USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=20 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 66:sc= 0.0301 USER MOD Set 1.2: A 850 ASN : amide:sc= -0.825! C(o=-5.5!,f=-22!) USER MOD Set 1.3: A 853 GLN : amide:sc= -4.67! C(o=-5.5!,f=-10!) USER MOD Set 2.1: A 824 HIS : no HD1:sc= -0.0103 K(o=-3.4,f=-8.7!) USER MOD Set 2.2: A 856 GLN : amide:sc= -3.41! C(o=-3.4!,f=-8.8!) USER MOD Set 3.1: A 821 CYS SG : rot 65:sc= 0.203 USER MOD Set 3.2: A 861 MET CE :methyl 147:sc= -0.132 (180deg=-0.729) USER MOD Single : A 801 HIS : no HE2:sc= -4.74! C(o=-4.7!,f=-6.5!) USER MOD Single : A 802 LYS NZ :NH3+ -161:sc= -0.347 (180deg=-0.834) 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= -0.884 USER MOD Single : A 813 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 814 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 822 LYS NZ :NH3+ -115:sc= 0.164 (180deg=0) USER MOD Single : A 828 LYS NZ :NH3+ -117:sc= -0.254 (180deg=-1.68!) USER MOD Single : A 834 THR OG1 : rot 180:sc= 0 USER MOD Single : A 835 ASN : amide:sc= -6.32! K(o=-6.3!,f=0.17) 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 -77:sc= 0.119 USER MOD Single : A 848 TYR OH : rot -166:sc= 1.09 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 859 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 860 LYS NZ :NH3+ -111:sc= -1.55 (180deg=-3.28!) USER MOD Single : A 864 MET CE :methyl -121:sc= -4.08! (180deg=-11.1!) USER MOD Single : A 865 THR OG1 : rot 180:sc= 0 USER MOD Single : A 867 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 869 ASN : amide:sc= -1.25 K(o=-1.2,f=-2.8!) USER MOD Single : A 872 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 876 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 239 N HIS A 801 0.566 0.392 -8.884 1.00 0.00 N ATOM 240 CA HIS A 801 -0.581 1.122 -8.357 1.00 0.00 C ATOM 241 C HIS A 801 -0.801 0.796 -6.882 1.00 0.00 C ATOM 242 O HIS A 801 -1.048 1.687 -6.069 1.00 0.00 O ATOM 243 CB HIS A 801 -1.839 0.785 -9.158 1.00 0.00 C ATOM 244 CG HIS A 801 -2.345 -0.605 -8.922 1.00 0.00 C ATOM 245 ND1 HIS A 801 -1.705 -1.730 -9.399 1.00 0.00 N ATOM 246 CD2 HIS A 801 -3.435 -1.049 -8.254 1.00 0.00 C ATOM 247 CE1 HIS A 801 -2.381 -2.805 -9.036 1.00 0.00 C ATOM 248 NE2 HIS A 801 -3.435 -2.420 -8.339 1.00 0.00 N ATOM 0 HA HIS A 801 -0.375 2.188 -8.449 1.00 0.00 H new ATOM 0 HB2 HIS A 801 -2.624 1.497 -8.903 1.00 0.00 H new ATOM 0 HB3 HIS A 801 -1.628 0.911 -10.220 1.00 0.00 H new ATOM 0 HD1 HIS A 801 -0.844 -1.731 -9.946 1.00 0.00 H new ATOM 0 HD2 HIS A 801 -4.169 -0.439 -7.748 1.00 0.00 H new ATOM 0 HE1 HIS A 801 -2.117 -3.826 -9.269 1.00 0.00 H new ATOM 256 N LYS A 802 -0.709 -0.485 -6.544 1.00 0.00 N ATOM 257 CA LYS A 802 -0.896 -0.929 -5.168 1.00 0.00 C ATOM 258 C LYS A 802 0.093 -0.240 -4.234 1.00 0.00 C ATOM 259 O LYS A 802 1.110 0.296 -4.677 1.00 0.00 O ATOM 260 CB LYS A 802 -0.731 -2.448 -5.073 1.00 0.00 C ATOM 261 CG LYS A 802 -1.693 -3.221 -5.958 1.00 0.00 C ATOM 262 CD LYS A 802 -2.016 -4.585 -5.372 1.00 0.00 C ATOM 263 CE LYS A 802 -3.227 -4.526 -4.454 1.00 0.00 C ATOM 264 NZ LYS A 802 -2.879 -3.986 -3.111 1.00 0.00 N ATOM 0 H LYS A 802 -0.506 -1.235 -7.205 1.00 0.00 H new ATOM 0 HA LYS A 802 -1.906 -0.660 -4.860 1.00 0.00 H new ATOM 0 HB2 LYS A 802 0.291 -2.712 -5.345 1.00 0.00 H new ATOM 0 HB3 LYS A 802 -0.875 -2.757 -4.038 1.00 0.00 H new ATOM 0 HG2 LYS A 802 -2.613 -2.650 -6.082 1.00 0.00 H new ATOM 0 HG3 LYS A 802 -1.258 -3.344 -6.950 1.00 0.00 H new ATOM 0 HD2 LYS A 802 -2.204 -5.293 -6.179 1.00 0.00 H new ATOM 0 HD3 LYS A 802 -1.155 -4.956 -4.816 1.00 0.00 H new ATOM 0 HE2 LYS A 802 -3.997 -3.902 -4.908 1.00 0.00 H new ATOM 0 HE3 LYS A 802 -3.649 -5.525 -4.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 802 -3.617 -4.252 -2.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 802 -1.966 -4.379 -2.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 802 -2.811 -2.949 -3.161 1.00 0.00 H new ATOM 278 N LEU A 803 -0.209 -0.259 -2.941 1.00 0.00 N ATOM 279 CA LEU A 803 0.655 0.363 -1.944 1.00 0.00 C ATOM 280 C LEU A 803 0.931 -0.594 -0.788 1.00 0.00 C ATOM 281 O LEU A 803 0.111 -1.458 -0.475 1.00 0.00 O ATOM 282 CB LEU A 803 0.015 1.648 -1.415 1.00 0.00 C ATOM 283 CG LEU A 803 -0.429 2.660 -2.471 1.00 0.00 C ATOM 284 CD1 LEU A 803 -1.367 3.691 -1.862 1.00 0.00 C ATOM 285 CD2 LEU A 803 0.779 3.341 -3.099 1.00 0.00 C ATOM 0 H LEU A 803 -1.046 -0.699 -2.558 1.00 0.00 H new ATOM 0 HA LEU A 803 1.603 0.607 -2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 803 -0.852 1.377 -0.813 1.00 0.00 H new ATOM 0 HB3 LEU A 803 0.726 2.137 -0.748 1.00 0.00 H new ATOM 0 HG LEU A 803 -0.968 2.126 -3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 803 -1.672 4.403 -2.629 1.00 0.00 H new ATOM 0 HD12 LEU A 803 -2.248 3.190 -1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 803 -0.854 4.220 -1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 803 0.444 4.058 -3.848 1.00 0.00 H new ATOM 0 HD22 LEU A 803 1.346 3.861 -2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 803 1.414 2.592 -3.572 1.00 0.00 H new ATOM 297 N PHE A 804 2.089 -0.433 -0.156 1.00 0.00 N ATOM 298 CA PHE A 804 2.472 -1.282 0.966 1.00 0.00 C ATOM 299 C PHE A 804 2.849 -0.440 2.181 1.00 0.00 C ATOM 300 O PHE A 804 3.971 0.059 2.279 1.00 0.00 O ATOM 301 CB PHE A 804 3.643 -2.185 0.573 1.00 0.00 C ATOM 302 CG PHE A 804 4.364 -2.777 1.750 1.00 0.00 C ATOM 303 CD1 PHE A 804 3.961 -3.989 2.288 1.00 0.00 C ATOM 304 CD2 PHE A 804 5.444 -2.122 2.318 1.00 0.00 C ATOM 305 CE1 PHE A 804 4.623 -4.537 3.371 1.00 0.00 C ATOM 306 CE2 PHE A 804 6.110 -2.665 3.401 1.00 0.00 C ATOM 307 CZ PHE A 804 5.698 -3.874 3.928 1.00 0.00 C ATOM 0 H PHE A 804 2.778 0.278 -0.402 1.00 0.00 H new ATOM 0 HA PHE A 804 1.616 -1.903 1.229 1.00 0.00 H new ATOM 0 HB2 PHE A 804 3.273 -2.992 -0.060 1.00 0.00 H new ATOM 0 HB3 PHE A 804 4.350 -1.610 -0.025 1.00 0.00 H new ATOM 0 HD1 PHE A 804 3.120 -4.511 1.856 1.00 0.00 H new ATOM 0 HD2 PHE A 804 5.770 -1.176 1.910 1.00 0.00 H new ATOM 0 HE1 PHE A 804 4.300 -5.482 3.781 1.00 0.00 H new ATOM 0 HE2 PHE A 804 6.951 -2.145 3.835 1.00 0.00 H new ATOM 0 HZ PHE A 804 6.216 -4.300 4.775 1.00 0.00 H new ATOM 317 N ILE A 805 1.905 -0.286 3.103 1.00 0.00 N ATOM 318 CA ILE A 805 2.139 0.495 4.311 1.00 0.00 C ATOM 319 C ILE A 805 2.555 -0.401 5.473 1.00 0.00 C ATOM 320 O ILE A 805 2.054 -1.516 5.621 1.00 0.00 O ATOM 321 CB ILE A 805 0.885 1.292 4.717 1.00 0.00 C ATOM 322 CG1 ILE A 805 0.257 1.957 3.490 1.00 0.00 C ATOM 323 CG2 ILE A 805 1.237 2.334 5.768 1.00 0.00 C ATOM 324 CD1 ILE A 805 -0.809 2.974 3.833 1.00 0.00 C ATOM 0 H ILE A 805 0.971 -0.692 3.037 1.00 0.00 H new ATOM 0 HA ILE A 805 2.946 1.192 4.085 1.00 0.00 H new ATOM 0 HB ILE A 805 0.158 0.603 5.146 1.00 0.00 H new ATOM 0 HG12 ILE A 805 1.041 2.445 2.911 1.00 0.00 H new ATOM 0 HG13 ILE A 805 -0.178 1.187 2.853 1.00 0.00 H new ATOM 0 HG21 ILE A 805 0.341 2.889 6.045 1.00 0.00 H new ATOM 0 HG22 ILE A 805 1.644 1.839 6.650 1.00 0.00 H new ATOM 0 HG23 ILE A 805 1.979 3.022 5.364 1.00 0.00 H new ATOM 0 HD11 ILE A 805 -1.210 3.405 2.915 1.00 0.00 H new ATOM 0 HD12 ILE A 805 -1.612 2.487 4.386 1.00 0.00 H new ATOM 0 HD13 ILE A 805 -0.374 3.764 4.445 1.00 0.00 H new ATOM 336 N SER A 806 3.474 0.095 6.295 1.00 0.00 N ATOM 337 CA SER A 806 3.960 -0.662 7.443 1.00 0.00 C ATOM 338 C SER A 806 4.220 0.260 8.631 1.00 0.00 C ATOM 339 O SER A 806 4.546 1.434 8.460 1.00 0.00 O ATOM 340 CB SER A 806 5.241 -1.415 7.079 1.00 0.00 C ATOM 341 OG SER A 806 6.266 -0.519 6.686 1.00 0.00 O ATOM 0 H SER A 806 3.897 1.017 6.188 1.00 0.00 H new ATOM 0 HA SER A 806 3.191 -1.381 7.724 1.00 0.00 H new ATOM 0 HB2 SER A 806 5.576 -2.003 7.933 1.00 0.00 H new ATOM 0 HB3 SER A 806 5.037 -2.116 6.270 1.00 0.00 H new ATOM 0 HG SER A 806 7.074 -1.025 6.460 1.00 0.00 H new ATOM 347 N GLY A 807 4.072 -0.281 9.836 1.00 0.00 N ATOM 348 CA GLY A 807 4.294 0.506 11.035 1.00 0.00 C ATOM 349 C GLY A 807 3.021 1.147 11.551 1.00 0.00 C ATOM 350 O GLY A 807 3.067 2.053 12.385 1.00 0.00 O ATOM 0 H GLY A 807 3.802 -1.250 10.004 1.00 0.00 H new ATOM 0 HA2 GLY A 807 4.717 -0.132 11.811 1.00 0.00 H new ATOM 0 HA3 GLY A 807 5.029 1.283 10.825 1.00 0.00 H new ATOM 354 N LEU A 808 1.881 0.679 11.055 1.00 0.00 N ATOM 355 CA LEU A 808 0.589 1.214 11.470 1.00 0.00 C ATOM 356 C LEU A 808 0.215 0.715 12.862 1.00 0.00 C ATOM 357 O LEU A 808 0.462 -0.436 13.223 1.00 0.00 O ATOM 358 CB LEU A 808 -0.495 0.819 10.466 1.00 0.00 C ATOM 359 CG LEU A 808 -0.353 1.404 9.060 1.00 0.00 C ATOM 360 CD1 LEU A 808 -1.277 0.688 8.088 1.00 0.00 C ATOM 361 CD2 LEU A 808 -0.644 2.898 9.073 1.00 0.00 C ATOM 0 H LEU A 808 1.825 -0.070 10.365 1.00 