USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=17 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= -3 K(o=-3,f=-4.3!) USER MOD Single : A 801 HIS : no HD1:sc= -4.74! C(o=-4.7!,f=-5!) 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 USER MOD Single : A 813 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 814 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.338) USER MOD Single : A 821 CYS SG : rot 180:sc= 0 USER MOD Single : A 822 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 824 HIS : no HE2:sc= -0.133 X(o=-0.13,f=-0.32) USER MOD Single : A 828 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 834 THR OG1 : rot 180:sc= 0 USER MOD Single : A 835 ASN : amide:sc= -2.77! C(o=-2.8!,f=-11!) 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 180:sc= 0 USER MOD Single : A 848 TYR OH : rot -130:sc= 0.751 USER MOD Single : A 850 ASN : amide:sc= -1.24 K(o=-1.2,f=-14!) 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= -0.0439 K(o=-0.044,f=-1.5) USER MOD Single : A 859 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 860 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 861 MET CE :methyl 150:sc= -0.115 (180deg=-0.966) USER MOD Single : A 864 MET CE :methyl -140:sc= -0.349 (180deg=-1.53!) 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= -0.0619 K(o=-0.062,f=-1.5) USER MOD Single : A 872 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 876 SER OG : rot 140:sc= -0.0146 USER MOD ----------------------------------------------------------------- ATOM 239 N HIS A 801 0.321 0.377 -9.219 1.00 0.00 N ATOM 240 CA HIS A 801 -0.767 1.116 -8.589 1.00 0.00 C ATOM 241 C HIS A 801 -0.869 0.773 -7.106 1.00 0.00 C ATOM 242 O HIS A 801 -0.868 1.659 -6.251 1.00 0.00 O ATOM 243 CB HIS A 801 -2.092 0.810 -9.287 1.00 0.00 C ATOM 244 CG HIS A 801 -2.520 -0.620 -9.160 1.00 0.00 C ATOM 245 ND1 HIS A 801 -1.897 -1.654 -9.827 1.00 0.00 N ATOM 246 CD2 HIS A 801 -3.513 -1.186 -8.435 1.00 0.00 C ATOM 247 CE1 HIS A 801 -2.491 -2.794 -9.519 1.00 0.00 C ATOM 248 NE2 HIS A 801 -3.474 -2.537 -8.676 1.00 0.00 N ATOM 0 HA HIS A 801 -0.553 2.180 -8.684 1.00 0.00 H new ATOM 0 HB2 HIS A 801 -2.869 1.451 -8.871 1.00 0.00 H new ATOM 0 HB3 HIS A 801 -2.003 1.062 -10.344 1.00 0.00 H new ATOM 0 HD2 HIS A 801 -4.207 -0.671 -7.787 1.00 0.00 H new ATOM 0 HE1 HIS A 801 -2.219 -3.770 -9.893 1.00 0.00 H new ATOM 0 HE2 HIS A 801 -4.103 -3.230 -8.270 1.00 0.00 H new ATOM 256 N LYS A 802 -0.958 -0.519 -6.807 1.00 0.00 N ATOM 257 CA LYS A 802 -1.060 -0.980 -5.428 1.00 0.00 C ATOM 258 C LYS A 802 -0.037 -0.277 -4.541 1.00 0.00 C ATOM 259 O LYS A 802 0.958 0.259 -5.030 1.00 0.00 O ATOM 260 CB LYS A 802 -0.855 -2.495 -5.359 1.00 0.00 C ATOM 261 CG LYS A 802 -1.973 -3.291 -6.009 1.00 0.00 C ATOM 262 CD LYS A 802 -1.868 -4.771 -5.682 1.00 0.00 C ATOM 263 CE LYS A 802 -3.217 -5.465 -5.795 1.00 0.00 C ATOM 264 NZ LYS A 802 -3.253 -6.738 -5.024 1.00 0.00 N ATOM 0 H LYS A 802 -0.962 -1.265 -7.502 1.00 0.00 H new ATOM 0 HA LYS A 802 -2.058 -0.737 -5.063 1.00 0.00 H new ATOM 0 HB2 LYS A 802 0.088 -2.748 -5.843 1.00 0.00 H new ATOM 0 HB3 LYS A 802 -0.767 -2.794 -4.314 1.00 0.00 H new ATOM 0 HG2 LYS A 802 -2.936 -2.910 -5.670 1.00 0.00 H new ATOM 0 HG3 LYS A 802 -1.938 -3.153 -7.090 1.00 0.00 H new ATOM 0 HD2 LYS A 802 -1.157 -5.244 -6.359 1.00 0.00 H new ATOM 0 HD3 LYS A 802 -1.478 -4.895 -4.672 1.00 0.00 H new ATOM 0 HE2 LYS A 802 -4.000 -4.799 -5.432 1.00 0.00 H new ATOM 0 HE3 LYS A 802 -3.433 -5.669 -6.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 802 -4.189 -7.180 -5.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 802 -2.523 -7.384 -5.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 802 -3.072 -6.540 -4.019 1.00 0.00 H new ATOM 278 N LEU A 803 -0.288 -0.284 -3.237 1.00 0.00 N ATOM 279 CA LEU A 803 0.612 0.352 -2.281 1.00 0.00 C ATOM 280 C LEU A 803 0.788 -0.515 -1.039 1.00 0.00 C ATOM 281 O LEU A 803 -0.056 -1.357 -0.732 1.00 0.00 O ATOM 282 CB LEU A 803 0.077 1.729 -1.885 1.00 0.00 C ATOM 283 CG LEU A 803 -0.534 2.562 -3.013 1.00 0.00 C ATOM 284 CD1 LEU A 803 -1.414 3.664 -2.445 1.00 0.00 C ATOM 285 CD2 LEU A 803 0.559 3.150 -3.894 1.00 0.00 C ATOM 0 H LEU A 803 -1.107 -0.723 -2.817 1.00 0.00 H new ATOM 0 HA LEU A 803 1.585 0.471 -2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 803 -0.678 1.594 -1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 803 0.892 2.299 -1.440 1.00 0.00 H new ATOM 0 HG LEU A 803 -1.155 1.909 -3.626 1.00 0.00 H new ATOM 0 HD11 LEU A 803 -1.840 4.247 -3.262 1.00 0.00 H new ATOM 0 HD12 LEU A 803 -2.218 3.221 -1.857 1.00 0.00 H new ATOM 0 HD13 LEU A 803 -0.816 4.316 -1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 803 0.106 3.739 -4.691 1.00 0.00 H new ATOM 0 HD22 LEU A 803 1.206 3.789 -3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 803 1.149 2.343 -4.330 1.00 0.00 H new ATOM 297 N PHE A 804 1.889 -0.301 -0.325 1.00 0.00 N ATOM 298 CA PHE A 804 2.175 -1.062 0.885 1.00 0.00 C ATOM 299 C PHE A 804 2.592 -0.135 2.024 1.00 0.00 C ATOM 300 O PHE A 804 3.387 0.785 1.830 1.00 0.00 O ATOM 301 CB PHE A 804 3.278 -2.089 0.619 1.00 0.00 C ATOM 302 CG PHE A 804 3.940 -2.594 1.868 1.00 0.00 C ATOM 303 CD1 PHE A 804 4.821 -1.791 2.575 1.00 0.00 C ATOM 304 CD2 PHE A 804 3.682 -3.872 2.336 1.00 0.00 C ATOM 305 CE1 PHE A 804 5.433 -2.255 3.724 1.00 0.00 C ATOM 306 CE2 PHE A 804 4.291 -4.341 3.486 1.00 0.00 C ATOM 307 CZ PHE A 804 5.166 -3.531 4.181 1.00 0.00 C ATOM 0 H PHE A 804 2.597 0.393 -0.564 1.00 0.00 H new ATOM 0 HA PHE A 804 1.265 -1.585 1.179 1.00 0.00 H new ATOM 0 HB2 PHE A 804 2.854 -2.933 0.075 1.00 0.00 H new ATOM 0 HB3 PHE A 804 4.033 -1.641 -0.027 1.00 0.00 H new ATOM 0 HD1 PHE A 804 5.032 -0.792 2.224 1.00 0.00 H new ATOM 0 HD2 PHE A 804 2.997 -4.510 1.797 1.00 0.00 H new ATOM 0 HE1 PHE A 804 6.120 -1.620 4.264 1.00 0.00 H new ATOM 0 HE2 PHE A 804 4.082 -5.340 3.840 1.00 0.00 H new ATOM 0 HZ PHE A 804 5.641 -3.894 5.080 1.00 0.00 H new ATOM 317 N ILE A 805 2.048 -0.385 3.210 1.00 0.00 N ATOM 318 CA ILE A 805 2.364 0.425 4.380 1.00 0.00 C ATOM 319 C ILE A 805 2.746 -0.450 5.569 1.00 0.00 C ATOM 320 O ILE A 805 2.061 -1.424 5.882 1.00 0.00 O ATOM 321 CB ILE A 805 1.177 1.323 4.779 1.00 0.00 C ATOM 322 CG1 ILE A 805 0.577 1.992 3.541 1.00 0.00 C ATOM 323 CG2 ILE A 805 1.622 2.370 5.790 1.00 0.00 C ATOM 324 CD1 ILE A 805 -0.451 3.053 3.866 1.00 0.00 C ATOM 0 H ILE A 805 1.387 -1.141 3.386 1.00 0.00 H new ATOM 0 HA ILE A 805 3.212 1.054 4.108 1.00 0.00 H new ATOM 0 HB ILE A 805 0.410 0.702 5.241 1.00 0.00 H new ATOM 0 HG12 ILE A 805 1.379 2.442 2.956 1.00 0.00 H new ATOM 0 HG13 ILE A 805 0.115 1.230 2.914 1.00 0.00 H new ATOM 0 HG21 ILE A 805 0.773 2.997 6.062 1.00 0.00 H new ATOM 0 HG22 ILE A 805 2.008 1.875 6.681 1.00 0.00 H new ATOM 0 HG23 ILE A 805 2.404 2.990 5.352 1.00 0.00 H new ATOM 0 HD11 ILE A 805 -0.834 3.484 2.941 1.00 0.00 H new ATOM 0 HD12 ILE A 805 -1.273 2.605 4.424 1.00 0.00 H new ATOM 0 HD13 ILE A 805 0.012 3.836 4.467 1.00 0.00 H new ATOM 336 N SER A 806 3.844 -0.095 6.229 1.00 0.00 N ATOM 337 CA SER A 806 4.320 -0.850 7.383 1.00 0.00 C ATOM 338 C SER A 806 4.566 0.074 8.571 1.00 0.00 C ATOM 339 O SER A 806 4.875 1.253 8.402 1.00 0.00 O ATOM 340 CB SER A 806 5.604 -1.603 7.032 1.00 0.00 C ATOM 341 OG SER A 806 6.656 -0.703 6.729 1.00 0.00 O ATOM 0 H SER A 806 4.421 0.710 5.985 1.00 0.00 H new ATOM 0 HA SER A 806 3.550 -1.570 7.659 1.00 0.00 H new ATOM 0 HB2 SER A 806 5.895 -2.240 7.867 1.00 0.00 H new ATOM 0 HB3 SER A 806 5.424 -2.257 6.179 1.00 0.00 H new ATOM 0 HG SER A 806 7.466 -1.209 6.509 1.00 0.00 H new ATOM 347 N GLY A 807 4.427 -0.472 9.776 1.00 0.00 N ATOM 348 CA GLY A 807 4.638 0.317 10.976 1.00 0.00 C ATOM 349 C GLY A 807 3.380 1.031 11.429 1.00 0.00 C ATOM 350 O GLY A 807 3.439 2.164 11.909 1.00 0.00 O ATOM 0 H GLY A 807 4.172 -1.446 9.942 1.00 0.00 H new ATOM 0 HA2 GLY A 807 4.992 -0.333 11.777 1.00 0.00 H new ATOM 0 HA3 GLY A 807 5.422 1.051 10.791 1.00 0.00 H new ATOM 354 N LEU A 808 2.238 0.370 11.276 1.00 0.00 N ATOM 355 CA LEU A 808 0.959 0.950 11.671 1.00 0.00 C ATOM 356 C LEU A 808 0.545 0.463 13.056 1.00 0.00 C ATOM 357 O LEU A 808 0.772 -0.688 13.429 1.00 0.00 O ATOM 358 CB LEU A 808 -0.122 0.595 10.649 1.00 0.00 C ATOM 359 CG LEU A 808 -0.131 1.427 9.365 1.00 0.00 C ATOM 