0.00 H new ATOM 0 HA LEU A 808 0.667 2.301 11.502 1.00 0.00 H new ATOM 0 HB2 LEU A 808 -0.509 -0.268 10.386 1.00 0.00 H new ATOM 0 HB3 LEU A 808 -1.462 1.122 10.868 1.00 0.00 H new ATOM 0 HG LEU A 808 0.675 1.256 8.728 1.00 0.00 H new ATOM 0 HD11 LEU A 808 -1.162 1.118 7.093 1.00 0.00 H new ATOM 0 HD12 LEU A 808 -1.022 -0.371 8.057 1.00 0.00 H new ATOM 0 HD13 LEU A 808 -2.310 0.803 8.416 1.00 0.00 H new ATOM 0 HD21 LEU A 808 -0.538 3.298 8.065 1.00 0.00 H new ATOM 0 HD22 LEU A 808 -1.661 3.067 9.426 1.00 0.00 H new ATOM 0 HD23 LEU A 808 0.059 3.400 9.738 1.00 0.00 H new ATOM 373 N PRO A 809 -0.397 1.600 13.663 1.00 0.00 N ATOM 374 CA PRO A 809 -0.821 1.271 15.027 1.00 0.00 C ATOM 375 C PRO A 809 -1.991 0.293 15.051 1.00 0.00 C ATOM 376 O PRO A 809 -2.950 0.437 14.292 1.00 0.00 O ATOM 377 CB PRO A 809 -1.245 2.625 15.602 1.00 0.00 C ATOM 378 CG PRO A 809 -1.624 3.440 14.414 1.00 0.00 C ATOM 379 CD PRO A 809 -0.723 2.989 13.298 1.00 0.00 C ATOM 0 HA PRO A 809 -0.029 0.780 15.593 1.00 0.00 H new ATOM 0 HB2 PRO A 809 -2.082 2.517 16.292 1.00 0.00 H new ATOM 0 HB3 PRO A 809 -0.432 3.091 16.158 1.00 0.00 H new ATOM 0 HG2 PRO A 809 -2.672 3.288 14.155 1.00 0.00 H new ATOM 0 HG3 PRO A 809 -1.496 4.504 14.614 1.00 0.00 H new ATOM 0 HD2 PRO A 809 -1.223 3.044 12.331 1.00 0.00 H new ATOM 0 HD3 PRO A 809 0.172 3.607 13.229 1.00 0.00 H new ATOM 387 N PHE A 810 -1.905 -0.703 15.926 1.00 0.00 N ATOM 388 CA PHE A 810 -2.956 -1.707 16.048 1.00 0.00 C ATOM 389 C PHE A 810 -4.321 -1.046 16.217 1.00 0.00 C ATOM 390 O PHE A 810 -5.328 -1.537 15.706 1.00 0.00 O ATOM 391 CB PHE A 810 -2.674 -2.630 17.235 1.00 0.00 C ATOM 392 CG PHE A 810 -1.213 -2.913 17.440 1.00 0.00 C ATOM 393 CD1 PHE A 810 -0.393 -3.208 16.364 1.00 0.00 C ATOM 394 CD2 PHE A 810 -0.660 -2.883 18.711 1.00 0.00 C ATOM 395 CE1 PHE A 810 0.952 -3.468 16.549 1.00 0.00 C ATOM 396 CE2 PHE A 810 0.684 -3.142 18.902 1.00 0.00 C ATOM 397 CZ PHE A 810 1.491 -3.436 17.820 1.00 0.00 C ATOM 0 H PHE A 810 -1.118 -0.837 16.561 1.00 0.00 H new ATOM 0 HA PHE A 810 -2.968 -2.298 15.132 1.00 0.00 H new ATOM 0 HB2 PHE A 810 -3.079 -2.178 18.141 1.00 0.00 H new ATOM 0 HB3 PHE A 810 -3.201 -3.572 17.086 1.00 0.00 H new ATOM 0 HD1 PHE A 810 -0.809 -3.235 15.368 1.00 0.00 H new ATOM 0 HD2 PHE A 810 -1.286 -2.655 19.561 1.00 0.00 H new ATOM 0 HE1 PHE A 810 1.580 -3.696 15.701 1.00 0.00 H new ATOM 0 HE2 PHE A 810 1.103 -3.115 19.897 1.00 0.00 H new ATOM 0 HZ PHE A 810 2.541 -3.640 17.968 1.00 0.00 H new ATOM 407 N SER A 811 -4.347 0.070 16.938 1.00 0.00 N ATOM 408 CA SER A 811 -5.588 0.796 17.179 1.00 0.00 C ATOM 409 C SER A 811 -6.321 1.069 15.869 1.00 0.00 C ATOM 410 O SER A 811 -7.512 0.781 15.739 1.00 0.00 O ATOM 411 CB SER A 811 -5.301 2.115 17.900 1.00 0.00 C ATOM 412 OG SER A 811 -4.802 1.884 19.206 1.00 0.00 O ATOM 0 H SER A 811 -3.522 0.491 17.366 1.00 0.00 H new ATOM 0 HA SER A 811 -6.225 0.176 17.810 1.00 0.00 H new ATOM 0 HB2 SER A 811 -4.577 2.696 17.328 1.00 0.00 H new ATOM 0 HB3 SER A 811 -6.213 2.709 17.956 1.00 0.00 H new ATOM 0 HG SER A 811 -4.625 2.742 19.645 1.00 0.00 H new ATOM 418 N CYS A 812 -5.602 1.626 14.901 1.00 0.00 N ATOM 419 CA CYS A 812 -6.182 1.939 13.600 1.00 0.00 C ATOM 420 C CYS A 812 -6.885 0.720 13.011 1.00 0.00 C ATOM 421 O CYS A 812 -6.611 -0.417 13.398 1.00 0.00 O ATOM 422 CB CYS A 812 -5.099 2.431 12.640 1.00 0.00 C ATOM 423 SG CYS A 812 -5.740 3.169 11.119 1.00 0.00 S ATOM 0 H CYS A 812 -4.616 1.870 14.993 1.00 0.00 H new ATOM 0 HA CYS A 812 -6.919 2.730 13.739 1.00 0.00 H new ATOM 0 HB2 CYS A 812 -4.479 3.165 13.154 1.00 0.00 H new ATOM 0 HB3 CYS A 812 -4.451 1.594 12.380 1.00 0.00 H new ATOM 0 HG CYS A 812 -4.748 3.556 10.373 1.00 0.00 H new ATOM 429 N THR A 813 -7.795 0.964 12.073 1.00 0.00 N ATOM 430 CA THR A 813 -8.540 -0.112 11.432 1.00 0.00 C ATOM 431 C THR A 813 -8.771 0.182 9.955 1.00 0.00 C ATOM 432 O THR A 813 -8.601 1.315 9.503 1.00 0.00 O ATOM 433 CB THR A 813 -9.901 -0.339 12.118 1.00 0.00 C ATOM 434 OG1 THR A 813 -10.526 -1.515 11.590 1.00 0.00 O ATOM 435 CG2 THR A 813 -10.815 0.860 11.917 1.00 0.00 C ATOM 0 H THR A 813 -8.034 1.898 11.740 1.00 0.00 H new ATOM 0 HA THR A 813 -7.937 -1.015 11.529 1.00 0.00 H new ATOM 0 HB THR A 813 -9.727 -0.469 13.186 1.00 0.00 H new ATOM 0 HG1 THR A 813 -11.390 -1.653 12.032 1.00 0.00 H new ATOM 0 HG21 THR A 813 -11.770 0.676 12.410 1.00 0.00 H new ATOM 0 HG22 THR A 813 -10.350 1.748 12.346 1.00 0.00 H new ATOM 0 HG23 THR A 813 -10.981 1.016 10.851 1.00 0.00 H new ATOM 443 N LYS A 814 -9.161 -0.844 9.206 1.00 0.00 N ATOM 444 CA LYS A 814 -9.417 -0.695 7.778 1.00 0.00 C ATOM 445 C LYS A 814 -10.094 0.640 7.483 1.00 0.00 C ATOM 446 O LYS A 814 -9.574 1.454 6.720 1.00 0.00 O ATOM 447 CB LYS A 814 -10.292 -1.845 7.274 1.00 0.00 C ATOM 448 CG LYS A 814 -10.060 -2.191 5.813 1.00 0.00 C ATOM 449 CD LYS A 814 -11.193 -3.033 5.252 1.00 0.00 C ATOM 450 CE LYS A 814 -10.956 -4.516 5.490 1.00 0.00 C ATOM 451 NZ LYS A 814 -12.036 -5.353 4.897 1.00 0.00 N ATOM 0 H LYS A 814 -9.307 -1.788 9.564 1.00 0.00 H new ATOM 0 HA LYS A 814 -8.460 -0.719 7.258 1.00 0.00 H new ATOM 0 HB2 LYS A 814 -10.102 -2.729 7.883 1.00 0.00 H new ATOM 0 HB3 LYS A 814 -11.340 -1.581 7.414 1.00 0.00 H new ATOM 0 HG2 LYS A 814 -9.965 -1.274 5.232 1.00 0.00 H new ATOM 0 HG3 LYS A 814 -9.119 -2.732 5.711 1.00 0.00 H new ATOM 0 HD2 LYS A 814 -12.133 -2.735 5.716 1.00 0.00 H new ATOM 0 HD3 LYS A 814 -11.291 -2.846 4.183 1.00 0.00 H new ATOM 0 HE2 LYS A 814 -9.996 -4.804 5.061 1.00 0.00 H new ATOM 0 HE3 LYS A 814 -10.896 -4.707 6.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 814 -11.838 -6.357 5.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 814 -12.949 -5.096 5.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 814 -12.077 -5.191 3.871 1.00 0.00 H new ATOM 465 N GLU A 815 -11.255 0.857 8.093 1.00 0.00 N ATOM 466 CA GLU A 815 -12.001 2.094 7.895 1.00 0.00 C ATOM 467 C GLU A 815 -11.074 3.305 7.957 1.00 0.00 C ATOM 468 O GLU A 815 -10.859 3.986 6.955 1.00 0.00 O ATOM 469 CB GLU A 815 -13.102 2.226 8.949 1.00 0.00 C ATOM 470 CG GLU A 815 -14.071 1.056 8.968 1.00 0.00 C ATOM 471 CD GLU A 815 -15.456 1.453 9.440 1.00 0.00 C ATOM 472 OE1 GLU A 815 -15.578 1.922 10.591 1.00 0.00 O ATOM 473 OE2 GLU A 815 -16.418 1.295 8.660 1.00 0.00 O ATOM 0 H GLU A 815 -11.699 0.193 8.728 1.00 0.00 H new ATOM 0 HA GLU A 815 -12.457 2.058 6.906 1.00 0.00 H new ATOM 0 HB2 GLU A 815 -12.642 2.322 9.933 1.00 0.00 H new ATOM 0 HB3 GLU A 815 -13.659 3.145 8.767 1.00 0.00 H new ATOM 0 HG2 GLU A 815 -14.141 0.630 7.967 1.00 0.00 H new ATOM 0 HG3 GLU A 815 -13.679 0.275 9.620 1.00 0.00 H new ATOM 480 N GLU A 816 -10.529 3.566 9.141 1.00 0.00 N ATOM 481 CA GLU A 816 -9.627 4.695 9.335 1.00 0.00 C ATOM 482 C GLU A 816 -8.693 4.855 8.139 1.00 0.00 C ATOM 483 O GLU A 816 -8.745 5.857 7.425 1.00 0.00 O ATOM 484 CB GLU A 816 -8.809 4.509 10.614 1.00 0.00 C ATOM 485 CG GLU A 816 -9.592 4.793 11.884 1.00 0.00 C ATOM 486 CD GLU A 816 -9.639 6.270 12.223 1.00 0.00 C ATOM 487 OE1 GLU A 816 -8.601 6.948 12.072 1.00 0.00 O ATOM 488 OE2 GLU A 816 -10.715 6.749 12.639 1.00 0.00 O ATOM 0 H GLU A 816 -10.696 3.011 9.980 1.00 0.00 H new ATOM 0 HA GLU A 816 -10.230 5.598 9.427 1.00 0.00 H new ATOM 0 HB2 GLU A 816 -8.434 3.486 10.650 1.00 0.00 H new ATOM 0 HB3 GLU A 816 -7.940 5.166 10.578 1.00 0.00 H new ATOM 0 HG2 GLU A 816 -10.609 4.418 11.771 1.00 0.00 H new ATOM 0 HG3 GLU A 816 -9.142 4.248 12.714 1.00 0.00 H new ATOM 495 N LEU A 817 -7.837 3.861 7.927 1.00 0.00 N ATOM 496 CA LEU A 817 -6.890 3.890 6.818 1.00 0.00 C ATOM 497 C LEU A 817 -7.583 4.289 5.519 1.00 0.00 C ATOM 498 O LEU A 817 -7.203 5.267 4.876 1.00 0.00 O ATOM 499 CB LEU A 817 -6.223 2.523 6.654 1.00 0.00 C ATOM 500 CG LEU A 817 -4.896 2.510 5.894 1.00 0.00 C ATOM 501 CD1 LEU A 817 -3.891 3.437 6.560 1.00 0.00 C ATOM 502 CD2 LEU A 817 -4.345 1.095 5.809 1.00 0.00 C ATOM 0 H LEU A 817 -7.779 3.025 8.509 1.00 0.00 H new ATOM 0 HA LEU A 817 -6.127 4.635 7.045 1.00 0.00 H new ATOM 0 HB2 LEU A 817 -6.055 2.102 7.645 1.00 0.00 H new ATOM 0 HB3 LEU A 817 -6.920 1.861 6.140 1.00 0.00 H new ATOM 0 HG LEU A 817 -5.075 2.870 4.881 1.00 0.00 H new ATOM 0 HD11 LEU A 817 -2.953 3.415 6.006 1.00 0.00 H new ATOM 0 HD12 LEU A 817 -4.284 4.454 6.568 1.00 0.00 H new ATOM 0 HD13 LEU A 817 -3.715 3.108 7.584 1.00 0.00 H new ATOM 0 HD21 LEU A 817 -3.401 1.104 5.265 1.00 0.00 H new ATOM 0 HD22 LEU A 817 -4.181 0.707 6.814 1.00 0.00 H new ATOM 0 HD23 LEU A 817 -5.058 0.458 5.287 1.00 0.00 H new ATOM 514 N GLU A 818 -8.604 3.526 5.141 1.00 0.00 N ATOM 515 CA GLU A 818 -9.351 3.801 3.919 1.00 0.00 C ATOM 516 C GLU A 818 -9.710 5.281 3.823 1.00 0.00 C ATOM 517 O GLU A 818 -9.278 5.976 2.904 1.00 0.00 O ATOM 518 CB GLU A 818 -10.624 2.952 3.871 1.00 0.00 C ATOM 519 CG GLU A 818 -11.156 2.733 2.465 1.00 0.00 C ATOM 520 CD GLU A 818 -12.601 2.273 2.454 1.00 0.00 C ATOM 521 OE1 GLU A 818 -13.500 3.137 2.532 1.00 0.00 O ATOM 522 OE2 GLU A 818 -12.833 1.049 2.366 1.00 0.00 O ATOM 0 H GLU A 818 -8.932 2.713 5.663 1.00 0.00 H new ATOM 0 HA GLU A 818 -8.718 3.542 3.070 1.00 0.00 H new ATOM 0 HB2 GLU A 818 -10.422 1.984 4.329 1.00 0.00 H new ATOM 0 HB3 GLU A 818 -11.395 3.434 4.471 1.00 0.00 H new ATOM 0 HG2 GLU A 818 -11.069 3.661 1.899 1.00 0.00 H new ATOM 0 HG3 GLU A 818 -10.539 1.991 1.958 1.00 0.00 H new ATOM 529 N GLU A 819 -10.504 5.755 4.778 1.00 0.00 N ATOM 530 CA GLU A 819 -10.923 7.151 4.800 1.00 0.00 C ATOM 531 C GLU A 819 -9.752 8.075 4.475 1.00 0.00 C ATOM 532 O GLU A 819 -9.908 9.062 3.756 1.00 0.00 O ATOM 533 CB GLU A 819 -11.505 7.511 6.168 1.00 0.00 C ATOM 534 CG GLU A 819 -12.998 7.252 6.282 1.00 0.00 C ATOM 535 CD GLU A 819 -13.829 8.315 5.590 1.00 0.00 C ATOM 536 OE1 GLU A 819 -13.374 9.476 5.530 1.00 0.00 O ATOM 537 OE2 GLU A 819 -14.934 7.986 5.110 1.00 0.00 O ATOM 0 H GLU A 819 -10.870 5.193 5.546 1.00 0.00 H new ATOM 0 HA GLU A 819 -11.692 7.285 4.039 1.00 0.00 H new ATOM 0 HB2 GLU A 819 -10.986 6.938 6.936 1.00 0.00 H new ATOM 0 HB3 GLU A 819 -11.311 8.564 6.370 1.00 0.00 H new ATOM 0 HG2 GLU A 819 -13.228 6.278 5.850 1.00 0.00 H new ATOM 0 HG3 GLU A 819 -13.276 7.207 7.335 1.00 0.00 H new ATOM 544 N ILE A 820 -8.581 7.747 5.010 1.00 0.00 N ATOM 545 CA ILE A 820 -7.385 8.546 4.776 1.00 0.00 C ATOM 546 C ILE A 820 -6.876 8.371 3.349 1.00 0.00 C ATOM 547 O ILE A 820 -6.492 9.340 2.693 1.00 0.00 O ATOM 548 CB ILE A 820 -6.259 8.174 5.759 1.00 0.00 C ATOM 549 CG1 ILE A 820 -6.737 8.339 7.203 1.00 0.00 C ATOM 550 CG2 ILE A 820 -5.028 9.030 5.503 1.00 0.00 C ATOM 551 CD1 ILE A 820 -5.824 7.691 8.220 1.00 0.00 C ATOM 0 H ILE A 820 -8.435 6.934 5.608 1.00 0.00 H new ATOM 0 HA ILE A 820 -7.666 9.587 4.934 1.00 0.00 H new ATOM 0 HB ILE A 820 -5.991 7.129 5.602 1.00 0.00 H new ATOM 0 HG12 ILE A 820 -6.823 9.402 7.429 1.00 0.00 H new ATOM 0 HG13 ILE A 820 -7.735 7.911 7.298 1.00 0.00 H new ATOM 0 HG21 ILE A 820 -4.241 8.755 6.206 1.00 0.00 H new ATOM 0 HG22 ILE A 820 -4.677 8.868 4.484 1.00 0.00 H new ATOM 0 HG23 ILE A 820 -5.282 10.082 5.636 1.00 0.00 H new ATOM 0 HD11 ILE A 820 -6.225 7.848 9.221 1.00 0.00 H new ATOM 0 HD12 ILE A 820 -5.757 6.622 8.020 1.00 0.00 H new ATOM 0 HD13 ILE A 820 -4.831 8.136 8.153 1.00 0.00 H new ATOM 563 N CYS A 821 -6.879 7.130 2.874 1.00 0.00 N ATOM 564 CA CYS A 821 -6.419 6.828 1.523 1.00 0.00 C ATOM 565 C CYS A 821 -7.290 7.526 0.484 1.00 0.00 C ATOM 566 O CYS A 821 -6.794 8.289 -0.346 1.00 0.00 O ATOM 567 CB CYS A 821 -6.431 5.317 1.285 1.00 0.00 C ATOM 568 SG CYS A 821 -5.313 4.391 2.363 1.00 0.00 S ATOM 0 H CYS A 821 -7.195 6.318 3.404 1.00 0.00 H new ATOM 0 HA CYS A 821 -5.398 7.197 1.421 1.00 0.00 H new ATOM 0 HB2 CYS A 821 -7.446 4.946 1.427 1.00 0.00 H new ATOM 0 HB3 CYS A 821 -6.162 5.121 0.247 1.00 0.00 H new ATOM 0 HG CYS A 821 -5.714 4.494 3.595 1.00 0.00 H new ATOM 574 N LYS A 822 -8.590 7.259 0.533 1.00 0.00 N ATOM 575 CA LYS A 822 -9.531 7.861 -0.404 1.00 0.00 C ATOM 576 C LYS A 822 -9.394 9.380 -0.413 1.00 0.00 C ATOM 577 O LYS A 822 -9.846 10.048 -1.343 1.00 0.00 O ATOM 578 CB LYS A 822 -10.965 7.470 -0.040 1.00 0.00 C ATOM 579 CG LYS A 822 -11.402 7.964 1.328 1.00 0.00 C ATOM 580 CD LYS A 822 -12.899 8.217 1.378 1.00 0.00 C ATOM 581 CE LYS A 822 -13.689 6.936 1.159 1.00 0.00 C ATOM 582 NZ LYS A 822 -13.913 6.198 2.433 1.00 0.00 N ATOM 0 H LYS A 822 -9.017 6.629 1.212 1.00 0.00 H new ATOM 0 HA LYS A 822 -9.301 7.487 -1.402 1.00 0.00 H new ATOM 0 HB2 LYS A 822 -11.644 7.868 -0.794 1.00 0.00 H new ATOM 0 HB3 LYS A 822 -11.055 6.384 -0.071 1.00 0.00 H new ATOM 0 HG2 LYS A 822 -11.131 7.228 2.085 1.00 0.00 H new ATOM 0 HG3 LYS A 822 -10.869 8.883 1.571 1.00 0.00 H new ATOM 0 HD2 LYS A 822 -13.164 8.648 2.343 1.00 0.00 H new ATOM 0 HD3 LYS A 822 -13.171 8.948 0.617 1.00 0.00 H new ATOM 0 HE2 LYS A 822 -14.650 7.175 0.704 1.00 0.00 H new ATOM 0 HE3 LYS A 822 -13.155 6.295 0.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 822 -13.414 5.286 2.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 822 -13.551 6.761 3.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 822 -14.931 6.031 2.563 1.00 0.00 H new ATOM 596 N ALA A 823 -8.766 9.919 0.626 1.00 0.00 N ATOM 597 CA ALA A 823 -8.566 11.359 0.735 1.00 0.00 C ATOM 598 C ALA A 823 -7.680 11.877 -0.393 1.00 0.00 C ATOM 599 O ALA A 823 -7.857 12.999 -0.869 1.00 0.00 O ATOM 600 CB ALA A 823 -7.960 11.706 2.087 1.00 0.00 C ATOM 0 H ALA A 823 -8.387 9.380 1.405 1.00 0.00 H new ATOM 0 HA ALA A 823 -9.538 11.844 0.649 1.00 0.00 H new ATOM 0 HB1 ALA A 823 -7.816 12.784 2.155 1.00 0.00 H new ATOM 0 HB2 ALA A 823 -8.631 11.379 2.881 1.00 0.00 H new ATOM 0 HB3 ALA A 823 -6.998 11.204 2.194 1.00 0.00 H new ATOM 606 N HIS A 824 -6.726 11.054 -0.816 1.00 0.00 N ATOM 607 CA HIS A 824 -5.812 11.430 -1.889 1.00 0.00 C ATOM 608 C HIS A 824 -6.441 11.169 -3.254 1.00 0.00 C ATOM 609 O HIS A 824 -6.562 12.076 -4.076 1.00 0.00 O ATOM 610 CB HIS A 824 -4.499 10.658 -1.763 1.00 0.00 C ATOM 611 CG HIS A 824 -3.781 10.904 -0.471 1.00 0.00 C ATOM 612 ND1 HIS A 824 -3.383 12.157 -0.058 1.00 0.00 N ATOM 613 CD2 HIS A 824 -3.392 10.047 0.502 1.00 0.00 C ATOM 614 CE1 HIS A 824 -2.778 12.061 1.113 1.00 0.00 C ATOM 615 NE2 HIS A 824 -2.771 10.791 1.475 1.00 0.00 N ATOM 0 H HIS A 824 -6.566 10.123 -0.432 1.00 0.00 H new ATOM 0 HA HIS A 824 -5.607 12.497 -1.801 1.00 0.00 H new ATOM 0 HB2 HIS A 824 -4.703 9.592 -1.858 1.00 0.00 H new ATOM 0 HB3 HIS A 824 -3.845 10.932 -2.591 1.00 0.00 H new ATOM 0 HD2 HIS A 824 -3.542 8.978 0.511 1.00 0.00 H new ATOM 0 HE1 HIS A 824 -2.360 12.881 1.678 1.00 0.00 H new ATOM 0 HE2 HIS A 824 -2.370 10.423 2.337 1.00 0.00 H new ATOM 623 N GLY A 825 -6.838 9.922 -3.489 1.00 0.00 N ATOM 624 CA GLY A 825 -7.448 9.564 -4.756 1.00 0.00 C ATOM 625 C GLY A 825 -8.643 8.648 -4.586 1.00 0.00 C ATOM 626 O GLY A 825 -9.536 8.921 -3.783 1.00 0.00 O ATOM 0 H GLY A 825 -6.748 9.153 -2.824 1.00 0.00 H new ATOM 0 HA2 GLY A 825 -7.760 10.471 -5.274 1.00 0.00 H new ATOM 0 HA3 GLY A 825 -6.706 9.075 -5.387 1.00 0.00 H new ATOM 630 N THR A 826 -8.664 7.556 -5.345 1.00 0.00 N ATOM 631 CA THR A 826 -9.760 6.598 -5.276 1.00 0.00 C ATOM 632 C THR A 826 -9.258 5.216 -4.873 1.00 0.00 C ATOM 633 O THR A 826 -8.387 4.645 -5.529 1.00 0.00 O ATOM 634 CB THR A 826 -10.497 6.491 -6.625 1.00 0.00 C ATOM 635 OG1 THR A 826 -10.955 7.783 -7.037 1.00 0.00 O ATOM 636 CG2 THR A 826 -11.678 5.537 -6.521 1.00 0.00 C ATOM 0 H THR A 826 -7.934 7.314 -6.015 1.00 0.00 H new ATOM 0 HA THR A 826 -10.453 6.964 -4.519 1.00 0.00 H new ATOM 0 HB THR A 826 -9.799 6.101 -7.366 1.00 0.00 H new ATOM 0 HG1 THR A 826 -10.184 8.357 -7.229 1.00 0.00 H new ATOM 0 HG21 THR A 826 -12.183 5.477 -7.485 1.00 0.00 H new ATOM 0 HG22 THR A 826 -11.322 4.547 -6.236 1.00 0.00 H new ATOM 0 HG23 THR A 826 -12.376 5.903 -5.768 1.00 0.00 H new ATOM 644 N VAL A 827 -9.814 4.683 -3.789 1.00 0.00 N ATOM 645 CA VAL A 827 -9.424 3.367 -3.299 1.00 0.00 C ATOM 646 C VAL A 827 -10.280 2.271 -3.925 1.00 0.00 C ATOM 647 O VAL A 827 -11.461 2.133 -3.605 1.00 0.00 O ATOM 648 CB VAL A 827 -9.540 3.281 -1.766 1.00 0.00 C ATOM 649 CG1 VAL A 827 -9.099 1.912 -1.272 1.00 0.00 C ATOM 650 CG2 VAL A 827 -8.723 4.383 -1.108 1.00 0.00 C ATOM 0 H VAL A 827 -10.536 5.143 -3.234 1.00 0.00 H new ATOM 0 HA VAL A 827 -8.383 3.219 -3.586 1.00 0.00 H new ATOM 0 HB VAL A 827 -10.585 3.420 -1.490 1.00 0.00 H new ATOM 0 HG11 VAL A 827 -9.188 1.871 -0.186 1.00 0.00 H new ATOM 0 HG12 VAL A 827 -9.731 1.144 -1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 827 -8.061 1.739 -1.558 1.00 0.00 H new ATOM 0 HG21 VAL A 827 -8.816 4.308 -0.025 1.00 0.00 H new ATOM 0 HG22 VAL A 827 -7.676 4.277 -1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 827 -9.091 5.355 -1.437 1.00 0.00 H new ATOM 660 N LYS A 828 -9.677 1.494 -4.817 1.00 0.00 N ATOM 661 CA LYS A 828 -10.383 0.408 -5.488 1.00 0.00 C ATOM 662 C LYS A 828 -10.600 -0.767 -4.540 1.00 0.00 C ATOM 663 O LYS A 828 -11.643 -1.420 -4.573 1.00 0.00 O ATOM 664 CB LYS A 828 -9.600 -0.053 -6.719 1.00 0.00 C ATOM 665 CG LYS A 828 -9.420 1.031 -7.767 1.00 0.00 C ATOM 666 CD LYS A 828 -10.732 1.366 -8.455 1.00 0.00 C ATOM 667 CE LYS A 828 -11.057 0.364 -9.553 1.00 0.00 C ATOM 668 NZ LYS A 828 -11.854 -0.784 -9.039 1.00 0.00 N ATOM 0 H LYS A 828 -8.700 1.596 -5.093 1.00 0.00 H new ATOM 0 HA LYS A 828 -11.357 0.781 -5.804 1.00 0.00 H new ATOM 0 HB2 LYS A 828 -8.619 -0.408 -6.403 1.00 0.00 H new ATOM 0 HB3 LYS A 828 -10.115 -0.901 -7.170 1.00 0.00 H new ATOM 0 HG2 LYS A 828 -9.015 1.928 -7.298 1.00 0.00 H new ATOM 0 HG3 LYS A 828 -8.692 0.703 -8.509 1.00 0.00 H new ATOM 0 HD2 LYS A 828 -11.537 1.376 -7.720 1.00 0.00 H new ATOM 0 HD3 LYS A 828 -10.676 2.368 -8.880 1.00 0.00 H new ATOM 0 HE2 LYS A 828 -11.611 0.863 -10.348 1.00 0.00 H new ATOM 0 HE3 LYS A 828 -10.131 -0.005 -9.