360 CD1 LEU A 808 -0.947 0.733 8.286 1.00 0.00 C ATOM 361 CD2 LEU A 808 -0.678 2.820 9.637 1.00 0.00 C ATOM 0 H LEU A 808 2.171 -0.568 10.881 1.00 0.00 H new ATOM 0 HA LEU A 808 1.075 2.033 11.706 1.00 0.00 H new ATOM 0 HB2 LEU A 808 -0.007 -0.454 10.378 1.00 0.00 H new ATOM 0 HB3 LEU A 808 -1.095 0.695 11.130 1.00 0.00 H new ATOM 0 HG LEU A 808 0.895 1.524 9.010 1.00 0.00 H new ATOM 0 HD11 LEU A 808 -0.942 1.339 7.380 1.00 0.00 H new ATOM 0 HD12 LEU A 808 -0.512 -0.243 8.072 1.00 0.00 H new ATOM 0 HD13 LEU A 808 -1.973 0.605 8.632 1.00 0.00 H new ATOM 0 HD21 LEU A 808 -0.677 3.398 8.713 1.00 0.00 H new ATOM 0 HD22 LEU A 808 -1.697 2.743 10.016 1.00 0.00 H new ATOM 0 HD23 LEU A 808 -0.052 3.318 10.377 1.00 0.00 H new ATOM 373 N PRO A 809 -0.078 1.358 13.836 1.00 0.00 N ATOM 374 CA PRO A 809 -0.540 1.041 15.191 1.00 0.00 C ATOM 375 C PRO A 809 -1.719 0.074 15.191 1.00 0.00 C ATOM 376 O PRO A 809 -2.742 0.327 14.554 1.00 0.00 O ATOM 377 CB PRO A 809 -0.965 2.402 15.748 1.00 0.00 C ATOM 378 CG PRO A 809 -1.306 3.213 14.546 1.00 0.00 C ATOM 379 CD PRO A 809 -0.381 2.748 13.456 1.00 0.00 C ATOM 0 HA PRO A 809 0.233 0.546 15.779 1.00 0.00 H new ATOM 0 HB2 PRO A 809 -1.820 2.306 16.417 1.00 0.00 H new ATOM 0 HB3 PRO A 809 -0.161 2.863 16.322 1.00 0.00 H new ATOM 0 HG2 PRO A 809 -2.348 3.069 14.261 1.00 0.00 H new ATOM 0 HG3 PRO A 809 -1.173 4.277 14.743 1.00 0.00 H new ATOM 0 HD2 PRO A 809 -0.855 2.802 12.476 1.00 0.00 H new ATOM 0 HD3 PRO A 809 0.522 3.357 13.408 1.00 0.00 H new ATOM 387 N PHE A 810 -1.569 -1.034 15.908 1.00 0.00 N ATOM 388 CA PHE A 810 -2.622 -2.040 15.990 1.00 0.00 C ATOM 389 C PHE A 810 -3.994 -1.383 16.111 1.00 0.00 C ATOM 390 O PHE A 810 -4.986 -1.891 15.588 1.00 0.00 O ATOM 391 CB PHE A 810 -2.381 -2.966 17.184 1.00 0.00 C ATOM 392 CG PHE A 810 -0.930 -3.274 17.420 1.00 0.00 C ATOM 393 CD1 PHE A 810 -0.160 -3.852 16.423 1.00 0.00 C ATOM 394 CD2 PHE A 810 -0.335 -2.987 18.638 1.00 0.00 C ATOM 395 CE1 PHE A 810 1.176 -4.137 16.636 1.00 0.00 C ATOM 396 CE2 PHE A 810 1.000 -3.269 18.857 1.00 0.00 C ATOM 397 CZ PHE A 810 1.756 -3.846 17.855 1.00 0.00 C ATOM 0 H PHE A 810 -0.729 -1.259 16.441 1.00 0.00 H new ATOM 0 HA PHE A 810 -2.600 -2.628 15.073 1.00 0.00 H new ATOM 0 HB2 PHE A 810 -2.797 -2.506 18.080 1.00 0.00 H new ATOM 0 HB3 PHE A 810 -2.921 -3.899 17.025 1.00 0.00 H new ATOM 0 HD1 PHE A 810 -0.609 -4.083 15.468 1.00 0.00 H new ATOM 0 HD2 PHE A 810 -0.922 -2.538 19.426 1.00 0.00 H new ATOM 0 HE1 PHE A 810 1.765 -4.586 15.850 1.00 0.00 H new ATOM 0 HE2 PHE A 810 1.452 -3.039 19.810 1.00 0.00 H new ATOM 0 HZ PHE A 810 2.799 -4.069 18.025 1.00 0.00 H new ATOM 407 N SER A 811 -4.042 -0.251 16.806 1.00 0.00 N ATOM 408 CA SER A 811 -5.292 0.475 17.000 1.00 0.00 C ATOM 409 C SER A 811 -5.966 0.763 15.662 1.00 0.00 C ATOM 410 O SER A 811 -7.140 0.446 15.466 1.00 0.00 O ATOM 411 CB SER A 811 -5.035 1.785 17.747 1.00 0.00 C ATOM 412 OG SER A 811 -4.613 1.539 19.078 1.00 0.00 O ATOM 0 H SER A 811 -3.230 0.183 17.244 1.00 0.00 H new ATOM 0 HA SER A 811 -5.958 -0.150 17.595 1.00 0.00 H new ATOM 0 HB2 SER A 811 -4.275 2.363 17.222 1.00 0.00 H new ATOM 0 HB3 SER A 811 -5.944 2.387 17.756 1.00 0.00 H new ATOM 0 HG SER A 811 -4.454 2.392 19.534 1.00 0.00 H new ATOM 418 N CYS A 812 -5.216 1.365 14.747 1.00 0.00 N ATOM 419 CA CYS A 812 -5.741 1.698 13.427 1.00 0.00 C ATOM 420 C CYS A 812 -6.606 0.565 12.884 1.00 0.00 C ATOM 421 O CYS A 812 -6.500 -0.579 13.328 1.00 0.00 O ATOM 422 CB CYS A 812 -4.594 1.989 12.458 1.00 0.00 C ATOM 423 SG CYS A 812 -5.021 3.144 11.134 1.00 0.00 S ATOM 0 H CYS A 812 -4.243 1.633 14.894 1.00 0.00 H new ATOM 0 HA CYS A 812 -6.361 2.589 13.524 1.00 0.00 H new ATOM 0 HB2 CYS A 812 -3.752 2.392 13.020 1.00 0.00 H new ATOM 0 HB3 CYS A 812 -4.261 1.051 12.014 1.00 0.00 H new ATOM 0 HG CYS A 812 -3.987 3.328 10.368 1.00 0.00 H new ATOM 429 N THR A 813 -7.463 0.890 11.922 1.00 0.00 N ATOM 430 CA THR A 813 -8.349 -0.099 11.321 1.00 0.00 C ATOM 431 C THR A 813 -8.617 0.222 9.855 1.00 0.00 C ATOM 432 O THR A 813 -8.333 1.326 9.388 1.00 0.00 O ATOM 433 CB THR A 813 -9.692 -0.179 12.071 1.00 0.00 C ATOM 434 OG1 THR A 813 -10.482 -1.253 11.547 1.00 0.00 O ATOM 435 CG2 THR A 813 -10.460 1.128 11.948 1.00 0.00 C ATOM 0 H THR A 813 -7.563 1.831 11.542 1.00 0.00 H new ATOM 0 HA THR A 813 -7.843 -1.062 11.393 1.00 0.00 H new ATOM 0 HB THR A 813 -9.484 -0.361 13.125 1.00 0.00 H new ATOM 0 HG1 THR A 813 -11.334 -1.299 12.030 1.00 0.00 H new ATOM 0 HG21 THR A 813 -11.405 1.047 12.486 1.00 0.00 H new ATOM 0 HG22 THR A 813 -9.869 1.939 12.373 1.00 0.00 H new ATOM 0 HG23 THR A 813 -10.658 1.336 10.897 1.00 0.00 H new ATOM 443 N LYS A 814 -9.166 -0.748 9.132 1.00 0.00 N ATOM 444 CA LYS A 814 -9.474 -0.569 7.719 1.00 0.00 C ATOM 445 C LYS A 814 -10.196 0.754 7.482 1.00 0.00 C ATOM 446 O LYS A 814 -9.774 1.562 6.656 1.00 0.00 O ATOM 447 CB LYS A 814 -10.335 -1.729 7.213 1.00 0.00 C ATOM 448 CG LYS A 814 -10.233 -1.954 5.714 1.00 0.00 C ATOM 449 CD LYS A 814 -11.467 -2.655 5.170 1.00 0.00 C ATOM 450 CE LYS A 814 -11.339 -4.167 5.274 1.00 0.00 C ATOM 451 NZ LYS A 814 -11.735 -4.666 6.621 1.00 0.00 N ATOM 0 H LYS A 814 -9.407 -1.667 9.502 1.00 0.00 H new ATOM 0 HA LYS A 814 -8.534 -0.554 7.167 1.00 0.00 H new ATOM 0 HB2 LYS A 814 -10.040 -2.642 7.730 1.00 0.00 H new ATOM 0 HB3 LYS A 814 -11.376 -1.538 7.473 1.00 0.00 H new ATOM 0 HG2 LYS A 814 -10.105 -0.996 5.209 1.00 0.00 H new ATOM 0 HG3 LYS A 814 -9.348 -2.551 5.494 1.00 0.00 H new ATOM 0 HD2 LYS A 814 -12.347 -2.324 5.721 1.00 0.00 H new ATOM 0 HD3 LYS A 814 -11.618 -2.372 4.128 1.00 0.00 H new ATOM 0 HE2 LYS A 814 -11.963 -4.637 4.514 1.00 0.00 H new ATOM 0 HE3 LYS A 814 -10.310 -4.459 5.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 814 -11.994 -5.671 6.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 814 -10.938 -4.556 7.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 814 -12.549 -4.120 6.968 1.00 0.00 H new ATOM 465 N GLU A 815 -11.285 0.968 8.214 1.00 0.00 N ATOM 466 CA GLU A 815 -12.063 2.194 8.084 1.00 0.00 C ATOM 467 C GLU A 815 -11.151 3.417 8.053 1.00 0.00 C ATOM 468 O GLU A 815 -11.077 4.123 7.048 1.00 0.00 O ATOM 469 CB GLU A 815 -13.061 2.316 9.238 1.00 0.00 C ATOM 470 CG GLU A 815 -14.169 1.278 9.197 1.00 0.00 C ATOM 471 CD GLU A 815 -15.265 1.633 8.212 1.00 0.00 C ATOM 472 OE1 GLU A 815 -15.840 2.734 8.336 1.00 0.00 O ATOM 473 OE2 GLU A 815 -15.549 0.809 7.317 1.00 0.00 O ATOM 0 H GLU A 815 -11.648 0.309 8.902 1.00 0.00 H new ATOM 0 HA GLU A 815 -12.611 2.148 7.143 1.00 0.00 H new ATOM 0 HB2 GLU A 815 -12.524 2.225 10.182 1.00 0.00 H new ATOM 0 HB3 GLU A 815 -13.506 3.311 9.219 1.00 0.00 H new ATOM 0 HG2 GLU A 815 -13.745 0.310 8.930 1.00 0.00 H new ATOM 0 HG3 GLU A 815 -14.600 1.173 10.192 1.00 0.00 H new ATOM 480 N GLU A 816 -10.460 3.660 9.162 1.00 0.00 N ATOM 481 CA GLU A 816 -9.554 4.798 9.263 1.00 0.00 C ATOM 482 C GLU A 816 -8.697 4.924 8.006 1.00 0.00 C ATOM 483 O GLU A 816 -8.841 5.874 7.235 1.00 0.00 O ATOM 484 CB GLU A 816 -8.656 4.657 10.494 1.00 0.00 C ATOM 485 CG GLU A 816 -9.345 5.030 11.795 1.00 0.00 C ATOM 486 CD GLU A 816 -9.462 6.530 11.984 1.00 0.00 C ATOM 487 OE1 GLU A 816 -8.424 7.220 11.913 1.00 0.00 O ATOM 488 OE2 GLU A 816 -10.593 7.013 12.203 1.00 0.00 O ATOM 0 H GLU A 816 -10.510 3.085 10.003 1.00 0.00 H new ATOM 0 HA GLU A 816 -10.156 5.701 9.364 1.00 0.00 H new ATOM 0 HB2 GLU A 816 -8.304 3.627 10.561 1.00 0.00 H new ATOM 0 HB3 GLU A 816 -7.776 5.287 10.365 1.00 0.00 H new ATOM 0 HG2 GLU A 816 -10.340 4.586 11.815 1.00 0.00 H new ATOM 0 HG3 GLU A 816 -8.790 4.604 12.631 1.00 0.00 H new ATOM 495 N LEU A 817 -7.805 3.960 7.807 1.00 0.00 N ATOM 496 CA LEU A 817 -6.923 3.962 6.645 1.00 0.00 C ATOM 497 C LEU A 817 -7.691 4.332 5.380 1.00 0.00 C ATOM 498 O LEU A 817 -7.404 5.345 4.743 1.00 0.00 O ATOM 499 CB LEU A 817 -6.268 2.590 6.475 1.00 0.00 C ATOM 500 CG LEU A 817 -4.981 2.559 5.649 1.00 0.00 C ATOM 501 CD1 LEU A 817 -3.987 3.584 6.171 1.00 0.00 C ATOM 502 CD2 LEU A 817 -4.371 1.165 5.665 1.00 0.00 C ATOM 0 H LEU A 817 -7.673 3.167 8.435 1.00 0.00 H new ATOM 0 HA LEU A 817 -6.147 4.710 6.809 1.00 0.00 H new ATOM 0 HB2 LEU A 817 -6.051 2.188 7.465 1.00 0.00 H new ATOM 0 HB3 LEU A 817 -6.991 1.919 6.010 1.00 0.00 H new ATOM 0 HG LEU A 817 -5.227 2.814 