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 828 -11.309 -1.663 -9.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 828 -12.069 -0.635 -8.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 828 -12.742 -0.858 -9.575 1.00 0.00 H new ATOM 682 N ASP A 829 -9.609 -1.030 -3.695 1.00 0.00 N ATOM 683 CA ASP A 829 -9.692 -2.126 -2.736 1.00 0.00 C ATOM 684 C ASP A 829 -8.609 -1.998 -1.670 1.00 0.00 C ATOM 685 O ASP A 829 -7.471 -1.631 -1.966 1.00 0.00 O ATOM 686 CB ASP A 829 -9.564 -3.471 -3.453 1.00 0.00 C ATOM 687 CG ASP A 829 -10.867 -3.916 -4.087 1.00 0.00 C ATOM 688 OD1 ASP A 829 -11.868 -4.047 -3.354 1.00 0.00 O ATOM 689 OD2 ASP A 829 -10.885 -4.133 -5.317 1.00 0.00 O ATOM 0 H ASP A 829 -8.739 -0.499 -3.655 1.00 0.00 H new ATOM 0 HA ASP A 829 -10.665 -2.076 -2.247 1.00 0.00 H new ATOM 0 HB2 ASP A 829 -8.796 -3.397 -4.223 1.00 0.00 H new ATOM 0 HB3 ASP A 829 -9.232 -4.228 -2.742 1.00 0.00 H new ATOM 694 N LEU A 830 -8.969 -2.302 -0.428 1.00 0.00 N ATOM 695 CA LEU A 830 -8.028 -2.220 0.684 1.00 0.00 C ATOM 696 C LEU A 830 -7.971 -3.540 1.447 1.00 0.00 C ATOM 697 O LEU A 830 -9.004 -4.125 1.773 1.00 0.00 O ATOM 698 CB LEU A 830 -8.425 -1.087 1.632 1.00 0.00 C ATOM 699 CG LEU A 830 -7.303 -0.509 2.494 1.00 0.00 C ATOM 700 CD1 LEU A 830 -7.686 0.866 3.018 1.00 0.00 C ATOM 701 CD2 LEU A 830 -6.978 -1.449 3.646 1.00 0.00 C ATOM 0 H LEU A 830 -9.906 -2.608 -0.165 1.00 0.00 H new ATOM 0 HA LEU A 830 -7.039 -2.014 0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 830 -8.854 -0.279 1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 830 -9.212 -1.452 2.292 1.00 0.00 H new ATOM 0 HG LEU A 830 -6.413 -0.404 1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 830 -6.875 1.261 3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 830 -7.868 1.537 2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 830 -8.590 0.786 3.622 1.00 0.00 H new ATOM 0 HD21 LEU A 830 -6.177 -1.022 4.249 1.00 0.00 H new ATOM 0 HD22 LEU A 830 -7.865 -1.586 4.265 1.00 0.00 H new ATOM 0 HD23 LEU A 830 -6.659 -2.413 3.250 1.00 0.00 H new ATOM 713 N ARG A 831 -6.757 -4.002 1.729 1.00 0.00 N ATOM 714 CA ARG A 831 -6.565 -5.252 2.455 1.00 0.00 C ATOM 715 C ARG A 831 -5.606 -5.059 3.626 1.00 0.00 C ATOM 716 O ARG A 831 -4.678 -4.252 3.556 1.00 0.00 O ATOM 717 CB ARG A 831 -6.029 -6.334 1.516 1.00 0.00 C ATOM 718 CG ARG A 831 -5.856 -7.688 2.184 1.00 0.00 C ATOM 719 CD ARG A 831 -7.127 -8.520 2.095 1.00 0.00 C ATOM 720 NE ARG A 831 -8.037 -8.249 3.204 1.00 0.00 N ATOM 721 CZ ARG A 831 -7.862 -8.727 4.431 1.00 0.00 C ATOM 722 NH1 ARG A 831 -6.816 -9.495 4.705 1.00 0.00 N ATOM 723 NH2 ARG A 831 -8.734 -8.436 5.388 1.00 0.00 N ATOM 0 H ARG A 831 -5.892 -3.530 1.466 1.00 0.00 H new ATOM 0 HA ARG A 831 -7.532 -5.567 2.848 1.00 0.00 H new ATOM 0 HB2 ARG A 831 -6.709 -6.439 0.671 1.00 0.00 H new ATOM 0 HB3 ARG A 831 -5.069 -6.011 1.114 1.00 0.00 H new ATOM 0 HG2 ARG A 831 -5.034 -8.226 1.711 1.00 0.00 H new ATOM 0 HG3 ARG A 831 -5.585 -7.547 3.230 1.00 0.00 H new ATOM 0 HD2 ARG A 831 -7.632 -8.310 1.152 1.00 0.00 H new ATOM 0 HD3 ARG A 831 -6.868 -9.579 2.089 1.00 0.00 H new ATOM 0 HE ARG A 831 -8.851 -7.661 3.027 1.00 0.00 H new ATOM 0 HH11 ARG A 831 -6.143 -9.720 3.973 1.00 0.00 H new ATOM 0 HH12 ARG A 831 -6.685 -9.860 5.648 1.00 0.00 H new ATOM 0 HH21 ARG A 831 -9.539 -7.845 5.182 1.00 0.00 H new ATOM 0 HH22 ARG A 831 -8.599 -8.803 6.330 1.00 0.00 H new ATOM 737 N LEU A 832 -5.837 -5.803 4.702 1.00 0.00 N ATOM 738 CA LEU A 832 -4.994 -5.714 5.889 1.00 0.00 C ATOM 739 C LEU A 832 -4.262 -7.029 6.137 1.00 0.00 C ATOM 740 O LEU A 832 -4.882 -8.087 6.242 1.00 0.00 O ATOM 741 CB LEU A 832 -5.838 -5.349 7.111 1.00 0.00 C ATOM 742 CG LEU A 832 -6.748 -4.129 6.960 1.00 0.00 C ATOM 743 CD1 LEU A 832 -7.816 -4.122 8.042 1.00 0.00 C ATOM 744 CD2 LEU A 832 -5.930 -2.846 7.005 1.00 0.00 C ATOM 0 H LEU A 832 -6.601 -6.475 4.777 1.00 0.00 H new ATOM 0 HA LEU A 832 -4.253 -4.933 5.720 1.00 0.00 H new ATOM 0 HB2 LEU A 832 -6.456 -6.208 7.370 1.00 0.00 H new ATOM 0 HB3 LEU A 832 -5.167 -5.174 7.952 1.00 0.00 H new ATOM 0 HG LEU A 832 -7.244 -4.186 5.991 1.00 0.00 H new ATOM 0 HD11 LEU A 832 -8.454 -3.247 7.918 1.00 0.00 H new ATOM 0 HD12 LEU A 832 -8.421 -5.026 7.962 1.00 0.00 H new ATOM 0 HD13 LEU A 832 -7.341 -4.089 9.022 1.00 0.00 H new ATOM 0 HD21 LEU A 832 -6.593 -1.988 6.896 1.00 0.00 H new ATOM 0 HD22 LEU A 832 -5.407 -2.781 7.959 1.00 0.00 H new ATOM 0 HD23 LEU A 832 -5.204 -2.849 6.192 1.00 0.00 H new ATOM 756 N VAL A 833 -2.938 -6.954 6.231 1.00 0.00 N ATOM 757 CA VAL A 833 -2.121 -8.138 6.470 1.00 0.00 C ATOM 758 C VAL A 833 -2.277 -8.634 7.903 1.00 0.00 C ATOM 759 O VAL A 833 -1.674 -8.090 8.830 1.00 0.00 O ATOM 760 CB VAL A 833 -0.632 -7.857 6.195 1.00 0.00 C ATOM 761 CG1 VAL A 833 0.210 -9.086 6.502 1.00 0.00 C ATOM 762 CG2 VAL A 833 -0.431 -7.409 4.755 1.00 0.00 C ATOM 0 H VAL A 833 -2.409 -6.086 6.145 1.00 0.00 H new ATOM 0 HA VAL A 833 -2.471 -8.908 5.782 1.00 0.00 H new ATOM 0 HB VAL A 833 -0.306 -7.050 6.851 1.00 0.00 H new ATOM 0 HG11 VAL A 833 1.259 -8.868 6.301 1.00 0.00 H new ATOM 0 HG12 VAL A 833 0.090 -9.357 7.551 1.00 0.00 H new ATOM 0 HG13 VAL A 833 -0.114 -9.916 5.874 1.00 0.00 H new ATOM 0 HG21 VAL A 833 0.627 -7.215 4.579 1.00 0.00 H new ATOM 0 HG22 VAL A 833 -0.774 -8.192 4.079 1.00 0.00 H new ATOM 0 HG23 VAL A 833 -1.002 -6.498 4.574 1.00 0.00 H new ATOM 772 N THR A 834 -3.091 -9.670 8.080 1.00 0.00 N ATOM 773 CA THR A 834 -3.328 -10.239 9.401 1.00 0.00 C ATOM 774 C THR A 834 -2.747 -11.645 9.506 1.00 0.00 C ATOM 775 O THR A 834 -2.415 -12.266 8.497 1.00 0.00 O ATOM 776 CB THR A 834 -4.832 -10.292 9.729 1.00 0.00 C ATOM 777 OG1 THR A 834 -5.545 -10.921 8.658 1.00 0.00 O ATOM 778 CG2 THR A 834 -5.384 -8.893 9.959 1.00 0.00 C ATOM 0 H THR A 834 -3.597 -10.132 7.325 1.00 0.00 H new ATOM 0 HA THR A 834 -2.830 -9.588 10.119 1.00 0.00 H new ATOM 0 HB THR A 834 -4.963 -10.873 10.642 1.00 0.00 H new ATOM 0 HG1 THR A 834 -6.500 -10.952 8.875 1.00 0.00 H new ATOM 0 HG21 THR A 834 -6.448 -8.955 10.189 1.00 0.00 H new ATOM 0 HG22 THR A 834 -4.859 -8.427 10.793 1.00 0.00 H new ATOM 0 HG23 THR A 834 -5.242 -8.293 9.060 1.00 0.00 H new ATOM 786 N ASN A 835 -2.627 -12.141 10.733 1.00 0.00 N ATOM 787 CA ASN A 835 -2.087 -13.474 10.969 1.00 0.00 C ATOM 788 C ASN A 835 -3.206 -14.475 11.241 1.00 0.00 C ATOM 789 O ASN A 835 -4.387 -14.141 11.148 1.00 0.00 O ATOM 790 CB ASN A 835 -1.111 -13.450 12.148 1.00 0.00 C ATOM 791 CG ASN A 835 -1.521 -12.456 13.217 1.00 0.00 C ATOM 792 OD1 ASN A 835 -0.681 -11.757 13.785 1.00 0.00 O ATOM 793 ND2 ASN A 835 -2.817 -12.388 13.496 1.00 0.00 N ATOM 0 H ASN A 835 -2.897 -11.639 11.579 1.00 0.00 H new ATOM 0 HA ASN A 835 -1.555 -13.787 10.071 1.00 0.00 H new ATOM 0 HB2 ASN A 835 -1.050 -14.446 12.586 1.00 0.00 H new ATOM 0 HB3 ASN A 835 -0.114 -13.199 11.786 1.00 0.00 H new ATOM 0 HD21 ASN A 835 -3.152 -11.737 14.206 1.00 0.00 H new ATOM 0 HD22 ASN A 835 -3.478 -12.986 13.000 1.00 0.00 H new ATOM 800 N ARG A 836 -2.825 -15.703 11.578 1.00 0.00 N ATOM 801 CA ARG A 836 -3.796 -16.753 11.862 1.00 0.00 C ATOM 802 C ARG A 836 -4.690 -16.362 13.035 1.00 0.00 C ATOM 803 O ARG A 836 -5.689 -17.025 13.315 1.00 0.00 O ATOM 804 CB ARG A 836 -3.080 -18.069 12.169 1.00 0.00 C ATOM 805 CG ARG A 836 -2.502 -18.749 10.938 1.00 0.00 C ATOM 806 CD ARG A 836 -3.536 -19.622 10.246 1.00 0.00 C ATOM 807 NE ARG A 836 -2.920 -20.727 9.516 1.00 0.00 N ATOM 808 CZ ARG A 836 -2.295 -20.581 8.353 1.00 0.00 C ATOM 809 NH1 ARG A 836 -2.204 -19.383 7.791 1.00 0.00 N ATOM 810 NH2 ARG A 836 -1.759 -21.634 7.749 1.00 0.00 N ATOM 0 H ARG A 836 -1.851 -15.995 11.661 1.00 0.00 H new ATOM 0 HA ARG A 836 -4.421 -16.885 10.979 1.00 0.00 H new ATOM 0 HB2 ARG A 836 -2.276 -17.878 12.880 1.00 0.00 H new ATOM 0 HB3 ARG A 836 -3.780 -18.749 12.655 1.00 0.00 H new ATOM 0 HG2 ARG A 836 -2.137 -17.994 10.242 1.00 0.00 H new ATOM 0 HG3 ARG A 836 -1.645 -19.358 11.226 1.00 0.00 H new ATOM 0 HD2 ARG A 836 -4.229 -20.019 10.987 1.00 0.00 H new ATOM 0 HD3 ARG A 836 -4.121 -19.013 9.556 1.00 0.00 H new ATOM 0 HE ARG A 836 -2.973 -21.662 9.921 1.00 0.00 H new ATOM 0 HH11 ARG A 836 -2.614 -18.571 8.252 1.00 0.00 H new ATOM 0 HH12 