4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 817 -3.078 3.547 5.571 1.00 0.00 H new ATOM 0 HD12 LEU A 817 -4.424 4.580 6.107 1.00 0.00 H new ATOM 0 HD13 LEU A 817 -3.745 3.360 7.210 1.00 0.00 H new ATOM 0 HD21 LEU A 817 -3.456 1.161 5.072 1.00 0.00 H new ATOM 0 HD22 LEU A 817 -4.140 0.881 6.692 1.00 0.00 H new ATOM 0 HD23 LEU A 817 -5.080 0.453 5.243 1.00 0.00 H new ATOM 514 N GLU A 818 -8.669 3.505 5.024 1.00 0.00 N ATOM 515 CA GLU A 818 -9.478 3.746 3.835 1.00 0.00 C ATOM 516 C GLU A 818 -9.878 5.216 3.739 1.00 0.00 C ATOM 517 O GLU A 818 -9.656 5.864 2.716 1.00 0.00 O ATOM 518 CB GLU A 818 -10.730 2.867 3.856 1.00 0.00 C ATOM 519 CG GLU A 818 -11.678 3.129 2.698 1.00 0.00 C ATOM 520 CD GLU A 818 -12.568 4.334 2.933 1.00 0.00 C ATOM 521 OE1 GLU A 818 -13.323 4.327 3.928 1.00 0.00 O ATOM 522 OE2 GLU A 818 -12.510 5.283 2.124 1.00 0.00 O ATOM 0 H GLU A 818 -8.920 2.663 5.542 1.00 0.00 H new ATOM 0 HA GLU A 818 -8.878 3.491 2.961 1.00 0.00 H new ATOM 0 HB2 GLU A 818 -10.429 1.820 3.838 1.00 0.00 H new ATOM 0 HB3 GLU A 818 -11.262 3.029 4.794 1.00 0.00 H new ATOM 0 HG2 GLU A 818 -11.099 3.282 1.787 1.00 0.00 H new ATOM 0 HG3 GLU A 818 -12.300 2.249 2.536 1.00 0.00 H new ATOM 529 N GLU A 819 -10.469 5.734 4.811 1.00 0.00 N ATOM 530 CA GLU A 819 -10.900 7.127 4.846 1.00 0.00 C ATOM 531 C GLU A 819 -9.760 8.060 4.451 1.00 0.00 C ATOM 532 O GLU A 819 -9.968 9.048 3.745 1.00 0.00 O ATOM 533 CB GLU A 819 -11.411 7.490 6.242 1.00 0.00 C ATOM 534 CG GLU A 819 -12.851 7.074 6.491 1.00 0.00 C ATOM 535 CD GLU A 819 -13.285 7.306 7.925 1.00 0.00 C ATOM 536 OE1 GLU A 819 -12.953 6.467 8.789 1.00 0.00 O ATOM 537 OE2 GLU A 819 -13.958 8.326 8.184 1.00 0.00 O ATOM 0 H GLU A 819 -10.660 5.211 5.666 1.00 0.00 H new ATOM 0 HA GLU A 819 -11.710 7.248 4.127 1.00 0.00 H new ATOM 0 HB2 GLU A 819 -10.771 7.018 6.988 1.00 0.00 H new ATOM 0 HB3 GLU A 819 -11.323 8.567 6.383 1.00 0.00 H new ATOM 0 HG2 GLU A 819 -13.507 7.631 5.822 1.00 0.00 H new ATOM 0 HG3 GLU A 819 -12.968 6.018 6.246 1.00 0.00 H new ATOM 544 N ILE A 820 -8.555 7.740 4.911 1.00 0.00 N ATOM 545 CA ILE A 820 -7.382 8.549 4.605 1.00 0.00 C ATOM 546 C ILE A 820 -6.908 8.312 3.176 1.00 0.00 C ATOM 547 O ILE A 820 -6.337 9.202 2.544 1.00 0.00 O ATOM 548 CB ILE A 820 -6.223 8.249 5.575 1.00 0.00 C ATOM 549 CG1 ILE A 820 -6.683 8.424 7.023 1.00 0.00 C ATOM 550 CG2 ILE A 820 -5.036 9.153 5.277 1.00 0.00 C ATOM 551 CD1 ILE A 820 -5.779 7.748 8.030 1.00 0.00 C ATOM 0 H ILE A 820 -8.366 6.927 5.497 1.00 0.00 H new ATOM 0 HA ILE A 820 -7.679 9.592 4.718 1.00 0.00 H new ATOM 0 HB ILE A 820 -5.910 7.214 5.436 1.00 0.00 H new ATOM 0 HG12 ILE A 820 -6.737 9.488 7.252 1.00 0.00 H new ATOM 0 HG13 ILE A 820 -7.692 8.024 7.126 1.00 0.00 H new ATOM 0 HG21 ILE A 820 -4.225 8.929 5.970 1.00 0.00 H new ATOM 0 HG22 ILE A 820 -4.697 8.983 4.255 1.00 0.00 H new ATOM 0 HG23 ILE A 820 -5.334 10.195 5.392 1.00 0.00 H new ATOM 0 HD11 ILE A 820 -6.166 7.914 9.035 1.00 0.00 H new ATOM 0 HD12 ILE A 820 -5.744 6.678 7.827 1.00 0.00 H new ATOM 0 HD13 ILE A 820 -4.775 8.165 7.955 1.00 0.00 H new ATOM 563 N CYS A 821 -7.149 7.108 2.670 1.00 0.00 N ATOM 564 CA CYS A 821 -6.748 6.753 1.313 1.00 0.00 C ATOM 565 C CYS A 821 -7.599 7.490 0.285 1.00 0.00 C ATOM 566 O CYS A 821 -7.075 8.140 -0.620 1.00 0.00 O ATOM 567 CB CYS A 821 -6.866 5.243 1.103 1.00 0.00 C ATOM 568 SG CYS A 821 -5.578 4.280 1.928 1.00 0.00 S ATOM 0 H CYS A 821 -7.620 6.360 3.179 1.00 0.00 H new ATOM 0 HA CYS A 821 -5.708 7.051 1.178 1.00 0.00 H new ATOM 0 HB2 CYS A 821 -7.840 4.912 1.464 1.00 0.00 H new ATOM 0 HB3 CYS A 821 -6.834 5.032 0.034 1.00 0.00 H new ATOM 0 HG CYS A 821 -5.764 3.015 1.693 1.00 0.00 H new ATOM 574 N LYS A 822 -8.916 7.384 0.428 1.00 0.00 N ATOM 575 CA LYS A 822 -9.841 8.039 -0.488 1.00 0.00 C ATOM 576 C LYS A 822 -9.603 9.546 -0.517 1.00 0.00 C ATOM 577 O LYS A 822 -10.102 10.246 -1.398 1.00 0.00 O ATOM 578 CB LYS A 822 -11.287 7.749 -0.080 1.00 0.00 C ATOM 579 CG LYS A 822 -11.640 8.254 1.309 1.00 0.00 C ATOM 580 CD LYS A 822 -13.137 8.464 1.462 1.00 0.00 C ATOM 581 CE LYS A 822 -13.464 9.242 2.727 1.00 0.00 C ATOM 582 NZ LYS A 822 -14.932 9.325 2.963 1.00 0.00 N ATOM 0 H LYS A 822 -9.367 6.850 1.171 1.00 0.00 H new ATOM 0 HA LYS A 822 -9.665 7.641 -1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 822 -11.959 8.207 -0.806 1.00 0.00 H new ATOM 0 HB3 LYS A 822 -11.459 6.673 -0.121 1.00 0.00 H new ATOM 0 HG2 LYS A 822 -11.294 7.540 2.056 1.00 0.00 H new ATOM 0 HG3 LYS A 822 -11.119 9.192 1.499 1.00 0.00 H new ATOM 0 HD2 LYS A 822 -13.521 9.000 0.594 1.00 0.00 H new ATOM 0 HD3 LYS A 822 -13.640 7.498 1.488 1.00 0.00 H new ATOM 0 HE2 LYS A 822 -12.985 8.764 3.581 1.00 0.00 H new ATOM 0 HE3 LYS A 822 -13.051 10.248 2.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 822 -15.114 9.863 3.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 822 -15.386 9.804 2.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 822 -15.323 8.366 3.060 1.00 0.00 H new ATOM 596 N ALA A 823 -8.837 10.038 0.451 1.00 0.00 N ATOM 597 CA ALA A 823 -8.530 11.460 0.534 1.00 0.00 C ATOM 598 C ALA A 823 -7.556 11.876 -0.563 1.00 0.00 C ATOM 599 O ALA A 823 -7.593 13.010 -1.043 1.00 0.00 O ATOM 600 CB ALA A 823 -7.960 11.798 1.904 1.00 0.00 C ATOM 0 H ALA A 823 -8.418 9.472 1.189 1.00 0.00 H new ATOM 0 HA ALA A 823 -9.457 12.015 0.391 1.00 0.00 H new ATOM 0 HB1 ALA A 823 -7.735 12.864 1.952 1.00 0.00 H new ATOM 0 HB2 ALA A 823 -8.689 11.546 2.674 1.00 0.00 H new ATOM 0 HB3 ALA A 823 -7.046 11.227 2.069 1.00 0.00 H new ATOM 606 N HIS A 824 -6.684 10.953 -0.956 1.00 0.00 N ATOM 607 CA HIS A 824 -5.700 11.225 -1.997 1.00 0.00 C ATOM 608 C HIS A 824 -6.301 11.011 -3.383 1.00 0.00 C ATOM 609 O HIS A 824 -6.058 11.790 -4.303 1.00 0.00 O ATOM 610 CB HIS A 824 -4.474 10.328 -1.816 1.00 0.00 C ATOM 611 CG HIS A 824 -3.732 10.579 -0.540 1.00 0.00 C ATOM 612 ND1 HIS A 824 -3.234 11.816 -0.190 1.00 0.00 N ATOM 613 CD2 HIS A 824 -3.405 9.743 0.473 1.00 0.00 C ATOM 614 CE1 HIS A 824 -2.631 11.730 0.983 1.00 0.00 C ATOM 615 NE2 HIS A 824 -2.722 10.482 1.407 1.00 0.00 N ATOM 0 H HIS A 824 -6.639 10.010 -0.569 1.00 0.00 H new ATOM 0 HA HIS A 824 -5.395 12.268 -1.910 1.00 0.00 H new ATOM 0 HB2 HIS A 824 -4.790 9.285 -1.844 1.00 0.00 H new ATOM 0 HB3 HIS A 824 -3.796 10.479 -2.656 1.00 0.00 H new ATOM 0 HD1 HIS A 824 -3.318 12.665 -0.749 1.00 0.00 H new ATOM 0 HD2 HIS A 824 -3.638 8.690 0.535 1.00 0.00 H new ATOM 0 HE1 HIS A 824 -2.147 12.541 1.506 1.00 0.00 H new ATOM 623 N GLY A 825 -7.088 9.948 -3.524 1.00 0.00 N ATOM 624 CA GLY A 825 -7.711 9.650 -4.800 1.00 0.00 C ATOM 625 C GLY A 825 -8.918 8.743 -4.659 1.00 0.00 C ATOM 626 O GLY A 825 -9.771 8.961 -3.798 1.00 0.00 O ATOM 0 H GLY A 825 -7.305 9.288 -2.777 1.00 0.00 H new ATOM 0 HA2 GLY A 825 -8.014 10.581 -5.279 1.00 0.00 H new ATOM 0 HA3 GLY A 825 -6.980 9.177 -5.456 1.00 0.00 H new ATOM 630 N THR A 826 -8.992 7.723 -5.507 1.00 0.00 N ATOM 631 CA THR A 826 -10.103 6.781 -5.476 1.00 0.00 C ATOM 632 C THR A 826 -9.644 5.403 -5.013 1.00 0.00 C ATOM 633 O THR A 826 -8.865 4.737 -5.693 1.00 0.00 O ATOM 634 CB THR A 826 -10.768 6.650 -6.859 1.00 0.00 C ATOM 635 OG1 THR A 826 -11.179 7.939 -7.329 1.00 0.00 O ATOM 636 CG2 THR A 826 -11.971 5.721 -6.795 1.00 0.00 C ATOM 0 H THR A 826 -8.294 7.528 -6.225 1.00 0.00 H new ATOM 0 HA THR A 826 -10.831 7.175 -4.767 1.00 0.00 H new ATOM 0 HB THR A 826 -10.039 6.227 -7.550 1.00 0.00 H new ATOM 0 HG1 THR A 826 -11.599 7.847 -8.210 1.00 0.00 H new ATOM 0 HG21 THR A 826 -12.424 5.644 -7.783 1.00 0.00 H new ATOM 0 HG22 THR A 826 -11.650 4.733 -6.465 1.00 0.00 H new ATOM 0 HG23 THR A 826 -12.701 6.120 -6.091 1.00 0.00 H new ATOM 644 N VAL A 827 -10.133 4.981 -3.851 1.00 0.00 N ATOM 645 CA VAL A 827 -9.774 3.681 -3.297 1.00 0.00 C ATOM 646 C VAL A 827 -10.566 2.562 -3.964 1.00 0.00 C ATOM 647 O VAL A 827 -11.776 2.442 -3.769 1.00 0.00 O ATOM 648 CB VAL A 827 -10.016 3.632 -1.777 1.00 0.00 C ATOM 649 CG1 VAL A 827 -9.613 2.277 -1.216 1.00 0.00 C ATOM 650 CG2 VAL A 827 -9.259 4.753 -1.080 1.00 0.00 C ATOM 0 H VAL A 827 -10.779 5.521 -3.275 1.00 0.00 H new ATOM 0 HA VAL A 827 -8.711 3.536 -3.492 1.00 0.00 H new ATOM 0 HB VAL A 827 -11.081 3.774 -1.592 1.00 0.00 H new ATOM 0 HG11 VAL A 827 -9.791 2.261 -0.141 1.00 0.00 H new ATOM 0 HG12 VAL A 827 -10.204 1.495 -1.693 1.00 0.00 H new ATOM 0 HG13 VAL A 827 -8.555 2.102 -1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 827 -9.442 4.703 -0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 827 -8.191 4.645 -1.272 1.00 0.00 H new ATOM 0 HG23 VAL A 827 -9.601 5.715 -1.462 1.00 0.00 H new ATOM 660 N LYS A 828 -9.876 1.744 -4.752 1.00 0.00 N ATOM 661 CA LYS A 828 -10.514 0.633 -5.447 1.00 0.00 C ATOM 662 C LYS A 828 -10.697 -0.560 -4.514 1.00 0.00 C ATOM 663 O LYS A 828 -11.764 -1.172 -4.475 1.00 0.00 O ATOM 664 CB LYS A 828 -9.681 0.219 -6.662 1.00 0.00 C ATOM 665 CG LYS A 828 -9.758 1.204 -7.816 1.00 0.00 C ATOM 666 CD LYS A 828 -11.112 1.151 -8.504 1.00 0.00 C ATOM 667 CE LYS A 828 -11.263 -0.109 -9.342 1.00 0.00 C ATOM 668 NZ LYS A 828 -12.467 -0.053 -10.216 1.00 0.00 N ATOM 0 H LYS A 828 -8.874 1.830 -4.925 1.00 0.00 H new ATOM 0 HA LYS A 828 -11.497 0.964 -5.783 1.00 0.00 H new ATOM 0 HB2 LYS A 828 -8.640 0.109 -6.358 1.00 0.00 H new ATOM 0 HB3 LYS A 828 -10.017 -0.759 -7.007 1.00 0.00 H new ATOM 0 HG2 LYS A 828 -9.575 2.213 -7.447 1.00 0.00 H new ATOM 0 HG3 LYS A 828 -8.973 0.982 -8.538 1.00 0.00 H new ATOM 0 HD2 LYS A 828 -11.903 1.188 -7.755 1.00 0.00 H new ATOM 0 HD3 LYS A 828 -11.233 2.028 -9.139 1.00 0.00 H new ATOM 0 HE2 LYS A 828 -10.374 -0.245 -9.957 1.00 0.00 H new ATOM 0 HE3 LYS A 828 -11.331 -0.976 -8.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 828 -12.534 -0.930 -10.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 828 -13.318 0.051 -9.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 828 -12.390 0.759 -10.861 1.00 0.00 H new ATOM 682 N ASP A 829 -9.650 -0.883 -3.763 1.00 0.00 N ATOM 683 CA ASP A 829 -9.697 -2.001 -2.827 1.00 0.00 C ATOM 684 C ASP A 829 -8.633 -1.848 -1.745 1.00 0.00 C ATOM 685 O ASP A 829 -7.520 -1.391 -2.012 1.00 0.00 O ATOM 686 CB ASP A 829 -9.500 -3.324 -3.570 1.00 0.00 C ATOM 687 CG ASP A 829 -10.769 -3.801 -4.248 1.00 0.00 C ATOM 688 OD1 ASP A 829 -11.863 -3.566 -3.693 1.00 0.00 O ATOM 689 OD2 ASP A 829 -10.669 -4.410 -5.334 1.00 0.00 O ATOM 0 H ASP A 829 -8.759 -0.387 -3.784 1.00 0.00 H new ATOM 0 HA ASP A 829 -10.677 -2.003 -2.350 1.00 0.00 H new ATOM 0 HB2 ASP A 829 -8.715 -3.205 -4.317 1.00 0.00 H new ATOM 0 HB3 ASP A 829 -9.159 -4.085 -2.868 1.00 0.00 H new ATOM 694 N LEU A 830 -8.981 -2.232 -0.522 1.00 0.00 N ATOM 695 CA LEU A 830 -8.056 -2.137 0.603 1.00 0.00 C ATOM 696 C LEU A 830 -8.108 -3.399 1.458 1.00 0.00 C ATOM 697 O LEU A 830 -9.184 -3.926 1.741 1.00 0.00 O ATOM 698 CB LEU A 830 -8.387 -0.914 1.459 1.00 0.00 C ATOM 699 CG LEU A 830 -7.252 -0.379 2.333 1.00 0.00 C ATOM 700 CD1 LEU A 830 -7.607 0.991 2.890 1.00 0.00 C ATOM 701 CD2 LEU A 830 -6.945 -1.353 3.462 1.00 0.00 C ATOM 0 H LEU A 830 -9.897 -2.612 -0.283 1.00 0.00 H new ATOM 0 HA LEU A 830 -7.047 -2.031 0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 830 -8.719 -0.113 0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 830 -9.229 -1.164 2.105 1.00 0.00 H new ATOM 0 HG LEU A 830 -6.360 -0.277 1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 830 -6.787 1.355 3.509 1.00 0.00 H new ATOM 0 HD12 LEU A 830 -7.777 1.685 2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 830 -8.512 0.915 3.493 1.00 0.00 H new ATOM 0 HD21 LEU A 830 -6.135 -0.957 4.074 1.00 0.00 H new ATOM 0 HD22 LEU A 830 -7.834 -1.487 4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 830 -6.646 -2.314 3.043 1.00 0.00 H new ATOM 713 N ARG A 831 -6.938 -3.878 1.869 1.00 0.00 N ATOM 714 CA ARG A 831 -6.849 -5.077 2.693 1.00 0.00 C ATOM 715 C ARG A 831 -5.811 -4.902 3.797 1.00 0.00 C ATOM 716 O ARG A 831 -4.808 -4.210 3.618 1.00 0.00 O ATOM 717 CB ARG A 831 -6.493 -6.289 1.830 1.00 0.00 C ATOM 718 CG ARG A 831 -5.035 -6.324 1.401 1.00 0.00 C ATOM 719 CD ARG A 831 -4.690 -7.631 0.706 1.00 0.00 C ATOM 720 NE ARG A 831 -5.061 -7.615 -0.707 1.00 0.00 N ATOM 721 CZ ARG A 831 -4.769 -8.595 -1.554 1.00 0.00 C ATOM 722 NH1 ARG A 831 -4.108 -9.665 -1.134 1.00 0.00 N ATOM 723 NH2 ARG A 831 -5.141 -8.508 -2.825 1.00 0.00 N ATOM 0 H ARG A 831 -6.038 -3.453 1.644 1.00 0.00 H new ATOM 0 HA ARG A 831 -7.822 -5.243 3.156 1.00 0.00 H new ATOM 0 HB2 ARG A 831 -6.722 -7.199 2.385 1.00 0.00 H new ATOM 0 HB3 ARG A 831 -7.125 -6.290 0.942 1.00 0.00 H new ATOM 0 HG2 ARG A 831 -4.832 -5.489 0.730 1.00 0.00 H new ATOM 0 HG3 ARG A 831 -4.395 -6.195 2.274 1.00 0.00 H new ATOM 0 HD2 ARG A 831 -3.620 -7.819 0.798 1.00 0.00 H new ATOM 0 HD3 ARG A 831 -5.202 -8.453 1.206 1.00 0.00 H new ATOM 0 HE ARG A 831 -5.572 -6.807 -1.062 1.00 0.00 H new ATOM 0 HH11 ARG A 831 -3.822 -9.737 -0.158 1.00 0.00 H new ATOM 0 HH12 ARG A 831 -3.885 -10.416 -1.787 1.00 0.00 H new ATOM 0 HH21 ARG A 831 -5.652 -7.688 -3.152 1.00 0.00 H new ATOM 0 HH22 ARG A 831 -4.916 -9.261 -3.475 1.00 0.00 H new ATOM 737 N LEU A 832 -6.059 -5.533 4.940 1.00 0.00 N ATOM 738 CA LEU A 832 -5.146 -5.448 6.075 1.00 0.00 C ATOM 739 C LEU A 832 -4.469 -6.790 6.331 1.00 0.00 C ATOM 740 O LEU A 832 -5.079 -7.847 6.167 1.00 0.00 O ATOM 741 CB LEU A 832 -5.899 -4.996 7.327 1.00 0.00 C ATOM 742 CG LEU A 832 -6.441 -3.566 7.306 1.00 0.00 C ATOM 743 CD1 LEU A 832 -7.243 -3.280 8.566 1.00 0.00 C ATOM 744 CD2 LEU A 832 -5.302 -2.567 7.158 1.00 0.00 C ATOM 0 H LEU A 832 -6.884 -6.109 5.105 1.00 0.00 H new ATOM 0 HA LEU A 832 -4.376 -4.714 5.837 1.00 0.00 H new ATOM 0 HB2 LEU A 832 -6.734 -5.677 7.490 1.00 0.00 H new ATOM 0 HB3 LEU A 832 -5.233 -5.098 8.184 1.00 0.00 H new ATOM 0 HG LEU A 832 -7.104 -3.461 6.447 1.00 0.00 H new ATOM 0 HD11 LEU A 832 -7.620 -2.258 8.533 1.00 0.00 H new ATOM 0 HD12 LEU A 832 -8.081 -3.974 8.629 1.00 0.00 H new ATOM 0 HD13 LEU A 832 -6.603 -3.402 9.440 1.00 0.00 H new ATOM 0 HD21 LEU A 832 -5.705 -1.555 7.145 1.00 0.00 H new ATOM 0 HD22 LEU A 832 -4.614 -2.673 7.997 1.00 0.00 H new ATOM 0 HD23 LEU A 832 -4.770 -2.758 6.226 1.00 0.00 H new ATOM 756 N VAL A 833 -3.204 -6.741 6.737 1.00 0.00 N ATOM 757 CA VAL A 833 -2.444 -7.953 7.020 1.00 0.00 C ATOM 758 C VAL A 833 -2.584 -8.360 8.482 1.00 0.00 C ATOM 759 O VAL A 833 -2.365 -7.555 9.387 1.00 0.00 O ATOM 760 CB VAL A 833 -0.951 -7.769 6.690 1.00 0.00 C ATOM 761 CG1 VAL A 833 -0.159 -9.004 7.092 1.00 0.00 C ATOM 762 CG2 VAL A 833 -0.766 -7.465 5.211 1.00 0.00 C ATOM 0 H VAL A 833 -2.684 -5.875 6.877 1.00 0.00 H new ATOM 0 HA VAL A 833 -2.854 -8.739 6.386 1.00 0.00 H new ATOM 0 HB VAL A 833 -0.572 -6.922 7.262 1.00 0.00 H new ATOM 0 HG11 VAL A 833 0.894 -8.856 6.851 1.00 0.00 H new ATOM 0 HG12 VAL A 833 -0.266 -9.172 8.164 1.00 0.00 H new ATOM 0 HG13 VAL A 833 -0.536 -9.871 6.550 1.00 0.00 H new ATOM 0 HG21 VAL A 833 0.295 -7.338 4.996 1.00 0.00 H new ATOM 0 HG22 VAL A 833 -1.160 -8.290 4.618 1.00 0.00 H new ATOM 0 HG23 VAL A 833 -1.300 -6.549 4.958 1.00 0.00 H new ATOM 772 N THR A 834 -2.951 -9.618 8.708 1.00 0.00 N ATOM 773 CA THR A 834 -3.121 -10.134 10.061 1.00 0.00 C ATOM 774 C THR A 834 -2.186 -11.310 10.322 1.00 0.00 C ATOM 775 O THR A 834 -1.412 -11.705 9.452 1.00 0.00 O ATOM 776 CB THR A 834 -4.573 -10.581 10.313 1.00 0.00 C ATOM 777 OG1 THR A 834 -4.870 -11.744 9.532 1.00 0.00 O ATOM 778 CG2 THR A 834 -5.550 -9.467 9.966 1.00 0.00 C ATOM 0 H THR A 834 -3.136 -10.298 7.971 1.00 0.00 H new ATOM 0 HA THR A 834 -2.876 -9.320 10.743 1.00 0.00 H new ATOM 0 HB THR A 834 -4.679 -10.818 11.372 1.00 0.00 H new ATOM 0 HG1 THR A 834 -5.794 -12.023 9.699 1.00 0.00 H new ATOM 0 HG21 THR A 834 -6.569 -9.806 10.152 1.00 0.00 H new ATOM 0 HG22 THR A 834 -5.340 -8.593 10.583 1.00 0.00 H new ATOM 0 HG23 THR A 834 -5.442 -9.203 8.914 1.00 0.00 H new ATOM 786 N ASN A 835 -2.265 -11.865 11.527 1.00 0.00 N ATOM 787 CA ASN A 835 -1.425 -12.997 11.903 1.00 0.00 C ATOM 788 C ASN A 835 -2.276 -14.222 12.224 1.00 0.00 C ATOM 789 O ASN A 835 -3.505 -14.160 12.202 1.00 0.00 O ATOM 790 CB ASN A 835 -0.557 -12.635 13.110 1.00 0.00 C ATOM 791 CG ASN A 835 -1.358 -12.554 14.395 1.00 0.00 C ATOM 792 OD1 ASN A 835 -1.239 -13.412 15.270 1.00 0.00 O ATOM 793 ND2 ASN A 835 -2.180 -11.518 14.515 1.00 0.00 N ATOM 0 H ASN A 835 -2.901 -11.550 12.259 1.00 0.00 H new ATOM 0 HA ASN A 835 -0.780 -13.236 11.058 1.00 0.00 H new ATOM 0 HB2 ASN A 835 0.232 -13.379 13.223 1.00 0.00 H new ATOM 0 HB3 ASN A 835 -0.069 -11.678 12.929 1.00 0.00 H new ATOM 0 HD21 ASN A 835 -2.744 -11.410 