ARG A 836 -1.723 -19.274 6.898 1.00 0.00 H new ATOM 0 HH21 ARG A 836 -1.827 -22.557 8.178 1.00 0.00 H new ATOM 0 HH22 ARG A 836 -1.279 -21.520 6.856 1.00 0.00 H new ATOM 824 N ALA A 837 -4.324 -15.283 13.718 1.00 0.00 N ATOM 825 CA ALA A 837 -5.093 -14.803 14.860 1.00 0.00 C ATOM 826 C ALA A 837 -6.065 -13.704 14.444 1.00 0.00 C ATOM 827 O ALA A 837 -6.775 -13.142 15.277 1.00 0.00 O ATOM 828 CB ALA A 837 -4.160 -14.301 15.951 1.00 0.00 C ATOM 0 H ALA A 837 -3.499 -14.724 13.500 1.00 0.00 H new ATOM 0 HA ALA A 837 -5.675 -15.637 15.252 1.00 0.00 H new ATOM 0 HB1 ALA A 837 -4.748 -13.946 16.797 1.00 0.00 H new ATOM 0 HB2 ALA A 837 -3.510 -15.113 16.276 1.00 0.00 H new ATOM 0 HB3 ALA A 837 -3.552 -13.484 15.563 1.00 0.00 H new ATOM 834 N GLY A 838 -6.092 -13.402 13.150 1.00 0.00 N ATOM 835 CA GLY A 838 -6.980 -12.371 12.647 1.00 0.00 C ATOM 836 C GLY A 838 -6.673 -11.006 13.231 1.00 0.00 C ATOM 837 O GLY A 838 -7.557 -10.156 13.341 1.00 0.00 O ATOM 0 H GLY A 838 -5.514 -13.853 12.441 1.00 0.00 H new ATOM 0 HA2 GLY A 838 -6.900 -12.325 11.561 1.00 0.00 H new ATOM 0 HA3 GLY A 838 -8.011 -12.639 12.879 1.00 0.00 H new ATOM 841 N LYS A 839 -5.417 -10.795 13.609 1.00 0.00 N ATOM 842 CA LYS A 839 -4.994 -9.525 14.186 1.00 0.00 C ATOM 843 C LYS A 839 -4.075 -8.772 13.230 1.00 0.00 C ATOM 844 O LYS A 839 -3.263 -9.362 12.517 1.00 0.00 O ATOM 845 CB LYS A 839 -4.280 -9.759 15.519 1.00 0.00 C ATOM 846 CG LYS A 839 -5.075 -10.609 16.495 1.00 0.00 C ATOM 847 CD LYS A 839 -5.982 -9.756 17.366 1.00 0.00 C ATOM 848 CE LYS A 839 -6.934 -10.613 18.186 1.00 0.00 C ATOM 849 NZ LYS A 839 -7.326 -9.945 19.458 1.00 0.00 N ATOM 0 H LYS A 839 -4.673 -11.488 13.526 1.00 0.00 H new ATOM 0 HA LYS A 839 -5.884 -8.919 14.359 1.00 0.00 H new ATOM 0 HB2 LYS A 839 -3.321 -10.241 15.328 1.00 0.00 H new ATOM 0 HB3 LYS A 839 -4.066 -8.795 15.981 1.00 0.00 H new ATOM 0 HG2 LYS A 839 -5.674 -11.333 15.944 1.00 0.00 H new ATOM 0 HG3 LYS A 839 -4.391 -11.176 17.126 1.00 0.00 H new ATOM 0 HD2 LYS A 839 -5.376 -9.143 18.033 1.00 0.00 H new ATOM 0 HD3 LYS A 839 -6.554 -9.073 16.738 1.00 0.00 H new ATOM 0 HE2 LYS A 839 -7.827 -10.828 17.599 1.00 0.00 H new ATOM 0 HE3 LYS A 839 -6.461 -11.569 18.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 839 -7.975 -10.561 19.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 839 -6.477 -9.763 20.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 839 -7.800 -9.044 19.245 1.00 0.00 H new ATOM 863 N PRO A 840 -4.202 -7.437 13.213 1.00 0.00 N ATOM 864 CA PRO A 840 -3.389 -6.574 12.351 1.00 0.00 C ATOM 865 C PRO A 840 -1.929 -6.528 12.788 1.00 0.00 C ATOM 866 O PRO A 840 -1.620 -6.154 13.920 1.00 0.00 O ATOM 867 CB PRO A 840 -4.039 -5.198 12.510 1.00 0.00 C ATOM 868 CG PRO A 840 -4.699 -5.244 13.845 1.00 0.00 C ATOM 869 CD PRO A 840 -5.149 -6.666 14.036 1.00 0.00 C ATOM 0 HA PRO A 840 -3.366 -6.932 11.322 1.00 0.00 H new ATOM 0 HB2 PRO A 840 -3.297 -4.401 12.462 1.00 0.00 H new ATOM 0 HB3 PRO A 840 -4.762 -5.008 11.717 1.00 0.00 H new ATOM 0 HG2 PRO A 840 -4.008 -4.944 14.633 1.00 0.00 H new ATOM 0 HG3 PRO A 840 -5.545 -4.558 13.886 1.00 0.00 H new ATOM 0 HD2 PRO A 840 -5.106 -6.964 15.084 1.00 0.00 H new ATOM 0 HD3 PRO A 840 -6.178 -6.810 13.706 1.00 0.00 H new ATOM 877 N LYS A 841 -1.033 -6.909 11.884 1.00 0.00 N ATOM 878 CA LYS A 841 0.396 -6.909 12.175 1.00 0.00 C ATOM 879 C LYS A 841 1.033 -5.582 11.777 1.00 0.00 C ATOM 880 O LYS A 841 2.254 -5.474 11.674 1.00 0.00 O ATOM 881 CB LYS A 841 1.087 -8.060 11.439 1.00 0.00 C ATOM 882 CG LYS A 841 0.697 -9.434 11.956 1.00 0.00 C ATOM 883 CD LYS A 841 1.490 -10.533 11.270 1.00 0.00 C ATOM 884 CE LYS A 841 1.002 -10.768 9.848 1.00 0.00 C ATOM 885 NZ LYS A 841 2.023 -11.467 9.020 1.00 0.00 N ATOM 0 H LYS A 841 -1.271 -7.222 10.943 1.00 0.00 H new ATOM 0 HA LYS A 841 0.522 -7.044 13.249 1.00 0.00 H new ATOM 0 HB2 LYS A 841 0.846 -7.998 10.378 1.00 0.00 H new ATOM 0 HB3 LYS A 841 2.167 -7.941 11.528 1.00 0.00 H new ATOM 0 HG2 LYS A 841 0.865 -9.480 13.032 1.00 0.00 H new ATOM 0 HG3 LYS A 841 -0.368 -9.596 11.793 1.00 0.00 H new ATOM 0 HD2 LYS A 841 2.546 -10.265 11.254 1.00 0.00 H new ATOM 0 HD3 LYS A 841 1.404 -11.457 11.843 1.00 0.00 H new ATOM 0 HE2 LYS A 841 0.087 -11.359 9.871 1.00 0.00 H new ATOM 0 HE3 LYS A 841 0.753 -9.812 9.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 1.653 -11.608 8.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 2.888 -10.891 8.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 2.242 -12.390 9.446 1.00 0.00 H new ATOM 899 N GLY A 842 0.196 -4.572 11.555 1.00 0.00 N ATOM 900 CA GLY A 842 0.697 -3.265 11.172 1.00 0.00 C ATOM 901 C GLY A 842 0.803 -3.103 9.669 1.00 0.00 C ATOM 902 O GLY A 842 0.632 -2.003 9.141 1.00 0.00 O ATOM 0 H GLY A 842 -0.819 -4.636 11.634 1.00 0.00 H new ATOM 0 HA2 GLY A 842 0.037 -2.495 11.572 1.00 0.00 H new ATOM 0 HA3 GLY A 842 1.678 -3.109 11.621 1.00 0.00 H new ATOM 906 N LEU A 843 1.089 -4.200 8.976 1.00 0.00 N ATOM 907 CA LEU A 843 1.221 -4.174 7.523 1.00 0.00 C ATOM 908 C LEU A 843 -0.149 -4.180 6.852 1.00 0.00 C ATOM 909 O LEU A 843 -1.060 -4.886 7.284 1.00 0.00 O ATOM 910 CB LEU A 843 2.041 -5.374 7.044 1.00 0.00 C ATOM 911 CG LEU A 843 3.454 -5.491 7.615 1.00 0.00 C ATOM 912 CD1 LEU A 843 3.986 -6.905 7.439 1.00 0.00 C ATOM 913 CD2 LEU A 843 4.383 -4.484 6.952 1.00 0.00 C ATOM 0 H LEU A 843 1.234 -5.118 9.396 1.00 0.00 H new ATOM 0 HA LEU A 843 1.737 -3.255 7.246 1.00 0.00 H new ATOM 0 HB2 LEU A 843 1.494 -6.284 7.291 1.00 0.00 H new ATOM 0 HB3 LEU A 843 2.112 -5.330 5.957 1.00 0.00 H new ATOM 0 HG LEU A 843 3.413 -5.270 8.682 1.00 0.00 H new ATOM 0 HD11 LEU A 843 4.993 -6.969 7.851 1.00 0.00 H new ATOM 0 HD12 LEU A 843 3.335 -7.606 7.961 1.00 0.00 H new ATOM 0 HD13 LEU A 843 4.012 -7.155 6.378 1.00 0.00 H new ATOM 0 HD21 LEU A 843 5.384 -4.582 7.371 1.00 0.00 H new ATOM 0 HD22 LEU A 843 4.419 -4.673 5.879 1.00 0.00 H new ATOM 0 HD23 LEU A 843 4.012 -3.475 7.130 1.00 0.00 H new ATOM 925 N ALA A 844 -0.286 -3.391 5.792 1.00 0.00 N ATOM 926 CA ALA A 844 -1.543 -3.309 5.058 1.00 0.00 C ATOM 927 C ALA A 844 -1.302 -2.968 3.592 1.00 0.00 C ATOM 928 O ALA A 844 -0.311 -2.321 3.249 1.00 0.00 O ATOM 929 CB ALA A 844 -2.461 -2.277 5.698 1.00 0.00 C ATOM 0 H ALA A 844 0.458 -2.799 5.422 1.00 0.00 H new ATOM 0 HA ALA A 844 -2.025 -4.286 5.102 1.00 0.00 H new ATOM 0 HB1 ALA A 844 -3.396 -2.226 5.140 1.00 0.00 H new ATOM 0 HB2 ALA A 844 -2.669 -2.564 6.729 1.00 0.00 H new ATOM 0 HB3 ALA A 844 -1.976 -1.301 5.684 1.00 0.00 H new ATOM 935 N TYR A 845 -2.212 -3.407 2.730 1.00 0.00 N ATOM 936 CA TYR A 845 -2.096 -3.151 1.299 1.00 0.00 C ATOM 937 C TYR A 845 -3.275 -2.324 0.796 1.00 0.00 C ATOM 938 O TYR A 845 -4.423 -2.570 1.166 1.00 0.00 O ATOM 939 CB TYR A 845 -2.017 -4.470 0.528 1.00 0.00 C ATOM 940 CG TYR A 845 -0.630 -5.069 0.492 1.00 0.00 C ATOM 941 CD1 TYR A 845 -0.118 -5.752 1.588 1.00 0.00 C ATOM 942 CD2 TYR A 845 0.170 -4.952 -0.638 1.00 0.00 C ATOM 943 CE1 TYR A 845 1.150 -6.300 1.560 1.00 0.00 C ATOM 944 CE2 TYR A 845 1.438 -5.498 -0.676 1.00 0.00 C ATOM 945 CZ TYR A 845 1.924 -6.170 0.426 1.00 0.00 C ATOM 946 OH TYR A 845 3.187 -6.716 0.393 1.00 0.00 O ATOM 0 H TYR A 845 -3.038 -3.942 2.997 1.00 0.00 H new ATOM 0 HA TYR A 845 -1.180 -2.584 1.130 1.00 0.00 H new ATOM 0 HB2 TYR A 845 -2.702 -5.187 0.981 1.00 0.00 H new ATOM 0 HB3 TYR A 845 -2.359 -4.305 -0.494 1.00 0.00 H new ATOM 0 HD1 TYR A 845 -0.722 -5.856 2.477 1.00 0.00 H new ATOM 0 HD2 TYR A 845 -0.206 -4.425 -1.502 1.00 0.00 H new ATOM 0 HE1 TYR A 845 1.533 -6.827 2.421 1.00 0.00 H new ATOM 0 HE2 TYR A 845 2.045 -5.399 -1.563 1.00 0.00 H new ATOM 0 HH TYR A 845 3.803 -6.146 0.899 1.00 0.00 H new ATOM 956 N VAL A 846 -2.983 -1.343 -0.052 1.00 0.00 N ATOM 957 CA VAL A 846 -4.018 -0.480 -0.609 1.00 0.00 C ATOM 958 C VAL A 846 -3.994 -0.506 -2.133 1.00 0.00 C ATOM 959 O VAL A 846 -2.928 -0.562 -2.745 1.00 0.00 O ATOM 960 CB VAL A 846 -3.854 0.974 -0.128 1.00 0.00 C ATOM 961 CG1 VAL A 846 -4.961 1.851 -0.694 1.00 0.00 C ATOM 962 CG2 VAL A 846 -3.839 1.034 1.392 1.00 0.00 C ATOM 0 H VAL A 846 -2.038 -1.126 -0.368 1.00 0.00 H new ATOM 0 HA VAL A 846 -4.975 -0.865 -0.258 1.00 0.00 H new ATOM 0 HB VAL A 846 -2.900 1.354 -0.493 1.00 0.00 H new ATOM 0 HG11 VAL A 846 -4.829 2.875 -0.344 1.00 0.00 H new ATOM 0 HG12 VAL A 846 -4.919 1.832 -1.783 1.00 0.00 H new ATOM 0 HG13 VAL A 846 -5.929 1.475 -0.361 1.00 0.00 H new ATOM 0 HG21 VAL A 846 -3.722 2.069 1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 846 -4.776 0.636 1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 846 -3.008 0.440 1.771 1.00 0.00 H new ATOM 972 N GLU A 847 -5.177 -0.464 -2.738 