15.358 1.00 0.00 H new ATOM 0 HD22 ASN A 835 -2.247 -10.830 13.765 1.00 0.00 H new ATOM 800 N ARG A 836 -1.612 -15.335 12.520 1.00 0.00 N ATOM 801 CA ARG A 836 -2.307 -16.575 12.844 1.00 0.00 C ATOM 802 C ARG A 836 -3.368 -16.340 13.916 1.00 0.00 C ATOM 803 O ARG A 836 -4.277 -17.150 14.091 1.00 0.00 O ATOM 804 CB ARG A 836 -1.310 -17.633 13.322 1.00 0.00 C ATOM 805 CG ARG A 836 -1.930 -19.006 13.523 1.00 0.00 C ATOM 806 CD ARG A 836 -2.135 -19.724 12.198 1.00 0.00 C ATOM 807 NE ARG A 836 -2.875 -20.973 12.361 1.00 0.00 N ATOM 808 CZ ARG A 836 -3.262 -21.736 11.345 1.00 0.00 C ATOM 809 NH1 ARG A 836 -2.980 -21.380 10.099 1.00 0.00 N ATOM 810 NH2 ARG A 836 -3.932 -22.858 11.574 1.00 0.00 N ATOM 0 H ARG A 836 -0.595 -15.403 12.542 1.00 0.00 H new ATOM 0 HA ARG A 836 -2.801 -16.932 11.940 1.00 0.00 H new ATOM 0 HB2 ARG A 836 -0.501 -17.712 12.596 1.00 0.00 H new ATOM 0 HB3 ARG A 836 -0.865 -17.303 14.261 1.00 0.00 H new ATOM 0 HG2 ARG A 836 -1.287 -19.606 14.168 1.00 0.00 H new ATOM 0 HG3 ARG A 836 -2.887 -18.903 14.034 1.00 0.00 H new ATOM 0 HD2 ARG A 836 -2.673 -19.071 11.511 1.00 0.00 H new ATOM 0 HD3 ARG A 836 -1.166 -19.933 11.745 1.00 0.00 H new ATOM 0 HE ARG A 836 -3.107 -21.276 13.307 1.00 0.00 H new ATOM 0 HH11 ARG A 836 -2.465 -20.518 9.919 1.00 0.00 H new ATOM 0 HH12 ARG A 836 -3.278 -21.968 9.321 1.00 0.00 H new ATOM 0 HH21 ARG A 836 -4.150 -23.135 12.531 1.00 0.00 H new ATOM 0 HH22 ARG A 836 -4.229 -23.443 10.793 1.00 0.00 H new ATOM 824 N ALA A 837 -3.244 -15.226 14.630 1.00 0.00 N ATOM 825 CA ALA A 837 -4.192 -14.884 15.683 1.00 0.00 C ATOM 826 C ALA A 837 -5.349 -14.056 15.132 1.00 0.00 C ATOM 827 O ALA A 837 -6.513 -14.330 15.420 1.00 0.00 O ATOM 828 CB ALA A 837 -3.488 -14.131 16.802 1.00 0.00 C ATOM 0 H ALA A 837 -2.496 -14.545 14.498 1.00 0.00 H new ATOM 0 HA ALA A 837 -4.602 -15.811 16.085 1.00 0.00 H new ATOM 0 HB1 ALA A 837 -4.208 -13.882 17.582 1.00 0.00 H new ATOM 0 HB2 ALA A 837 -2.700 -14.756 17.222 1.00 0.00 H new ATOM 0 HB3 ALA A 837 -3.051 -13.215 16.405 1.00 0.00 H new ATOM 834 N GLY A 838 -5.019 -13.042 14.338 1.00 0.00 N ATOM 835 CA GLY A 838 -6.042 -12.190 13.760 1.00 0.00 C ATOM 836 C GLY A 838 -5.709 -10.717 13.888 1.00 0.00 C ATOM 837 O GLY A 838 -6.003 -9.926 12.991 1.00 0.00 O ATOM 0 H GLY A 838 -4.062 -12.795 14.085 1.00 0.00 H new ATOM 0 HA2 GLY A 838 -6.167 -12.441 12.707 1.00 0.00 H new ATOM 0 HA3 GLY A 838 -6.995 -12.388 14.250 1.00 0.00 H new ATOM 841 N LYS A 839 -5.096 -10.345 15.006 1.00 0.00 N ATOM 842 CA LYS A 839 -4.722 -8.957 15.249 1.00 0.00 C ATOM 843 C LYS A 839 -3.942 -8.388 14.069 1.00 0.00 C ATOM 844 O LYS A 839 -3.356 -9.120 13.270 1.00 0.00 O ATOM 845 CB LYS A 839 -3.886 -8.848 16.527 1.00 0.00 C ATOM 846 CG LYS A 839 -4.716 -8.859 17.799 1.00 0.00 C ATOM 847 CD LYS A 839 -4.068 -8.026 18.893 1.00 0.00 C ATOM 848 CE LYS A 839 -4.680 -8.322 20.254 1.00 0.00 C ATOM 849 NZ LYS A 839 -5.993 -7.641 20.431 1.00 0.00 N ATOM 0 H LYS A 839 -4.847 -10.986 15.759 1.00 0.00 H new ATOM 0 HA LYS A 839 -5.637 -8.377 15.370 1.00 0.00 H new ATOM 0 HB2 LYS A 839 -3.177 -9.675 16.559 1.00 0.00 H new ATOM 0 HB3 LYS A 839 -3.302 -7.928 16.492 1.00 0.00 H new ATOM 0 HG2 LYS A 839 -5.713 -8.472 17.588 1.00 0.00 H new ATOM 0 HG3 LYS A 839 -4.839 -9.885 18.146 1.00 0.00 H new ATOM 0 HD2 LYS A 839 -2.998 -8.230 18.922 1.00 0.00 H new ATOM 0 HD3 LYS A 839 -4.184 -6.967 18.663 1.00 0.00 H new ATOM 0 HE2 LYS A 839 -4.811 -9.398 20.367 1.00 0.00 H new ATOM 0 HE3 LYS A 839 -3.995 -8.000 21.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 839 -6.378 -7.867 21.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 839 -5.864 -6.612 20.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 839 -6.655 -7.967 19.698 1.00 0.00 H new ATOM 863 N PRO A 840 -3.931 -7.052 13.954 1.00 0.00 N ATOM 864 CA PRO A 840 -3.224 -6.356 12.875 1.00 0.00 C ATOM 865 C PRO A 840 -1.709 -6.454 13.016 1.00 0.00 C ATOM 866 O PRO A 840 -1.134 -5.982 13.998 1.00 0.00 O ATOM 867 CB PRO A 840 -3.682 -4.904 13.029 1.00 0.00 C ATOM 868 CG PRO A 840 -4.060 -4.776 14.465 1.00 0.00 C ATOM 869 CD PRO A 840 -4.607 -6.117 14.869 1.00 0.00 C ATOM 0 HA PRO A 840 -3.447 -6.786 11.899 1.00 0.00 H new ATOM 0 HB2 PRO A 840 -2.886 -4.208 12.766 1.00 0.00 H new ATOM 0 HB3 PRO A 840 -4.527 -4.684 12.376 1.00 0.00 H new ATOM 0 HG2 PRO A 840 -3.197 -4.507 15.074 1.00 0.00 H new ATOM 0 HG3 PRO A 840 -4.805 -3.992 14.604 1.00 0.00 H new ATOM 0 HD2 PRO A 840 -4.385 -6.344 15.912 1.00 0.00 H new ATOM 0 HD3 PRO A 840 -5.691 -6.159 14.758 1.00 0.00 H new ATOM 877 N LYS A 841 -1.066 -7.070 12.030 1.00 0.00 N ATOM 878 CA LYS A 841 0.384 -7.229 12.043 1.00 0.00 C ATOM 879 C LYS A 841 1.080 -5.901 11.762 1.00 0.00 C ATOM 880 O LYS A 841 2.291 -5.776 11.934 1.00 0.00 O ATOM 881 CB LYS A 841 0.812 -8.271 11.006 1.00 0.00 C ATOM 882 CG LYS A 841 0.611 -9.704 11.466 1.00 0.00 C ATOM 883 CD LYS A 841 1.246 -10.693 10.502 1.00 0.00 C ATOM 884 CE LYS A 841 2.757 -10.739 10.665 1.00 0.00 C ATOM 885 NZ LYS A 841 3.163 -11.539 11.854 1.00 0.00 N ATOM 0 H LYS A 841 -1.526 -7.468 11.211 1.00 0.00 H new ATOM 0 HA LYS A 841 0.678 -7.570 13.036 1.00 0.00 H new ATOM 0 HB2 LYS A 841 0.248 -8.110 10.087 1.00 0.00 H new ATOM 0 HB3 LYS A 841 1.864 -8.120 10.764 1.00 0.00 H new ATOM 0 HG2 LYS A 841 1.043 -9.833 12.458 1.00 0.00 H new ATOM 0 HG3 LYS A 841 -0.455 -9.913 11.553 1.00 0.00 H new ATOM 0 HD2 LYS A 841 0.830 -11.686 10.672 1.00 0.00 H new ATOM 0 HD3 LYS A 841 0.998 -10.415 9.478 1.00 0.00 H new ATOM 0 HE2 LYS A 841 3.206 -11.167 9.769 1.00 0.00 H new ATOM 0 HE3 LYS A 841 3.143 -9.724 10.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 4.200 -11.546 11.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 2.756 -11.116 12.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 2.817 -12.514 11.751 1.00 0.00 H new ATOM 899 N GLY A 842 0.304 -4.912 11.330 1.00 0.00 N ATOM 900 CA GLY A 842 0.864 -3.606 11.034 1.00 0.00 C ATOM 901 C GLY A 842 0.886 -3.308 9.548 1.00 0.00 C ATOM 902 O GLY A 842 0.630 -2.178 9.130 1.00 0.00 O ATOM 0 H GLY A 842 -0.702 -4.991 11.180 1.00 0.00 H new ATOM 0 HA2 GLY A 842 0.282 -2.840 11.546 1.00 0.00 H new ATOM 0 HA3 GLY A 842 1.879 -3.552 11.427 1.00 0.00 H new ATOM 906 N LEU A 843 1.194 -4.322 8.748 1.00 0.00 N ATOM 907 CA LEU A 843 1.251 -4.163 7.299 1.00 0.00 C ATOM 908 C LEU A 843 -0.145 -3.958 6.718 1.00 0.00 C ATOM 909 O LEU A 843 -1.093 -4.644 7.098 1.00 0.00 O ATOM 910 CB LEU A 843 1.907 -5.387 6.657 1.00 0.00 C ATOM 911 CG LEU A 843 3.245 -5.822 7.255 1.00 0.00 C ATOM 912 CD1 LEU A 843 3.667 -7.172 6.696 1.00 0.00 C ATOM 913 CD2 LEU A 843 4.315 -4.774 6.987 1.00 0.00 C ATOM 0 H LEU A 843 1.408 -5.263 9.078 1.00 0.00 H new ATOM 0 HA LEU A 843 1.850 -3.279 7.079 1.00 0.00 H new ATOM 0 HB2 LEU A 843 1.212 -6.224 6.725 1.00 0.00 H new ATOM 0 HB3 LEU A 843 2.055 -5.181 5.597 1.00 0.00 H new ATOM 0 HG LEU A 843 3.123 -5.921 8.334 1.00 0.00 H new ATOM 0 HD11 LEU A 843 4.622 -7.465 7.133 1.00 0.00 H new ATOM 0 HD12 LEU A 843 2.912 -7.919 6.940 1.00 0.00 H new ATOM 0 HD13 LEU A 843 3.771 -7.101 5.613 1.00 0.00 H new ATOM 0 HD21 LEU A 843 5.261 -5.101 7.420 1.00 0.00 H new ATOM 0 HD22 LEU A 843 4.434 -4.643 5.912 1.00 0.00 H new ATOM 0 HD23 LEU A 843 4.018 -3.827 7.437 1.00 0.00 H new ATOM 925 N ALA A 844 -0.262 -3.010 5.794 1.00 0.00 N ATOM 926 CA ALA A 844 -1.541 -2.717 5.158 1.00 0.00 C ATOM 927 C ALA A 844 -1.379 -2.551 3.651 1.00 0.00 C ATOM 928 O ALA A 844 -0.424 -1.930 3.184 1.00 0.00 O ATOM 929 CB ALA A 844 -2.158 -1.465 5.765 1.00 0.00 C ATOM 0 H ALA A 844 0.513 -2.432 5.469 1.00 0.00 H new ATOM 0 HA ALA A 844 -2.208 -3.560 5.335 1.00 0.00 H new ATOM 0 HB1 ALA A 844 -3.112 -1.258 5.281 1.00 0.00 H new ATOM 0 HB2 ALA A 844 -2.318 -1.619 6.832 1.00 0.00 H new ATOM 0 HB3 ALA A 844 -1.486 -0.620 5.618 1.00 0.00 H new ATOM 935 N TYR A 845 -2.317 -3.110 2.895 1.00 0.00 N ATOM 936 CA TYR A 845 -2.276 -3.027 1.440 1.00 0.00 C ATOM 937 C TYR A 845 -3.392 -2.129 0.914 1.00 0.00 C ATOM 938 O TYR A 845 -4.511 -2.144 1.428 1.00 0.00 O ATOM 939 CB TYR A 845 -2.397 -4.422 0.825 1.00 0.00 C ATOM 940 CG TYR A 845 -1.066 -5.108 0.614 1.00 0.00 C ATOM 941 CD1 TYR A 845 -0.423 -5.758 1.660 1.00 0.00 C ATOM 942 CD2 TYR A 845 -0.451 -5.106 -0.633 1.00 0.00 C ATOM 943 CE1 TYR A 845 0.793 -6.385 