1.00 0.00 N ATOM 973 CA GLU A 847 -5.291 -0.483 -4.192 1.00 0.00 C ATOM 974 C GLU A 847 -6.088 0.719 -4.691 1.00 0.00 C ATOM 975 O GLU A 847 -7.219 0.949 -4.263 1.00 0.00 O ATOM 976 CB GLU A 847 -5.957 -1.779 -4.657 1.00 0.00 C ATOM 977 CG GLU A 847 -5.653 -2.136 -6.102 1.00 0.00 C ATOM 978 CD GLU A 847 -6.492 -3.294 -6.606 1.00 0.00 C ATOM 979 OE1 GLU A 847 -7.671 -3.068 -6.949 1.00 0.00 O ATOM 980 OE2 GLU A 847 -5.969 -4.427 -6.657 1.00 0.00 O ATOM 0 H GLU A 847 -6.069 -0.417 -2.245 1.00 0.00 H new ATOM 0 HA GLU A 847 -4.286 -0.430 -4.610 1.00 0.00 H new ATOM 0 HB2 GLU A 847 -5.631 -2.596 -4.014 1.00 0.00 H new ATOM 0 HB3 GLU A 847 -7.036 -1.687 -4.534 1.00 0.00 H new ATOM 0 HG2 GLU A 847 -5.828 -1.264 -6.732 1.00 0.00 H new ATOM 0 HG3 GLU A 847 -4.597 -2.390 -6.195 1.00 0.00 H new ATOM 987 N TYR A 848 -5.489 1.483 -5.598 1.00 0.00 N ATOM 988 CA TYR A 848 -6.140 2.663 -6.153 1.00 0.00 C ATOM 989 C TYR A 848 -6.672 2.383 -7.555 1.00 0.00 C ATOM 990 O TYR A 848 -6.566 1.265 -8.059 1.00 0.00 O ATOM 991 CB TYR A 848 -5.164 3.840 -6.192 1.00 0.00 C ATOM 992 CG TYR A 848 -5.128 4.640 -4.910 1.00 0.00 C ATOM 993 CD1 TYR A 848 -4.507 4.139 -3.772 1.00 0.00 C ATOM 994 CD2 TYR A 848 -5.716 5.897 -4.835 1.00 0.00 C ATOM 995 CE1 TYR A 848 -4.473 4.867 -2.598 1.00 0.00 C ATOM 996 CE2 TYR A 848 -5.686 6.632 -3.666 1.00 0.00 C ATOM 997 CZ TYR A 848 -5.063 6.112 -2.550 1.00 0.00 C ATOM 998 OH TYR A 848 -5.032 6.841 -1.383 1.00 0.00 O ATOM 0 H TYR A 848 -4.554 1.306 -5.964 1.00 0.00 H new ATOM 0 HA TYR A 848 -6.981 2.919 -5.509 1.00 0.00 H new ATOM 0 HB2 TYR A 848 -4.163 3.464 -6.404 1.00 0.00 H new ATOM 0 HB3 TYR A 848 -5.437 4.500 -7.015 1.00 0.00 H new ATOM 0 HD1 TYR A 848 -4.043 3.164 -3.806 1.00 0.00 H new ATOM 0 HD2 TYR A 848 -6.205 6.306 -5.706 1.00 0.00 H new ATOM 0 HE1 TYR A 848 -3.987 4.463 -1.723 1.00 0.00 H new ATOM 0 HE2 TYR A 848 -6.147 7.608 -3.626 1.00 0.00 H new ATOM 0 HH TYR A 848 -5.671 7.581 -1.443 1.00 0.00 H new ATOM 1008 N GLU A 849 -7.244 3.407 -8.180 1.00 0.00 N ATOM 1009 CA GLU A 849 -7.793 3.271 -9.524 1.00 0.00 C ATOM 1010 C GLU A 849 -6.699 3.422 -10.577 1.00 0.00 C ATOM 1011 O GLU A 849 -6.595 2.614 -11.499 1.00 0.00 O ATOM 1012 CB GLU A 849 -8.889 4.313 -9.760 1.00 0.00 C ATOM 1013 CG GLU A 849 -9.740 4.035 -10.987 1.00 0.00 C ATOM 1014 CD GLU A 849 -8.932 4.040 -12.270 1.00 0.00 C ATOM 1015 OE1 GLU A 849 -8.008 4.872 -12.386 1.00 0.00 O ATOM 1016 OE2 GLU A 849 -9.224 3.213 -13.159 1.00 0.00 O ATOM 0 H GLU A 849 -7.339 4.339 -7.778 1.00 0.00 H new ATOM 0 HA GLU A 849 -8.224 2.274 -9.612 1.00 0.00 H new ATOM 0 HB2 GLU A 849 -9.534 4.354 -8.883 1.00 0.00 H new ATOM 0 HB3 GLU A 849 -8.428 5.295 -9.863 1.00 0.00 H new ATOM 0 HG2 GLU A 849 -10.229 3.068 -10.874 1.00 0.00 H new ATOM 0 HG3 GLU A 849 -10.528 4.785 -11.055 1.00 0.00 H new ATOM 1023 N ASN A 850 -5.884 4.462 -10.431 1.00 0.00 N ATOM 1024 CA ASN A 850 -4.798 4.720 -11.369 1.00 0.00 C ATOM 1025 C ASN A 850 -3.458 4.793 -10.643 1.00 0.00 C ATOM 1026 O ASN A 850 -3.383 4.568 -9.435 1.00 0.00 O ATOM 1027 CB ASN A 850 -5.051 6.023 -12.129 1.00 0.00 C ATOM 1028 CG ASN A 850 -4.937 7.244 -11.236 1.00 0.00 C ATOM 1029 OD1 ASN A 850 -4.438 7.162 -10.114 1.00 0.00 O ATOM 1030 ND2 ASN A 850 -5.401 8.385 -11.733 1.00 0.00 N ATOM 0 H ASN A 850 -5.955 5.140 -9.672 1.00 0.00 H new ATOM 0 HA ASN A 850 -4.761 3.894 -12.080 1.00 0.00 H new ATOM 0 HB2 ASN A 850 -4.337 6.107 -12.948 1.00 0.00 H new ATOM 0 HB3 ASN A 850 -6.045 5.994 -12.575 1.00 0.00 H new ATOM 0 HD21 ASN A 850 -5.352 9.240 -11.179 1.00 0.00 H new ATOM 0 HD22 ASN A 850 -5.807 8.406 -12.669 1.00 0.00 H new ATOM 1037 N GLU A 851 -2.404 5.110 -11.388 1.00 0.00 N ATOM 1038 CA GLU A 851 -1.067 5.212 -10.815 1.00 0.00 C ATOM 1039 C GLU A 851 -0.842 6.592 -10.203 1.00 0.00 C ATOM 1040 O GLU A 851 -0.319 6.714 -9.095 1.00 0.00 O ATOM 1041 CB GLU A 851 -0.007 4.937 -11.883 1.00 0.00 C ATOM 1042 CG GLU A 851 -0.209 3.621 -12.616 1.00 0.00 C ATOM 1043 CD GLU A 851 1.063 3.116 -13.268 1.00 0.00 C ATOM 1044 OE1 GLU A 851 1.889 2.501 -12.560 1.00 0.00 O ATOM 1045 OE2 GLU A 851 1.233 3.334 -14.486 1.00 0.00 O ATOM 0 H GLU A 851 -2.450 5.301 -12.389 1.00 0.00 H new ATOM 0 HA GLU A 851 -0.980 4.464 -10.027 1.00 0.00 H new ATOM 0 HB2 GLU A 851 -0.013 5.751 -12.607 1.00 0.00 H new ATOM 0 HB3 GLU A 851 0.977 4.935 -11.414 1.00 0.00 H new ATOM 0 HG2 GLU A 851 -0.576 2.871 -11.915 1.00 0.00 H new ATOM 0 HG3 GLU A 851 -0.978 3.748 -13.378 1.00 0.00 H new ATOM 1052 N SER A 852 -1.240 7.629 -10.934 1.00 0.00 N ATOM 1053 CA SER A 852 -1.078 9.001 -10.466 1.00 0.00 C ATOM 1054 C SER A 852 -1.446 9.119 -8.990 1.00 0.00 C ATOM 1055 O SER A 852 -0.635 9.548 -8.171 1.00 0.00 O ATOM 1056 CB SER A 852 -1.943 9.950 -11.297 1.00 0.00 C ATOM 1057 OG SER A 852 -1.591 11.302 -11.058 1.00 0.00 O ATOM 0 H SER A 852 -1.677 7.545 -11.852 1.00 0.00 H new ATOM 0 HA SER A 852 -0.030 9.278 -10.584 1.00 0.00 H new ATOM 0 HB2 SER A 852 -1.824 9.722 -12.356 1.00 0.00 H new ATOM 0 HB3 SER A 852 -2.994 9.796 -11.054 1.00 0.00 H new ATOM 0 HG SER A 852 -2.157 11.888 -11.602 1.00 0.00 H new ATOM 1063 N GLN A 853 -2.675 8.734 -8.661 1.00 0.00 N ATOM 1064 CA GLN A 853 -3.151 8.797 -7.284 1.00 0.00 C ATOM 1065 C GLN A 853 -2.197 8.067 -6.344 1.00 0.00 C ATOM 1066 O GLN A 853 -1.659 8.658 -5.408 1.00 0.00 O ATOM 1067 CB GLN A 853 -4.552 8.193 -7.179 1.00 0.00 C ATOM 1068 CG GLN A 853 -5.605 8.959 -7.963 1.00 0.00 C ATOM 1069 CD GLN A 853 -6.958 8.273 -7.948 1.00 0.00 C ATOM 1070 OE1 GLN A 853 -7.927 8.798 -7.398 1.00 0.00 O ATOM 1071 NE2 GLN A 853 -7.030 7.094 -8.553 1.00 0.00 N ATOM 0 H GLN A 853 -3.358 8.376 -9.328 1.00 0.00 H new ATOM 0 HA GLN A 853 -3.192 9.845 -6.988 1.00 0.00 H new ATOM 0 HB2 GLN A 853 -4.522 7.164 -7.536 1.00 0.00 H new ATOM 0 HB3 GLN A 853 -4.846 8.158 -6.130 1.00 0.00 H new ATOM 0 HG2 GLN A 853 -5.705 9.961 -7.546 1.00 0.00 H new ATOM 0 HG3 GLN A 853 -5.272 9.075 -8.994 1.00 0.00 H new ATOM 0 HE21 GLN A 853 -6.202 6.697 -8.996 1.00 0.00 H new ATOM 0 HE22 GLN A 853 -7.914 6.585 -8.575 1.00 0.00 H new ATOM 1080 N ALA A 854 -1.993 6.779 -6.600 1.00 0.00 N ATOM 1081 CA ALA A 854 -1.104 5.968 -5.778 1.00 0.00 C ATOM 1082 C ALA A 854 0.183 6.721 -5.454 1.00 0.00 C ATOM 1083 O ALA A 854 0.617 6.762 -4.303 1.00 0.00 O ATOM 1084 CB ALA A 854 -0.787 4.656 -6.479 1.00 0.00 C ATOM 0 H ALA A 854 -2.432 6.275 -7.371 1.00 0.00 H new ATOM 0 HA ALA A 854 -1.614 5.752 -4.839 1.00 0.00 H new ATOM 0 HB1 ALA A 854 -0.122 4.061 -5.853 1.00 0.00 H new ATOM 0 HB2 ALA A 854 -1.711 4.105 -6.654 1.00 0.00 H new ATOM 0 HB3 ALA A 854 -0.301 4.861 -7.433 1.00 0.00 H new ATOM 1090 N SER A 855 0.788 7.315 -6.478 1.00 0.00 N ATOM 1091 CA SER A 855 2.028 8.063 -6.303 1.00 0.00 C ATOM 1092 C SER A 855 1.857 9.162 -5.259 1.00 0.00 C ATOM 1093 O SER A 855 2.579 9.204 -4.263 1.00 0.00 O ATOM 1094 CB SER A 855 2.473 8.673 -7.633 1.00 0.00 C ATOM 1095 OG SER A 855 3.858 8.973 -7.619 1.00 0.00 O ATOM 0 H SER A 855 0.440 7.293 -7.437 1.00 0.00 H new ATOM 0 HA SER A 855 2.794 7.371 -5.955 1.00 0.00 H new ATOM 0 HB2 SER A 855 2.256 7.979 -8.445 1.00 0.00 H new ATOM 0 HB3 SER A 855 1.903 9.581 -7.829 1.00 0.00 H new ATOM 0 HG SER A 855 4.118 9.360 -8.481 1.00 0.00 H new ATOM 1101 N GLN A 856 0.896 10.049 -5.495 1.00 0.00 N ATOM 1102 CA GLN A 856 0.629 11.149 -4.575 1.00 0.00 C ATOM 1103 C GLN A 856 0.482 10.640 -3.145 1.00 0.00 C ATOM 1104 O GLN A 856 1.195 11.079 -2.243 1.00 0.00 O ATOM 1105 CB GLN A 856 -0.636 11.898 -4.996 1.00 0.00 C ATOM 1106 CG GLN A 856 -0.883 13.170 -4.201 1.00 0.00 C ATOM 1107 CD GLN A 856 -1.678 12.921 -2.934 1.00 0.00 C ATOM 1108 OE1 GLN A 856 -1.257 12.161 -2.062 1.00 0.00 O ATOM 1109 NE2 GLN A 856 -2.836 13.563 -2.826 1.00 0.00 N ATOM 0 H GLN A 856 0.289 10.028 -6.315 1.00 0.00 H new ATOM 0 HA GLN A 856 1.477 11.833 -4.611 1.00 0.00 H new ATOM 0 HB2 GLN A 856 -0.564 12.149 -6.054 1.00 0.00 H new ATOM 0 HB3 GLN A 856 -1.495 11.236 -4.883 1.00 0.00 H new ATOM 0 HG2 GLN A 856 0.074 13.624 -3.942 1.00 0.00 H new ATOM 0 HG3 GLN A 856 -1.417 13.886 -4.825 1.00 0.00 H new ATOM 0 HE21 GLN A 856 -3.147 14.184 -3.573 1.00 0.00 H new ATOM 0 HE22 GLN A 856 -3.415 13.435 -1.996 1.00 0.00 H new ATOM 1118 N ALA A 857 -0.448 9.712 -2.946 1.00 0.00 N ATOM 1119 CA ALA A 857 -0.688 9.142 -1.626 1.00 0.00 C ATOM 1120 C ALA A 857 0.612 8.661 -0.991 1.00 0.00 C ATOM 1121 O ALA A 857 0.791 8.747 0.224 1.00 0.00 O ATOM 1122 CB ALA A 857 -1.688 7.999 -1.718 1.00 0.00 C ATOM 0 H ALA A 857 -1.048 9.339 -3.682 1.00 0.00 H new ATOM 0 HA ALA A 857 -1.104 9.924 -0.990 1.00 0.00 H new ATOM 0 HB1 ALA A 857 -1.857 7.583 -0.725 1.00 0.00 H new ATOM 0 HB2 ALA A 857 -2.630 8.371 -2.121 1.00 0.00 H new ATOM 0 HB3 ALA A 857 -1.294 7.223 -2.374 1.00 0.00 H new ATOM 1128 N VAL A 858 1.518 8.154 -1.821 1.00 0.00 N ATOM 1129 CA VAL A 858 2.803 7.659 -1.341 1.00 0.00 C ATOM 1130 C VAL A 858 3.707 8.807 -0.907 1.00 0.00 C ATOM 1131 O VAL A 858 4.370 8.732 0.126 1.00 0.00 O ATOM 1132 CB VAL A 858 3.525 6.831 -2.421 1.00 0.00 C ATOM 1133 CG1 VAL A 858 4.877 6.355 -1.913 1.00 0.00 C ATOM 1134 CG2 VAL A 858 2.664 5.655 -2.855 1.00 0.00 C ATOM 0 H VAL A 858 1.386 8.075 -2.829 1.00 0.00 H new ATOM 0 HA VAL A 858 2.595 7.020 -0.483 1.00 0.00 H new ATOM 0 HB VAL A 858 3.694 7.467 -3.290 1.00 0.00 H new ATOM 0 HG11 VAL A 858 5.373 5.772 -2.689 1.00 0.00 H new ATOM 0 HG12 VAL A 858 5.494 7.217 -1.657 1.00 0.00 H new ATOM 0 HG13 VAL A 858 4.735 5.735 -1.028 1.00 0.00 H new ATOM 0 HG21 VAL A 858 3.190 5.081 -3.618 1.00 0.00 H new ATOM 0 HG22 VAL A 858 2.461 5.016 -1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 858 1.723 6.024 -3.263 1.00 0.00 H new ATOM 1144 N MET A 859 3.727 9.870 -1.705 1.00 0.00 N ATOM 1145 CA MET A 859 4.549 11.036 -1.402 1.00 0.00 C ATOM 1146 C MET A 859 4.069 11.724 -0.127 1.00 0.00 C ATOM 1147 O MET A 859 4.823 12.451 0.520 1.00 0.00 O ATOM 1148 CB MET A 859 4.521 12.024 -2.570 1.00 0.00 C ATOM 1149 CG MET A 859 5.582 11.750 -3.623 1.00 0.00 C ATOM 1150 SD MET A 859 5.552 12.951 -4.968 1.00 0.00 S ATOM 1151 CE MET A 859 7.259 13.494 -4.974 1.00 0.00 C ATOM 0 H MET A 859 3.184 9.948 -2.565 1.00 0.00 H new ATOM 0 HA MET A 859 5.573 10.697 -1.247 1.00 0.00 H new ATOM 0 HB2 MET A 859 3.538 11.991 -3.039 1.00 0.00 H new ATOM 0 HB3 MET A 859 4.656 13.034 -2.184 1.00 0.00 H new ATOM 0 HG2 MET A 859 6.566 11.761 -3.153 1.00 0.00 H new ATOM 0 HG3 MET A 859 5.434 10.750 -4.031 1.00 0.00 H new ATOM 0 HE1 MET A 859 7.400 14.241 -5.755 1.00 0.00 H new ATOM 0 HE2 MET A 859 7.506 13.930 -4.006 1.00 0.00 H new ATOM 0 HE3 MET A 859 7.911 12.642 -5.165 1.00 0.00 H new ATOM 1161 N LYS A 860 2.810 11.489 0.228 1.00 0.00 N ATOM 1162 CA LYS A 860 2.229 12.085 1.425 1.00 0.00 C ATOM 1163 C LYS A 860 2.345 11.138 2.615 1.00 0.00 C ATOM 1164 O LYS A 860 2.978 11.463 3.619 1.00 0.00 O ATOM 1165 CB LYS A 860 0.759 12.437 1.182 1.00 0.00 C ATOM 1166 CG LYS A 860 0.565 13.682 0.334 1.00 0.00 C ATOM 1167 CD LYS A 860 0.481 14.934 1.192 1.00 0.00 C ATOM 1168 CE LYS A 860 1.822 15.263 1.830 1.00 0.00 C ATOM 1169 NZ LYS A 860 1.980 14.609 3.158 1.00 0.00 N ATOM 0 H LYS A 860 2.173 10.890 -0.297 1.00 0.00 H new ATOM 0 HA LYS A 860 2.782 12.996 1.652 1.00 0.00 H new ATOM 0 HB2 LYS A 860 0.268 11.595 0.694 1.00 0.00 H new ATOM 0 HB3 LYS A 860 0.265 12.581 2.143 1.00 0.00 H new ATOM 0 HG2 LYS A 860 1.392 13.777 -0.369 1.00 0.00 H new ATOM 0 HG3 LYS A 860 -0.346 13.583 -0.257 1.00 0.00 H new ATOM 0 HD2 LYS A 860 0.152 15.774 0.580 1.00 0.00 H new ATOM 0 HD3 LYS A 860 -0.269 14.793 1.970 1.00 0.00 H new ATOM 0 HE2 LYS A 860 2.627 14.942 1.169 1.00 0.00 H new ATOM 0 HE3 LYS A 860 1.915 16.343 1.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 860 1.964 15.332 3.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 860 1.201 13.937 3.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 860 2.886 14.100 3.189 1.00 0.00 H new ATOM 1183 N MET A 861 1.732 9.965 2.494 1.00 0.00 N ATOM 1184 CA MET A 861 1.770 8.970 3.560 1.00 0.00 C ATOM 1185 C MET A 861 3.209 8.627 3.932 1.00 0.00 C ATOM 1186 O MET A 861 3.601 8.729 5.094 1.00 0.00 O ATOM 1187 CB MET A 861 1.026 7.704 3.132 1.00 0.00 C ATOM 1188 CG MET A 861 -0.468 7.912 2.944 1.00 0.00 C ATOM 1189 SD MET A 861 -1.399 6.369 3.019 1.00 0.00 S ATOM 1190 CE MET A 861 -2.493 6.701 4.398 1.00 0.00 C ATOM 0 H MET A 861 1.203 9.680 1.669 1.00 0.00 H new ATOM 0 HA MET A 861 1.278 9.393 4.436 1.00 0.00 H new ATOM 0 HB2 MET A 861 1.454 7.339 2.198 1.00 0.00 H new ATOM 0 HB3 MET A 861 1.185 6.928 3.881 1.00 0.00 H new ATOM 0 HG2 MET A 861 -0.836 8.592 3.713 1.00 0.00 H new ATOM 0 HG3 MET A 861 -0.646 8.393 1.982 1.00 0.00 H new ATOM 0 HE1 MET A 861 -3.447 6.199 4.235 1.00 0.00 H new ATOM 0 HE2 MET A 861 -2.041 6.331 5.318 1.00 0.00 H new ATOM 0 HE3 MET A 861 -2.658 7.775 4.481 1.00 0.00 H new ATOM 1200 N ASP A 862 3.991 8.219 2.938 1.00 0.00 N ATOM 1201 CA ASP A 862 5.387 7.861 3.161 1.00 0.00 C ATOM 1202 C ASP A 862 6.007 8.738 4.244 1.00 0.00 C ATOM 1203 O ASP A 862 6.410 9.871 3.984 1.00 0.00 O ATOM 1204 CB ASP A 862 6.183 7.993 1.862 1.00 0.00 C ATOM 1205 CG ASP A 862 7.657 7.690 2.053 1.00 0.00 C ATOM 1206 OD1 ASP A 862 8.400 8.602 2.472 1.00 0.00 O ATOM 1207 OD2 ASP A 862 8.066 6.542 1.783 1.00 0.00 O ATOM 0 H ASP A 862 3.682 8.128 1.970 1.00 0.00 H new ATOM 0 HA ASP A 862 5.422 6.824 3.495 1.00 0.00 H new ATOM 0 HB2 ASP A 862 5.769 7.315 1.115 1.00 0.00 H new ATOM 0 HB3 ASP A 862 6.071 9.004 1.471 1.00 0.00 H new ATOM 1212 N GLY A 863 6.077 8.207 5.461 1.00 0.00 N ATOM 1213 CA GLY A 863 6.648 8.956 6.566 1.00 0.00 C ATOM 1214 C GLY A 863 5.655 9.918 7.188 1.00 0.00 C ATOM 1215 O GLY A 863 5.980 11.077 7.444 1.00 0.00 O ATOM 0 H GLY A 863 5.749 7.272 5.702 1.00 0.00 H new ATOM 0 HA2 GLY A 863 7.002 8.261 7.328 1.00 0.00 H new ATOM 0 HA3 GLY A 863 7.517 9.512 6.214 1.00 0.00 H new ATOM 1219 N MET A 864 4.440 9.436 7.431 1.00 0.00 N ATOM 1220 CA MET A 864 3.396 10.262 8.027 1.00 0.00 C ATOM 1221 C MET A 864 3.089 9.807 9.450 1.00 0.00 C ATOM 1222 O MET A 864 3.156 8.618 9.761 1.00 0.00 O ATOM 1223 CB MET A 864 2.126 10.208 7.176 1.00 0.00 C ATOM 1224 CG MET A 864 1.325 8.929 7.360 1.00 0.00 C ATOM 1225 SD MET A 864 -0.270 8.982 6.521 1.00 0.00 S ATOM 1226 CE MET A 864 -1.300 9.701 7.798 1.00 0.00 C ATOM 0 H MET A 864 4.155 8.479 7.225 1.00 0.00 H new ATOM 0 HA MET A 864 3.757 11.290 8.063 1.00 0.00 H new ATOM 0 HB2 MET A 864 1.495 11.061 7.425 1.00 0.00 H new ATOM 0 HB3 MET A 864 2.398 10.309 6.125 1.00 0.00 H new ATOM 0 HG2 MET A 864 1.902 8.086 6.981 1.00 0.00 H new ATOM 0 HG3 MET A 864 1.166 8.754 8.424 1.00 0.00 H new ATOM 0 HE1 MET A 864 -2.114 9.016 8.037 1.00 0.00 H new ATOM 0 HE2 MET A 864 -0.701 9.879 8.691 1.00 0.00 H new ATOM 0 HE3 MET A 864 -1.713 10.645 7.444 1.00 0.00 H new ATOM 1236 N THR A 865 2.752 10.762 10.312 1.00 0.00 N ATOM 1237 CA THR A 865 2.437 10.459 11.702 1.00 0.00 C ATOM 1238 C THR A 865 0.967 10.089 11.864 1.00 0.00 C ATOM 1239 O THR A 865 0.090 10.717 11.270 1.00 0.00 O ATOM 1240 CB THR A 865 2.759 11.650 12.624 1.00 0.00 C ATOM 1241 OG1 THR A 865 3.873 12.385 12.103 1.00 0.00 O ATOM 1242 CG2 THR A 865 3.074 11.174 14.034 1.00 0.00 C ATOM 0 H THR A 865 2.690 11.751 10.071 1.00 0.00 H new ATOM 0 HA THR A 865 3.057 9.610 11.988 1.00 0.00 H new ATOM 0 HB THR A 865 1.883 12.297 12.664 1.00 0.00 H new ATOM 0 HG1 THR A 865 4.071 13.142 12.694 1.00 0.00 H new ATOM 0 HG21 THR A 865 3.298 12.033 14.666 1.00 0.00 H new ATOM 0 HG22 THR A 865 2.214 10.640 14.438 1.00 0.00 H new ATOM 0 HG23 THR A 865 3.936 10.507 14.009 1.00 0.00 H new ATOM 1250 N ILE A 866 0.704 9.068 12.672 1.00 0.00 N ATOM 1251 CA ILE A 866 -0.661 8.617 12.914 1.00 0.00 C ATOM 1252 C ILE A 866 -0.818 8.073 14.330 1.00 0.00 C ATOM 1253 O ILE A 866 -0.285 7.015 14.664 1.00 0.00 O ATOM 1254 CB ILE A 866 -1.079 7.527 11.908 1.00 0.00 C ATOM 1255 CG1 ILE A 866 -0.969 8.055 10.476 1.00 0.00 C ATOM 1256 CG2 ILE A 866 -2.497 7.057 12.197 1.00 0.00 C ATOM 1257 CD1 ILE A 866 -1.179 6.990 9.423 1.00 0.00 C ATOM 0 H ILE A 866 1.418 8.537 13.170 1.00 0.00 H new ATOM 0 HA ILE A 866 -1.308 9.485 12.788 1.00 0.00 H new ATOM 0 HB ILE A 866 -0.406 6.677 12.014 1.00 0.00 H new ATOM 0 HG12 ILE A 866 -1.704 8.847 10.332 1.00 0.00 H new ATOM 0 HG13 ILE A 866 0.015 8.503 10.337 1.00 0.00 H new ATOM 0 HG21 ILE A 866 -2.779 6.287 11.479 1.00 0.00 H new ATOM 0 HG22 ILE A 866 -2.546 6.647 13.206 1.00 0.00 H new ATOM 0 HG23 ILE A 866 -3.184 7.899 12.114 1.00 0.00 H new ATOM 0 HD11 ILE A 866 -1.087 7.435 8.432 1.00 0.00 H new ATOM 0 HD12 ILE A 866 -0.428 6.209 9.541 1.00 0.00 H new ATOM 0 HD13 ILE A 866 -2.173 6.558 9.536 1.00 0.00 H new ATOM 1269 N LYS A 867 -1.556 8.804 15.159 1.00 0.00 N ATOM 1270 CA LYS A 867 -1.788 8.395 16.539 1.00 0.00 C ATOM 1271 C LYS A 867 -0.467 8.166 17.268 1.00 0.00 C ATOM 1272 O LYS A 867 -0.302 7.170 17.972 1.00 0.00 O ATOM 1273 CB LYS A 867 -2.633 7.120 16.580 1.00 0.00 C ATOM 1274 CG LYS A 867 -4.094 7.347 16.230 1.00 0.00 C ATOM 1275 CD LYS A 867 -4.963 6.186 16.684 1.00 0.00 C ATOM 1276 CE LYS A 867 -6.402 6.354 16.223 1.00 0.00 C ATOM 1277 NZ LYS A 867 -7.341 5.516 17.019 1.00 0.00 N ATOM 0 H LYS A 867 -2.004 9.683 14.899 1.00 0.00 H new ATOM 0 HA LYS A 867 -2.327 9.197 17.043 1.00 0.00 H new ATOM 0 HB2 LYS A 867 -2.211 6.392 15.887 1.00 0.00 H new ATOM 0 HB3 LYS A 867 -2.570 6.685 17.577 1.00 0.00 H new ATOM 0 HG2 LYS A 867 -4.442 8.268 16.698 1.00 0.00 H new ATOM 0 HG3 LYS A 867 -4.195 7.479 15.153 1.00 0.00 H new ATOM 0 HD2 LYS A 867 -4.560 5.253 16.290 1.00 0.00 H new ATOM 0 HD3 LYS A 867 -4.934 6.112 17.771 1.00 0.00 H new ATOM 0 HE2 LYS A 867 -6.690 7.402 16.307 1.00 0.00 H new ATOM 0 HE3 LYS A 867 -6.480 6.085 15.