1.471 1.00 0.00 C ATOM 944 CE2 TYR A 845 0.764 -5.732 -0.831 1.00 0.00 C ATOM 945 CZ TYR A 845 1.383 -6.370 0.224 1.00 0.00 C ATOM 946 OH TYR A 845 2.594 -6.994 0.032 1.00 0.00 O ATOM 0 H TYR A 845 -3.115 -3.626 3.266 1.00 0.00 H new ATOM 0 HA TYR A 845 -1.318 -2.592 1.153 1.00 0.00 H new ATOM 0 HB2 TYR A 845 -3.018 -5.042 1.472 1.00 0.00 H new ATOM 0 HB3 TYR A 845 -2.912 -4.344 -0.132 1.00 0.00 H new ATOM 0 HD1 TYR A 845 -0.882 -5.773 2.638 1.00 0.00 H new ATOM 0 HD2 TYR A 845 -0.932 -4.606 -1.461 1.00 0.00 H new ATOM 0 HE1 TYR A 845 1.280 -6.885 2.296 1.00 0.00 H new ATOM 0 HE2 TYR A 845 1.227 -5.722 -1.807 1.00 0.00 H new ATOM 0 HH TYR A 845 2.870 -6.891 -0.903 1.00 0.00 H new ATOM 956 N VAL A 846 -3.079 -1.348 -0.115 1.00 0.00 N ATOM 957 CA VAL A 846 -4.054 -0.444 -0.713 1.00 0.00 C ATOM 958 C VAL A 846 -4.111 -0.621 -2.226 1.00 0.00 C ATOM 959 O VAL A 846 -3.137 -1.043 -2.848 1.00 0.00 O ATOM 960 CB VAL A 846 -3.727 1.026 -0.391 1.00 0.00 C ATOM 961 CG1 VAL A 846 -4.749 1.953 -1.032 1.00 0.00 C ATOM 962 CG2 VAL A 846 -3.670 1.242 1.114 1.00 0.00 C ATOM 0 H VAL A 846 -2.158 -1.323 -0.552 1.00 0.00 H new ATOM 0 HA VAL A 846 -5.024 -0.695 -0.284 1.00 0.00 H new ATOM 0 HB VAL A 846 -2.747 1.261 -0.806 1.00 0.00 H new ATOM 0 HG11 VAL A 846 -4.502 2.987 -0.794 1.00 0.00 H new ATOM 0 HG12 VAL A 846 -4.736 1.817 -2.113 1.00 0.00 H new ATOM 0 HG13 VAL A 846 -5.742 1.720 -0.649 1.00 0.00 H new ATOM 0 HG21 VAL A 846 -3.438 2.286 1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 846 -4.634 0.989 1.555 1.00 0.00 H new ATOM 0 HG23 VAL A 846 -2.897 0.605 1.544 1.00 0.00 H new ATOM 972 N GLU A 847 -5.259 -0.294 -2.812 1.00 0.00 N ATOM 973 CA GLU A 847 -5.443 -0.417 -4.253 1.00 0.00 C ATOM 974 C GLU A 847 -6.201 0.785 -4.809 1.00 0.00 C ATOM 975 O GLU A 847 -7.401 0.936 -4.580 1.00 0.00 O ATOM 976 CB GLU A 847 -6.196 -1.707 -4.585 1.00 0.00 C ATOM 977 CG GLU A 847 -5.906 -2.240 -5.978 1.00 0.00 C ATOM 978 CD GLU A 847 -6.854 -1.685 -7.023 1.00 0.00 C ATOM 979 OE1 GLU A 847 -8.074 -1.925 -6.905 1.00 0.00 O ATOM 980 OE2 GLU A 847 -6.377 -1.010 -7.960 1.00 0.00 O ATOM 0 H GLU A 847 -6.075 0.058 -2.311 1.00 0.00 H new ATOM 0 HA GLU A 847 -4.458 -0.450 -4.718 1.00 0.00 H new ATOM 0 HB2 GLU A 847 -5.934 -2.470 -3.852 1.00 0.00 H new ATOM 0 HB3 GLU A 847 -7.267 -1.527 -4.490 1.00 0.00 H new ATOM 0 HG2 GLU A 847 -4.881 -1.990 -6.253 1.00 0.00 H new ATOM 0 HG3 GLU A 847 -5.977 -3.328 -5.969 1.00 0.00 H new ATOM 987 N TYR A 848 -5.491 1.637 -5.541 1.00 0.00 N ATOM 988 CA TYR A 848 -6.095 2.827 -6.128 1.00 0.00 C ATOM 989 C TYR A 848 -6.634 2.532 -7.525 1.00 0.00 C ATOM 990 O TYR A 848 -6.596 1.393 -7.988 1.00 0.00 O ATOM 991 CB TYR A 848 -5.073 3.963 -6.193 1.00 0.00 C ATOM 992 CG TYR A 848 -4.983 4.770 -4.918 1.00 0.00 C ATOM 993 CD1 TYR A 848 -4.399 4.237 -3.775 1.00 0.00 C ATOM 994 CD2 TYR A 848 -5.482 6.065 -4.855 1.00 0.00 C ATOM 995 CE1 TYR A 848 -4.315 4.970 -2.607 1.00 0.00 C ATOM 996 CE2 TYR A 848 -5.401 6.806 -3.692 1.00 0.00 C ATOM 997 CZ TYR A 848 -4.817 6.255 -2.571 1.00 0.00 C ATOM 998 OH TYR A 848 -4.735 6.989 -1.410 1.00 0.00 O ATOM 0 H TYR A 848 -4.497 1.525 -5.742 1.00 0.00 H new ATOM 0 HA TYR A 848 -6.928 3.132 -5.494 1.00 0.00 H new ATOM 0 HB2 TYR A 848 -4.092 3.545 -6.419 1.00 0.00 H new ATOM 0 HB3 TYR A 848 -5.333 4.628 -7.016 1.00 0.00 H new ATOM 0 HD1 TYR A 848 -4.004 3.232 -3.800 1.00 0.00 H new ATOM 0 HD2 TYR A 848 -5.941 6.500 -5.730 1.00 0.00 H new ATOM 0 HE1 TYR A 848 -3.859 4.540 -1.727 1.00 0.00 H new ATOM 0 HE2 TYR A 848 -5.793 7.812 -3.661 1.00 0.00 H new ATOM 0 HH TYR A 848 -5.614 7.367 -1.199 1.00 0.00 H new ATOM 1008 N GLU A 849 -7.134 3.569 -8.190 1.00 0.00 N ATOM 1009 CA GLU A 849 -7.681 3.421 -9.533 1.00 0.00 C ATOM 1010 C GLU A 849 -6.583 3.549 -10.585 1.00 0.00 C ATOM 1011 O GLU A 849 -6.485 2.730 -11.498 1.00 0.00 O ATOM 1012 CB GLU A 849 -8.767 4.470 -9.784 1.00 0.00 C ATOM 1013 CG GLU A 849 -9.420 4.356 -11.151 1.00 0.00 C ATOM 1014 CD GLU A 849 -10.228 3.082 -11.307 1.00 0.00 C ATOM 1015 OE1 GLU A 849 -9.614 2.002 -11.430 1.00 0.00 O ATOM 1016 OE2 GLU A 849 -11.474 3.166 -11.307 1.00 0.00 O ATOM 0 H GLU A 849 -7.171 4.519 -7.821 1.00 0.00 H new ATOM 0 HA GLU A 849 -8.121 2.427 -9.611 1.00 0.00 H new ATOM 0 HB2 GLU A 849 -9.534 4.377 -9.015 1.00 0.00 H new ATOM 0 HB3 GLU A 849 -8.331 5.464 -9.681 1.00 0.00 H new ATOM 0 HG2 GLU A 849 -10.070 5.216 -11.312 1.00 0.00 H new ATOM 0 HG3 GLU A 849 -8.650 4.390 -11.921 1.00 0.00 H new ATOM 1023 N ASN A 850 -5.760 4.584 -10.449 1.00 0.00 N ATOM 1024 CA ASN A 850 -4.669 4.821 -11.388 1.00 0.00 C ATOM 1025 C ASN A 850 -3.327 4.864 -10.663 1.00 0.00 C ATOM 1026 O ASN A 850 -3.260 4.666 -9.451 1.00 0.00 O ATOM 1027 CB ASN A 850 -4.895 6.132 -12.145 1.00 0.00 C ATOM 1028 CG ASN A 850 -4.948 7.332 -11.219 1.00 0.00 C ATOM 1029 OD1 ASN A 850 -4.398 7.305 -10.118 1.00 0.00 O ATOM 1030 ND2 ASN A 850 -5.611 8.393 -11.663 1.00 0.00 N ATOM 0 H ASN A 850 -5.828 5.271 -9.698 1.00 0.00 H new ATOM 0 HA ASN A 850 -4.651 3.996 -12.101 1.00 0.00 H new ATOM 0 HB2 ASN A 850 -4.094 6.272 -12.871 1.00 0.00 H new ATOM 0 HB3 ASN A 850 -5.827 6.068 -12.707 1.00 0.00 H new ATOM 0 HD21 ASN A 850 -5.680 9.230 -11.084 1.00 0.00 H new ATOM 0 HD22 ASN A 850 -6.052 8.371 -12.583 1.00 0.00 H new ATOM 1037 N GLU A 851 -2.263 5.126 -11.415 1.00 0.00 N ATOM 1038 CA GLU A 851 -0.923 5.195 -10.843 1.00 0.00 C ATOM 1039 C GLU A 851 -0.672 6.560 -10.210 1.00 0.00 C ATOM 1040 O GLU A 851 -0.129 6.655 -9.108 1.00 0.00 O ATOM 1041 CB GLU A 851 0.129 4.918 -11.919 1.00 0.00 C ATOM 1042 CG GLU A 851 -0.321 3.915 -12.968 1.00 0.00 C ATOM 1043 CD GLU A 851 -0.711 2.579 -12.367 1.00 0.00 C ATOM 1044 OE1 GLU A 851 -0.431 2.361 -11.170 1.00 0.00 O ATOM 1045 OE2 GLU A 851 -1.296 1.750 -13.096 1.00 0.00 O ATOM 0 H GLU A 851 -2.302 5.294 -12.420 1.00 0.00 H new ATOM 0 HA GLU A 851 -0.847 4.434 -10.066 1.00 0.00 H new ATOM 0 HB2 GLU A 851 0.387 5.855 -12.412 1.00 0.00 H new ATOM 0 HB3 GLU A 851 1.036 4.549 -11.441 1.00 0.00 H new ATOM 0 HG2 GLU A 851 -1.170 4.324 -13.516 1.00 0.00 H new ATOM 0 HG3 GLU A 851 0.482 3.764 -13.689 1.00 0.00 H new ATOM 1052 N SER A 852 -1.069 7.615 -10.914 1.00 0.00 N ATOM 1053 CA SER A 852 -0.884 8.976 -10.423 1.00 0.00 C ATOM 1054 C SER A 852 -1.331 9.095 -8.969 1.00 0.00 C ATOM 1055 O SER A 852 -0.527 9.379 -8.083 1.00 0.00 O ATOM 1056 CB SER A 852 -1.664 9.964 -11.291 1.00 0.00 C ATOM 1057 OG SER A 852 -1.236 11.295 -11.059 1.00 0.00 O ATOM 0 H SER A 852 -1.521 7.554 -11.826 1.00 0.00 H new ATOM 0 HA SER A 852 0.178 9.215 -10.479 1.00 0.00 H new ATOM 0 HB2 SER A 852 -1.529 9.714 -12.343 1.00 0.00 H new ATOM 0 HB3 SER A 852 -2.729 9.879 -11.077 1.00 0.00 H new ATOM 0 HG SER A 852 -1.749 11.907 -11.627 1.00 0.00 H new ATOM 1063 N GLN A 853 -2.621 8.875 -8.734 1.00 0.00 N ATOM 1064 CA GLN A 853 -3.176 8.958 -7.388 1.00 0.00 C ATOM 1065 C GLN A 853 -2.295 8.216 -6.389 1.00 0.00 C ATOM 1066 O GLN A 853 -1.898 8.771 -5.365 1.00 0.00 O ATOM 1067 CB GLN A 853 -4.593 8.383 -7.362 1.00 0.00 C ATOM 1068 CG GLN A 853 -5.633 9.298 -7.988 1.00 0.00 C ATOM 1069 CD GLN A 853 -7.028 8.704 -7.959 1.00 0.00 C ATOM 1070 OE1 GLN A 853 -7.997 9.383 -7.618 1.00 0.00 O ATOM 1071 NE2 GLN A 853 -7.136 7.430 -8.317 1.00 0.00 N ATOM 0 H GLN A 853 -3.300 8.638 -9.457 1.00 0.00 H new ATOM 0 HA GLN A 853 -3.212 10.009 -7.101 1.00 0.00 H new ATOM 0 HB2 GLN A 853 -4.598 7.428 -7.887 1.00 0.00 H new ATOM 0 HB3 GLN A 853 -4.875 8.180 -6.329 1.00 0.00 H new ATOM 0 HG2 GLN A 853 -5.637 10.251 -7.460 1.00 0.00 H new ATOM 0 HG3 GLN A 853 -5.353 9.507 -9.020 1.00 0.00 H new ATOM 0 HE21 GLN A 853 -6.306 6.905 -8.592 1.00 0.00 H new ATOM 0 HE22 GLN A 853 -8.049 6.976 -8.317 1.00 0.00 H new ATOM 1080 N ALA A 854 -1.994 6.958 -6.693 1.00 0.00 N ATOM 1081 CA ALA A 854 -1.159 6.140 -5.822 1.00 0.00 C ATOM 1082 C ALA A 854 0.111 6.885 -5.422 1.00 0.00 C ATOM 1083 O ALA A 854 0.344 7.143 -4.241 1.00 0.00 O ATOM 1084 CB ALA A 854 -0.809 4.827 -6.507 1.00 0.00 C ATOM 0 H ALA A 854 -2.316 6.483 -7.536 1.00 0.00 H new ATOM 0 HA ALA A 854 -1.724 5.925 -4.915 1.00 0.00 H new ATOM 0 HB1 ALA A 854 -0.185 4.226 -5.845 1.00 0.00 H new ATOM 0 HB2 ALA A 854 -1.724 4.281 -6.737 1.00 0.00 H new ATOM 0 HB3 ALA A 854 -0.267 5.031 -7.430 1.00 0.00 H new ATOM 1090 N SER A 855 0.928 7.227 -6.413 1.00 0.00 N ATOM 1091 CA SER A 855 2.176 7.938 -6.163 1.00 0.00 C ATOM 1092 C SER A 855 1.966 9.070 -5.163 1.00 0.00 C ATOM 1093 O SER A 855 2.565 9.082 -4.088 1.00 0.00 O ATOM 1094 CB SER A 855 2.741 8.495 -7.471 1.00 0.00 C ATOM 1095 OG SER A 855 4.150 8.628 -7.403 1.00 0.00 O ATOM 0 H SER A 855 0.748 7.023 -7.396 1.00 0.00 H new ATOM 0 HA SER A 855 2.889 7.231 -5.739 1.00 0.00 H new ATOM 0 HB2 SER A 855 2.474 7.835 -8.296 1.00 0.00 H new ATOM 0 HB3 SER A 855 2.291 9.465 -7.681 1.00 0.00 H new ATOM 0 HG SER A 855 4.486 8.984 -8.252 1.00 0.00 H new ATOM 1101 N GLN A 856 1.110 10.020 -5.526 1.00 0.00 N ATOM 1102 CA GLN A 856 0.820 11.158 -4.661 1.00 0.00 C ATOM 1103 C GLN A 856 0.606 10.706 -3.220 1.00 0.00 C ATOM 1104 O GLN A 856 1.204 11.251 -2.293 1.00 0.00 O ATOM 1105 CB GLN A 856 -0.417 11.905 -5.163 1.00 0.00 C ATOM 1106 CG GLN A 856 -0.408 13.388 -4.832 1.00 0.00 C ATOM 1107 CD GLN A 856 0.521 14.181 -5.731 1.00 0.00 C ATOM 1108 OE1 GLN A 856 1.056 13.656 -6.707 1.00 0.00 O ATOM 1109 NE2 GLN A 856 0.717 15.453 -5.405 1.00 0.00 N ATOM 0 H GLN A 856 0.605 10.024 -6.412 1.00 0.00 H new ATOM 0 HA GLN A 856 1.677 11.830 -4.688 1.00 0.00 H new ATOM 0 HB2 GLN A 856 -0.491 11.783 -6.244 1.00 0.00 H new ATOM 0 HB3 GLN A 856 -1.307 11.450 -4.729 1.00 0.00 H new ATOM 0 HG2 GLN A 856 -1.420 13.783 -4.923 1.00 0.00 H new ATOM 0 HG3 GLN A 856 -0.105 13.523 -3.794 1.00 0.00 H new ATOM 0 HE21 GLN A 856 0.253 15.847 -4.587 1.00 0.00 H new ATOM 0 HE22 GLN A 856 1.332 16.036 -5.973 1.00 0.00 H new ATOM 1118 N ALA A 857 -0.251 9.706 -3.040 1.00 0.00 N ATOM 1119 CA ALA A 857 -0.542 9.180 -1.712 1.00 0.00 C ATOM 1120 C ALA A 857 0.711 8.601 -1.064 1.00 0.00 C ATOM 1121 O ALA A 857 0.900 8.704 0.148 1.00 0.00 O ATOM 1122 CB ALA A 857 -1.634 8.124 -1.791 1.00 0.00 C ATOM 0 H ALA A 857 -0.756 9.244 -3.797 1.00 0.00 H new ATOM 0 HA ALA A 857 -0.893 10.004 -1.090 1.00 0.00 H new ATOM 0 HB1 ALA A 857 -1.841 7.740 -0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 857 -2.540 8.567 -2.204 1.00 0.00 H new ATOM 0 HB3 ALA A 857 -1.304 7.307 -2.433 1.00 0.00 H new ATOM 1128 N VAL A 858 1.565 7.990 -1.879 1.00 0.00 N ATOM 1129 CA VAL A 858 2.801 7.395 -1.385 1.00 0.00 C ATOM 1130 C VAL A 858 3.746 8.460 -0.842 1.00 0.00 C ATOM 1131 O VAL A 858 4.283 8.326 0.257 1.00 0.00 O ATOM 1132 CB VAL A 858 3.522 6.600 -2.490 1.00 0.00 C ATOM 1133 CG1 VAL A 858 4.922 6.210 -2.041 1.00 0.00 C ATOM 1134 CG2 VAL A 858 2.714 5.369 -2.874 1.00 0.00 C ATOM 0 H VAL A 858 1.423 7.894 -2.885 1.00 0.00 H new ATOM 0 HA VAL A 858 2.524 6.715 -0.579 1.00 0.00 H new ATOM 0 HB VAL A 858 3.613 7.236 -3.370 1.00 0.00 H new ATOM 0 HG11 VAL A 858 5.416 5.649 -2.835 1.00 0.00 H new ATOM 0 HG12 VAL A 858 5.497 7.109 -1.820 1.00 0.00 H new ATOM 0 HG13 VAL A 858 4.858 5.592 -1.146 1.00 0.00 H new ATOM 0 HG21 VAL A 858 3.238 4.819 -3.656 1.00 0.00 H new ATOM 0 HG22 VAL A 858 2.590 4.728 -2.001 1.00 0.00 H new ATOM 0 HG23 VAL A 858 1.735 5.676 -3.241 1.00 0.00 H new ATOM 1144 N MET A 859 3.943 9.520 -1.619 1.00 0.00 N ATOM 1145 CA MET A 859 4.823 10.611 -1.214 1.00 0.00 C ATOM 1146 C MET A 859 4.323 11.264 0.070 1.00 0.00 C ATOM 1147 O MET A 859 5.102 11.544 0.981 1.00 0.00 O ATOM 1148 CB MET A 859 4.920 11.656 -2.327 1.00 0.00 C ATOM 1149 CG MET A 859 6.048 11.392 -3.312 1.00 0.00 C ATOM 1150 SD MET A 859 7.662 11.864 -2.661 1.00 0.00 S ATOM 1151 CE MET A 859 7.800 13.539 -3.280 1.00 0.00 C ATOM 0 H MET A 859 3.506 9.647 -2.532 1.00 0.00 H new ATOM 0 HA MET A 859 5.814 10.196 -1.028 1.00 0.00 H new ATOM 0 HB2 MET A 859 3.975 11.686 -2.869 1.00 0.00 H new ATOM 0 HB3 MET A 859 5.062 12.640 -1.879 1.00 0.00 H new ATOM 0 HG2 MET A 859 6.060 10.333 -3.570 1.00 0.00 H new ATOM 0 HG3 MET A 859 5.857 11.942 -4.233 1.00 0.00 H new ATOM 0 HE1 MET A 859 8.749 13.968 -2.960 1.00 0.00 H new ATOM 0 HE2 MET A 859 7.755 13.529 -4.369 1.00 0.00 H new ATOM 0 HE3 MET A 859 6.979 14.140 -2.889 1.00 0.00 H new ATOM 1161 N LYS A 860 3.018 11.505 0.137 1.00 0.00 N ATOM 1162 CA LYS A 860 2.413 12.124 1.310 1.00 0.00 C ATOM 1163 C LYS A 860 2.397 11.157 2.489 1.00 0.00 C ATOM 1164 O LYS A 860 3.005 11.418 3.527 1.00 0.00 O ATOM 1165 CB LYS A 860 0.987 12.582 0.993 1.00 0.00 C ATOM 1166 CG LYS A 860 0.927 13.801 0.089 1.00 0.00 C ATOM 1167 CD LYS A 860 0.952 15.091 0.890 1.00 0.00 C ATOM 1168 CE LYS A 860 -0.394 15.370 1.541 1.00 0.00 C ATOM 1169 NZ LYS A 860 -1.347 16.010 0.592 1.00 0.00 N ATOM 0 H LYS A 860 2.359 11.281 -0.608 1.00 0.00 H new ATOM 0 HA LYS A 860 3.015 12.991 1.582 1.00 0.00 H new ATOM 0 HB2 LYS A 860 0.448 11.762 0.519 1.00 0.00 H new ATOM 0 HB3 LYS A 860 0.470 12.806 1.926 1.00 0.00 H new ATOM 0 HG2 LYS A 860 1.770 13.784 -0.602 1.00 0.00 H new ATOM 0 HG3 LYS A 860 0.020 13.764 -0.514 1.00 0.00 H new ATOM 0 HD2 LYS A 860 1.723 15.028 1.658 1.00 0.00 H new ATOM 0 HD3 LYS A 860 1.220 15.921 0.236 1.00 0.00 H new ATOM 0 HE2 LYS A 860 -0.820 14.437 1.909 1.00 0.00 H new ATOM 0 HE3 LYS A 860 -0.252 16.018 2.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 860 -2.252 16.184 1.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 860 -0.952 16.913 0.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 860 -1.503 15.380 -0.221 1.00 0.00 H new ATOM 1183 N MET A 861 1.698 10.039 2.322 1.00 0.00 N ATOM 1184 CA MET A 861 1.605 9.031 3.372 1.00 0.00 C ATOM 1185 C MET A 861 2.993 8.598 3.834 1.00 0.00 C ATOM 1186 O MET A 861 3.201 8.296 5.009 1.00 0.00 O ATOM 1187 CB MET A 861 0.818 7.817 2.876 1.00 0.00 C ATOM 1188 CG MET A 861 -0.653 8.107 2.625 1.00 0.00 C ATOM 1189 SD MET A 861 -1.662 6.613 2.609 1.00 0.00 S ATOM 1190 CE MET A 861 -2.534 6.777 4.165 1.00 0.00 C ATOM 0 H MET A 861 1.188 9.808 1.470 1.00 0.00 H new ATOM 0 HA MET A 861 1.080 9.473 4.219 1.00 0.00 H new ATOM 0 HB2 MET A 861 1.271 7.453 1.954 1.00 0.00 H new ATOM 0 HB3 MET A 861 0.902 7.015 3.610 1.00 0.00 H new ATOM 0 HG2 MET A 861 -1.023 8.782 3.396 1.00 0.00 H new ATOM 0 HG3 MET A 861 -0.760 8.623 1.671 1.00 0.00 H new ATOM 0 HE1 MET A 861 -3.511 6.300 4.086 1.00 0.00 H new ATOM 0 HE2 MET A 861 -1.959 6.297 4.957 1.00 0.00 H new ATOM 0 HE3 MET A 861 -2.664 7.833 4.400 1.00 0.00 H new ATOM 1200 N ASP A 862 3.940 8.570 2.902 1.00 0.00 N ATOM 1201 CA ASP A 862 5.308 8.175 3.213 1.00 0.00 C ATOM 1202 C ASP A 862 5.829 8.933 4.430 1.00 0.00 C ATOM 1203 O ASP A 862 5.987 10.152 4.394 1.00 0.00 O ATOM 1204 CB ASP A 862 6.221 8.426 2.012 1.00 0.00 C ATOM 1205 CG ASP A 862 7.662 8.662 2.418 1.00 0.00 C ATOM 1206 OD1 ASP A 862 8.275 7.739 2.994 1.00 0.00 O ATOM 1207 OD2 ASP A 862 8.177 9.770 2.160 1.00 0.00 O ATOM 0 H ASP A 862 3.784 8.816 1.925 1.00 0.00 H new ATOM 0 HA ASP A 862 5.308 7.109 3.443 1.00 0.00 H new ATOM 0 HB2 ASP A 862 6.172 7.571 1.338 1.00 0.00 H new ATOM 0 HB3 ASP A 862 5.857 9.291 1.457 1.00 0.00 H new ATOM 1212 N GLY A 863 6.094 8.201 5.509 1.00 0.00 N ATOM 1213 CA GLY A 863 6.593 8.821 6.722 1.00 0.00 C ATOM 1214 C GLY A 863 5.600 9.794 7.326 1.00 0.00 C ATOM 1215 O GLY A 863 5.946 10.936 7.630 1.00 0.00 O ATOM 0 H GLY A 863 5.972 7.190 5.564 1.00 0.00 H new ATOM 0 HA2 GLY A 863 6.828 8.047 7.452 1.00 0.00 H new ATOM 0 HA3 GLY A 863 7.523 9.345 6.502 1.00 0.00 H new ATOM 1219 N MET A 864 4.362 9.343 7.500 1.00 0.00 N ATOM 1220 CA MET A 864 3.316 10.183 8.072 1.00 0.00 C ATOM 1221 C MET A 864 2.987 9.748 9.496 1.00 0.00 C ATOM 1222 O MET A 864 3.326 8.639 9.912 1.00 0.00 O ATOM 1223 CB MET A 864 2.056 10.126 7.205 1.00 0.00 C ATOM 1224 CG MET A 864 1.302 8.811 7.316 1.00 0.00 C ATOM 1225 SD MET A 864 -0.345 8.891 6.586 1.00 0.00 S ATOM 1226 CE MET A 864 -1.090 10.186 7.573 1.00 0.00 C ATOM 0 H MET A 864 4.059 8.401 7.253 1.00 0.00 H new ATOM 0 HA MET A 864 3.683 11.209 8.100 1.00 0.00 H new ATOM 0 HB2 MET A 864 1.392 10.942 7.490 1.00 0.00 H new ATOM 0 HB3 MET A 864 2.333 10.290 6.164 1.00 0.00 H new ATOM 0 HG2 MET A 864 1.875 8.025 6.824 1.00 0.00 H new ATOM 0 HG3 MET A 864 1.216 8.533 8.367 1.00 0.00 H new ATOM 0 HE1 MET A 864 -2.124 9.923 7.798 1.00 0.00 H new ATOM 0 HE2 MET A 864 -0.534 10.300 8.504 1.00 0.00 H new ATOM 0 HE3 MET A 864 -1.066 11.125 7.019 1.00 0.00 H new ATOM 1236 N THR A 865 2.326 10.628 10.242 1.00 0.00 N ATOM 1237 CA THR A 865 1.953 10.336 11.620 1.00 0.00 C ATOM 1238 C THR A 865 0.528 9.802 11.703 1.00 0.00 C ATOM 1239 O