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 867 -8.312 5.659 16.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 867 -7.082 4.514 16.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 867 -7.286 5.789 18.021 1.00 0.00 H new ATOM 1291 N GLU A 868 0.469 9.094 17.094 1.00 0.00 N ATOM 1292 CA GLU A 868 1.774 8.991 17.736 1.00 0.00 C ATOM 1293 C GLU A 868 2.542 7.780 17.216 1.00 0.00 C ATOM 1294 O GLU A 868 3.126 7.023 17.991 1.00 0.00 O ATOM 1295 CB GLU A 868 1.613 8.894 19.255 1.00 0.00 C ATOM 1296 CG GLU A 868 2.832 9.370 20.027 1.00 0.00 C ATOM 1297 CD GLU A 868 3.183 10.816 19.731 1.00 0.00 C ATOM 1298 OE1 GLU A 868 2.638 11.709 20.413 1.00 0.00 O ATOM 1299 OE2 GLU A 868 4.001 11.054 18.819 1.00 0.00 O ATOM 0 H GLU A 868 0.348 9.925 16.514 1.00 0.00 H new ATOM 0 HA GLU A 868 2.342 9.890 17.495 1.00 0.00 H new ATOM 0 HB2 GLU A 868 0.748 9.483 19.559 1.00 0.00 H new ATOM 0 HB3 GLU A 868 1.404 7.859 19.525 1.00 0.00 H new ATOM 0 HG2 GLU A 868 2.648 9.256 21.095 1.00 0.00 H new ATOM 0 HG3 GLU A 868 3.684 8.736 19.781 1.00 0.00 H new ATOM 1306 N ASN A 869 2.536 7.603 15.899 1.00 0.00 N ATOM 1307 CA ASN A 869 3.232 6.484 15.275 1.00 0.00 C ATOM 1308 C ASN A 869 3.538 6.781 13.810 1.00 0.00 C ATOM 1309 O ASN A 869 2.633 6.849 12.978 1.00 0.00 O ATOM 1310 CB ASN A 869 2.391 5.210 15.383 1.00 0.00 C ATOM 1311 CG ASN A 869 3.211 3.955 15.156 1.00 0.00 C ATOM 1312 OD1 ASN A 869 3.711 3.716 14.057 1.00 0.00 O ATOM 1313 ND2 ASN A 869 3.352 3.144 16.199 1.00 0.00 N ATOM 0 H ASN A 869 2.057 8.220 15.243 1.00 0.00 H new ATOM 0 HA ASN A 869 4.175 6.336 15.802 1.00 0.00 H new ATOM 0 HB2 ASN A 869 1.929 5.165 16.369 1.00 0.00 H new ATOM 0 HB3 ASN A 869 1.582 5.249 14.654 1.00 0.00 H new ATOM 0 HD21 ASN A 869 3.892 2.284 16.107 1.00 0.00 H new ATOM 0 HD22 ASN A 869 2.920 3.382 17.092 1.00 0.00 H new ATOM 1320 N ILE A 870 4.818 6.958 13.503 1.00 0.00 N ATOM 1321 CA ILE A 870 5.244 7.247 12.139 1.00 0.00 C ATOM 1322 C ILE A 870 5.144 6.006 11.258 1.00 0.00 C ATOM 1323 O ILE A 870 5.774 4.985 11.533 1.00 0.00 O ATOM 1324 CB ILE A 870 6.690 7.775 12.100 1.00 0.00 C ATOM 1325 CG1 ILE A 870 6.725 9.258 12.476 1.00 0.00 C ATOM 1326 CG2 ILE A 870 7.296 7.558 10.722 1.00 0.00 C ATOM 1327 CD1 ILE A 870 7.962 9.977 11.986 1.00 0.00 C ATOM 0 H ILE A 870 5.579 6.906 14.180 1.00 0.00 H new ATOM 0 HA ILE A 870 4.575 8.017 11.756 1.00 0.00 H new ATOM 0 HB ILE A 870 7.283 7.221 12.828 1.00 0.00 H new ATOM 0 HG12 ILE A 870 5.843 9.749 12.066 1.00 0.00 H new ATOM 0 HG13 ILE A 870 6.666 9.351 13.560 1.00 0.00 H new ATOM 0 HG21 ILE A 870 8.318 7.936 10.710 1.00 0.00 H new ATOM 0 HG22 ILE A 870 7.301 6.493 10.490 1.00 0.00 H new ATOM 0 HG23 ILE A 870 6.704 8.089 9.976 1.00 0.00 H new ATOM 0 HD11 ILE A 870 7.919 11.023 12.289 1.00 0.00 H new ATOM 0 HD12 ILE A 870 8.848 9.511 12.417 1.00 0.00 H new ATOM 0 HD13 ILE A 870 8.012 9.916 10.899 1.00 0.00 H new ATOM 1339 N ILE A 871 4.349 6.103 10.198 1.00 0.00 N ATOM 1340 CA ILE A 871 4.169 4.990 9.274 1.00 0.00 C ATOM 1341 C ILE A 871 4.842 5.272 7.935 1.00 0.00 C ATOM 1342 O ILE A 871 4.849 6.407 7.458 1.00 0.00 O ATOM 1343 CB ILE A 871 2.677 4.694 9.034 1.00 0.00 C ATOM 1344 CG1 ILE A 871 2.062 5.761 8.126 1.00 0.00 C ATOM 1345 CG2 ILE A 871 1.931 4.623 10.358 1.00 0.00 C ATOM 1346 CD1 ILE A 871 2.396 5.576 6.662 1.00 0.00 C ATOM 0 H ILE A 871 3.819 6.941 9.958 1.00 0.00 H new ATOM 0 HA ILE A 871 4.635 4.119 9.735 1.00 0.00 H new ATOM 0 HB ILE A 871 2.589 3.727 8.538 1.00 0.00 H new ATOM 0 HG12 ILE A 871 0.979 5.749 8.247 1.00 0.00 H new ATOM 0 HG13 ILE A 871 2.408 6.743 8.448 1.00 0.00 H new ATOM 0 HG21 ILE A 871 0.878 4.413 10.171 1.00 0.00 H new ATOM 0 HG22 ILE A 871 2.356 3.829 10.973 1.00 0.00 H new ATOM 0 HG23 ILE A 871 2.024 5.575 10.880 1.00 0.00 H new ATOM 0 HD11 ILE A 871 1.927 6.368 6.079 1.00 0.00 H new ATOM 0 HD12 ILE A 871 3.477 5.618 6.527 1.00 0.00 H new ATOM 0 HD13 ILE A 871 2.026 4.608 6.324 1.00 0.00 H new ATOM 1358 N LYS A 872 5.405 4.231 7.331 1.00 0.00 N ATOM 1359 CA LYS A 872 6.079 4.365 6.045 1.00 0.00 C ATOM 1360 C LYS A 872 5.232 3.772 4.924 1.00 0.00 C ATOM 1361 O LYS A 872 4.415 2.880 5.154 1.00 0.00 O ATOM 1362 CB LYS A 872 7.444 3.675 6.087 1.00 0.00 C ATOM 1363 CG LYS A 872 8.408 4.168 5.022 1.00 0.00 C ATOM 1364 CD LYS A 872 9.777 3.525 5.168 1.00 0.00 C ATOM 1365 CE LYS A 872 10.490 3.423 3.828 1.00 0.00 C ATOM 1366 NZ LYS A 872 11.757 2.648 3.932 1.00 0.00 N ATOM 0 H LYS A 872 5.408 3.285 7.712 1.00 0.00 H new ATOM 0 HA LYS A 872 6.222 5.427 5.846 1.00 0.00 H new ATOM 0 HB2 LYS A 872 7.890 3.831 7.069 1.00 0.00 H new ATOM 0 HB3 LYS A 872 7.303 2.601 5.968 1.00 0.00 H new ATOM 0 HG2 LYS A 872 8.004 3.946 4.034 1.00 0.00 H new ATOM 0 HG3 LYS A 872 8.505 5.252 5.091 1.00 0.00 H new ATOM 0 HD2 LYS A 872 10.383 4.110 5.860 1.00 0.00 H new ATOM 0 HD3 LYS A 872 9.669 2.530 5.601 1.00 0.00 H new ATOM 0 HE2 LYS A 872 9.832 2.947 3.102 1.00 0.00 H new ATOM 0 HE3 LYS A 872 10.706 4.424 3.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 872 12.213 2.601 2.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 872 12.396 3.116 4.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 872 11.548 1.685 4.264 1.00 0.00 H new ATOM 1380 N VAL A 873 5.434 4.271 3.708 1.00 0.00 N ATOM 1381 CA VAL A 873 4.690 3.789 2.550 1.00 0.00 C ATOM 1382 C VAL A 873 5.627 3.470 1.390 1.00 0.00 C ATOM 1383 O VAL A 873 6.528 4.246 1.075 1.00 0.00 O ATOM 1384 CB VAL A 873 3.646 4.820 2.084 1.00 0.00 C ATOM 1385 CG1 VAL A 873 2.799 4.251 0.956 1.00 0.00 C ATOM 1386 CG2 VAL A 873 2.772 5.257 3.250 1.00 0.00 C ATOM 0 H VAL A 873 6.107 5.009 3.500 1.00 0.00 H new ATOM 0 HA VAL A 873 4.176 2.879 2.860 1.00 0.00 H new ATOM 0 HB VAL A 873 4.171 5.697 1.705 1.00 0.00 H new ATOM 0 HG11 VAL A 873 2.067 4.994 0.640 1.00 0.00 H new ATOM 0 HG12 VAL A 873 3.441 3.993 0.114 1.00 0.00 H new ATOM 0 HG13 VAL A 873 2.281 3.357 1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 873 2.040 5.986 2.903 1.00 0.00 H new ATOM 0 HG22 VAL A 873 2.254 4.390 3.662 1.00 0.00 H new ATOM 0 HG23 VAL A 873 3.395 5.708 4.022 1.00 0.00 H new ATOM 1396 N ALA A 874 5.407 2.321 0.758 1.00 0.00 N ATOM 1397 CA ALA A 874 6.229 1.900 -0.369 1.00 0.00 C ATOM 1398 C ALA A 874 5.366 1.386 -1.517 1.00 0.00 C ATOM 1399 O ALA A 874 4.303 0.807 -1.294 1.00 0.00 O ATOM 1400 CB ALA A 874 7.219 0.831 0.070 1.00 0.00 C ATOM 0 H ALA A 874 4.666 1.666 1.008 1.00 0.00 H new ATOM 0 HA ALA A 874 6.783 2.768 -0.727 1.00 0.00 H new ATOM 0 HB1 ALA A 874 7.826 0.526 -0.782 1.00 0.00 H new ATOM 0 HB2 ALA A 874 7.865 1.232 0.851 1.00 0.00 H new ATOM 0 HB3 ALA A 874 6.676 -0.032 0.456 1.00 0.00 H new ATOM 1406 N ILE A 875 5.830 1.603 -2.743 1.00 0.00 N ATOM 1407 CA ILE A 875 5.100 1.161 -3.924 1.00 0.00 C ATOM 1408 C ILE A 875 5.076 -0.361 -4.018 1.00 0.00 C ATOM 1409 O ILE A 875 6.078 -0.987 -4.365 1.00 0.00 O ATOM 1410 CB ILE A 875 5.717 1.734 -5.214 1.00 0.00 C ATOM 1411 CG1 ILE A 875 6.032 3.221 -5.037 1.00 0.00 C ATOM 1412 CG2 ILE A 875 4.775 1.523 -6.390 1.00 0.00 C ATOM 1413 CD1 ILE A 875 4.869 4.026 -4.500 1.00 0.00 C ATOM 0 H ILE A 875 6.708 2.082 -2.944 1.00 0.00 H new ATOM 0 HA ILE A 875 4.080 1.532 -3.822 1.00 0.00 H new ATOM 0 HB ILE A 875 6.648 1.206 -5.420 1.00 0.00 H new ATOM 0 HG12 ILE A 875 6.880 3.326 -4.360 1.00 0.00 H new ATOM 0 HG13 ILE A 875 6.338 3.636 -5.997 1.00 0.00 H new ATOM 0 HG21 ILE A 875 5.225 1.933 -7.294 1.00 0.00 H new ATOM 0 HG22 ILE A 875 4.595 0.456 -6.525 1.00 0.00 H new ATOM 0 HG23 ILE A 875 3.829 2.028 -6.194 1.00 0.00 H new ATOM 0 HD11 ILE A 875 5.165 5.070 -4.400 1.00 0.00 H new ATOM 0 HD12 ILE A 875 4.027 3.951 -5.188 1.00 0.00 H new ATOM 0 HD13 ILE A 875 4.577 3.637 -3.525 1.00 0.00 H new ATOM 1425 N SER A 876 3.926 -0.949 -3.709 1.00 0.00 N ATOM 1426 CA SER A 876 3.771 -2.399 -3.756 1.00 0.00 C ATOM 1427 C SER A 876 4.170 -2.943 -5.125 1.00 0.00 C ATOM 1428 O SER A 876 3.398 -2.877 -6.080 1.00 0.00 O ATOM 1429 CB SER A 876 2.326 -2.789 -3.441 1.00 0.00 C ATOM 1430 OG SER A 876 2.030 -4.085 -3.931 1.00 0.00 O ATOM 0 H SER A 876 3.087 -0.444 -3.423 1.00 0.00 H new ATOM 0 HA SER A 876 4.429 -2.835 -3.005 1.00 0.00 H new ATOM 0 HB2 SER A 876 2.164 -2.758 -2.364 1.00 0.00 H new ATOM 0 HB3 SER A 876 1.645 -2.064 -3.886 1.00 0.00 H new ATOM 0 HG SER A 876 1.101 -4.312 -3.716 1.00 0.00 H new