THR A 865 -0.376 10.315 11.042 1.00 0.00 O ATOM 1240 CB THR A 865 2.074 11.586 12.512 1.00 0.00 C ATOM 1241 OG1 THR A 865 3.222 12.352 12.129 1.00 0.00 O ATOM 1242 CG2 THR A 865 2.184 11.196 13.978 1.00 0.00 C ATOM 0 H THR A 865 2.038 11.550 9.914 1.00 0.00 H new ATOM 0 HA THR A 865 2.645 9.574 11.980 1.00 0.00 H new ATOM 0 HB THR A 865 1.175 12.188 12.379 1.00 0.00 H new ATOM 0 HG1 THR A 865 3.291 13.146 12.700 1.00 0.00 H new ATOM 0 HG21 THR A 865 2.268 12.095 14.588 1.00 0.00 H new ATOM 0 HG22 THR A 865 1.295 10.639 14.274 1.00 0.00 H new ATOM 0 HG23 THR A 865 3.067 10.574 14.124 1.00 0.00 H new ATOM 1250 N ILE A 866 0.334 8.770 12.517 1.00 0.00 N ATOM 1251 CA ILE A 866 -0.983 8.169 12.687 1.00 0.00 C ATOM 1252 C ILE A 866 -1.138 7.570 14.081 1.00 0.00 C ATOM 1253 O ILE A 866 -0.539 6.543 14.398 1.00 0.00 O ATOM 1254 CB ILE A 866 -1.240 7.071 11.638 1.00 0.00 C ATOM 1255 CG1 ILE A 866 -1.312 7.681 10.236 1.00 0.00 C ATOM 1256 CG2 ILE A 866 -2.522 6.319 11.961 1.00 0.00 C ATOM 1257 CD1 ILE A 866 -1.387 6.650 9.132 1.00 0.00 C ATOM 0 H ILE A 866 1.072 8.333 13.069 1.00 0.00 H new ATOM 0 HA ILE A 866 -1.714 8.967 12.553 1.00 0.00 H new ATOM 0 HB ILE A 866 -0.411 6.364 11.664 1.00 0.00 H new ATOM 0 HG12 ILE A 866 -2.185 8.330 10.176 1.00 0.00 H new ATOM 0 HG13 ILE A 866 -0.436 8.309 10.076 1.00 0.00 H new ATOM 0 HG21 ILE A 866 -2.690 5.547 11.211 1.00 0.00 H new ATOM 0 HG22 ILE A 866 -2.435 5.857 12.944 1.00 0.00 H new ATOM 0 HG23 ILE A 866 -3.362 7.014 11.960 1.00 0.00 H new ATOM 0 HD11 ILE A 866 -1.436 7.154 8.167 1.00 0.00 H new ATOM 0 HD12 ILE A 866 -0.501 6.015 9.166 1.00 0.00 H new ATOM 0 HD13 ILE A 866 -2.278 6.037 9.267 1.00 0.00 H new ATOM 1269 N LYS A 867 -1.949 8.220 14.910 1.00 0.00 N ATOM 1270 CA LYS A 867 -2.187 7.752 16.270 1.00 0.00 C ATOM 1271 C LYS A 867 -0.885 7.695 17.062 1.00 0.00 C ATOM 1272 O LYS A 867 -0.638 6.742 17.800 1.00 0.00 O ATOM 1273 CB LYS A 867 -2.843 6.369 16.248 1.00 0.00 C ATOM 1274 CG LYS A 867 -4.243 6.369 15.657 1.00 0.00 C ATOM 1275 CD LYS A 867 -5.260 6.935 16.634 1.00 0.00 C ATOM 1276 CE LYS A 867 -6.454 7.538 15.909 1.00 0.00 C ATOM 1277 NZ LYS A 867 -7.337 6.489 15.328 1.00 0.00 N ATOM 0 H LYS A 867 -2.452 9.072 14.663 1.00 0.00 H new ATOM 0 HA LYS A 867 -2.858 8.459 16.758 1.00 0.00 H new ATOM 0 HB2 LYS A 867 -2.215 5.687 15.674 1.00 0.00 H new ATOM 0 HB3 LYS A 867 -2.887 5.981 17.266 1.00 0.00 H new ATOM 0 HG2 LYS A 867 -4.252 6.957 14.740 1.00 0.00 H new ATOM 0 HG3 LYS A 867 -4.525 5.352 15.386 1.00 0.00 H new ATOM 0 HD2 LYS A 867 -5.601 6.146 17.304 1.00 0.00 H new ATOM 0 HD3 LYS A 867 -4.786 7.697 17.253 1.00 0.00 H new ATOM 0 HE2 LYS A 867 -7.028 8.152 16.603 1.00 0.00 H new ATOM 0 HE3 LYS A 867 -6.102 8.197 15.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 867 -8.139 6.940 14.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 867 -6.796 5.918 14.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 867 -7.693 5.875 16.088 1.00 0.00 H new ATOM 1291 N GLU A 868 -0.057 8.723 16.905 1.00 0.00 N ATOM 1292 CA GLU A 868 1.219 8.789 17.607 1.00 0.00 C ATOM 1293 C GLU A 868 2.161 7.687 17.129 1.00 0.00 C ATOM 1294 O GLU A 868 2.760 6.977 17.935 1.00 0.00 O ATOM 1295 CB GLU A 868 1.003 8.671 19.117 1.00 0.00 C ATOM 1296 CG GLU A 868 2.118 9.291 19.942 1.00 0.00 C ATOM 1297 CD GLU A 868 1.634 9.807 21.283 1.00 0.00 C ATOM 1298 OE1 GLU A 868 0.824 10.758 21.297 1.00 0.00 O ATOM 1299 OE2 GLU A 868 2.065 9.259 22.320 1.00 0.00 O ATOM 0 H GLU A 868 -0.247 9.521 16.298 1.00 0.00 H new ATOM 0 HA GLU A 868 1.675 9.754 17.387 1.00 0.00 H new ATOM 0 HB2 GLU A 868 0.059 9.150 19.379 1.00 0.00 H new ATOM 0 HB3 GLU A 868 0.910 7.618 19.381 1.00 0.00 H new ATOM 0 HG2 GLU A 868 2.901 8.550 20.103 1.00 0.00 H new ATOM 0 HG3 GLU A 868 2.566 10.111 19.382 1.00 0.00 H new ATOM 1306 N ASN A 869 2.284 7.552 15.813 1.00 0.00 N ATOM 1307 CA ASN A 869 3.151 6.536 15.227 1.00 0.00 C ATOM 1308 C ASN A 869 3.467 6.864 13.771 1.00 0.00 C ATOM 1309 O ASN A 869 2.579 6.865 12.918 1.00 0.00 O ATOM 1310 CB ASN A 869 2.492 5.158 15.319 1.00 0.00 C ATOM 1311 CG ASN A 869 3.493 4.028 15.177 1.00 0.00 C ATOM 1312 OD1 ASN A 869 4.257 3.979 14.213 1.00 0.00 O ATOM 1313 ND2 ASN A 869 3.491 3.112 16.138 1.00 0.00 N ATOM 0 H ASN A 869 1.795 8.133 15.132 1.00 0.00 H new ATOM 0 HA ASN A 869 4.085 6.523 15.789 1.00 0.00 H new ATOM 0 HB2 ASN A 869 1.979 5.067 16.276 1.00 0.00 H new ATOM 0 HB3 ASN A 869 1.734 5.068 14.541 1.00 0.00 H new ATOM 0 HD21 ASN A 869 4.141 2.327 16.096 1.00 0.00 H new ATOM 0 HD22 ASN A 869 2.840 3.193 16.919 1.00 0.00 H new ATOM 1320 N ILE A 870 4.737 7.142 13.495 1.00 0.00 N ATOM 1321 CA ILE A 870 5.170 7.470 12.143 1.00 0.00 C ATOM 1322 C ILE A 870 5.180 6.232 11.253 1.00 0.00 C ATOM 1323 O ILE A 870 6.035 5.358 11.398 1.00 0.00 O ATOM 1324 CB ILE A 870 6.574 8.103 12.139 1.00 0.00 C ATOM 1325 CG1 ILE A 870 6.492 9.581 12.523 1.00 0.00 C ATOM 1326 CG2 ILE A 870 7.225 7.939 10.774 1.00 0.00 C ATOM 1327 CD1 ILE A 870 6.216 10.496 11.349 1.00 0.00 C ATOM 0 H ILE A 870 5.484 7.146 14.190 1.00 0.00 H new ATOM 0 HA ILE A 870 4.454 8.192 11.749 1.00 0.00 H new ATOM 0 HB ILE A 870 7.190 7.590 12.877 1.00 0.00 H new ATOM 0 HG12 ILE A 870 5.707 9.712 13.268 1.00 0.00 H new ATOM 0 HG13 ILE A 870 7.429 9.879 12.993 1.00 0.00 H new ATOM 0 HG21 ILE A 870 8.217 8.391 10.787 1.00 0.00 H new ATOM 0 HG22 ILE A 870 7.313 6.879 10.538 1.00 0.00 H new ATOM 0 HG23 ILE A 870 6.612 8.429 10.017 1.00 0.00 H new ATOM 0 HD11 ILE A 870 6.171 11.529 11.695 1.00 0.00 H new ATOM 0 HD12 ILE A 870 7.014 10.394 10.613 1.00 0.00 H new ATOM 0 HD13 ILE A 870 5.264 10.225 10.892 1.00 0.00 H new ATOM 1339 N ILE A 871 4.225 6.164 10.332 1.00 0.00 N ATOM 1340 CA ILE A 871 4.126 5.034 9.416 1.00 0.00 C ATOM 1341 C ILE A 871 4.879 5.310 8.119 1.00 0.00 C ATOM 1342 O ILE A 871 5.013 6.459 7.698 1.00 0.00 O ATOM 1343 CB ILE A 871 2.658 4.705 9.085 1.00 0.00 C ATOM 1344 CG1 ILE A 871 2.088 5.740 8.113 1.00 0.00 C ATOM 1345 CG2 ILE A 871 1.827 4.651 10.358 1.00 0.00 C ATOM 1346 CD1 ILE A 871 2.537 5.539 6.683 1.00 0.00 C ATOM 0 H ILE A 871 3.509 6.878 10.200 1.00 0.00 H new ATOM 0 HA ILE A 871 4.577 4.179 9.920 1.00 0.00 H new ATOM 0 HB ILE A 871 2.619 3.726 8.608 1.00 0.00 H new ATOM 0 HG12 ILE A 871 0.999 5.702 8.152 1.00 0.00 H new ATOM 0 HG13 ILE A 871 2.384 6.736 8.441 1.00 0.00 H new ATOM 0 HG21 ILE A 871 0.792 4.418 10.107 1.00 0.00 H new ATOM 0 HG22 ILE A 871 2.223 3.880 11.019 1.00 0.00 H new ATOM 0 HG23 ILE A 871 1.869 5.617 10.861 1.00 0.00 H new ATOM 0 HD11 ILE A 871 2.094 6.309 6.051 1.00 0.00 H new ATOM 0 HD12 ILE A 871 3.624 5.607 6.630 1.00 0.00 H new ATOM 0 HD13 ILE A 871 2.217 4.556 6.336 1.00 0.00 H new ATOM 1358 N LYS A 872 5.369 4.247 7.489 1.00 0.00 N ATOM 1359 CA LYS A 872 6.106 4.372 6.237 1.00 0.00 C ATOM 1360 C LYS A 872 5.344 3.718 5.089 1.00 0.00 C ATOM 1361 O LYS A 872 4.620 2.742 5.287 1.00 0.00 O ATOM 1362 CB LYS A 872 7.491 3.736 6.372 1.00 0.00 C ATOM 1363 CG LYS A 872 8.535 4.351 5.456 1.00 0.00 C ATOM 1364 CD LYS A 872 9.786 3.493 5.380 1.00 0.00 C ATOM 1365 CE LYS A 872 9.535 2.210 4.602 1.00 0.00 C ATOM 1366 NZ LYS A 872 10.806 1.525 4.236 1.00 0.00 N ATOM 0 H LYS A 872 5.269 3.289 7.825 1.00 0.00 H new ATOM 0 HA LYS A 872 6.220 5.433 6.016 1.00 0.00 H new ATOM 0 HB2 LYS A 872 7.826 3.830 7.405 1.00 0.00 H new ATOM 0 HB3 LYS A 872 7.414 2.670 6.158 1.00 0.00 H new ATOM 0 HG2 LYS A 872 8.116 4.474 4.457 1.00 0.00 H new ATOM 0 HG3 LYS A 872 8.796 5.346 5.817 1.00 0.00 H new ATOM 0 HD2 LYS A 872 10.588 4.058 4.904 1.00 0.00 H new ATOM 0 HD3 LYS A 872 10.123 3.249 6.387 1.00 0.00 H new ATOM 0 HE2 LYS A 872 8.919 1.538 5.199 1.00 0.00 H new ATOM 0 HE3 LYS A 872 8.972 2.438 3.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 872 10.592 0.655 3.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 872 11.383 2.157 3.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 872 11.332 1.284 5.100 1.00 0.00 H new ATOM 1380 N VAL A 873 5.513 4.261 3.887 1.00 0.00 N ATOM 1381 CA VAL A 873 4.843 3.728 2.707 1.00 0.00 C ATOM 1382 C VAL A 873 5.854 3.269 1.662 1.00 0.00 C ATOM 1383 O VAL A 873 7.003 3.710 1.660 1.00 0.00 O ATOM 1384 CB VAL A 873 3.906 4.774 2.074 1.00 0.00 C ATOM 1385 CG1 VAL A 873 3.301 4.238 0.785 1.00 0.00 C ATOM 1386 CG2 VAL A 873 2.817 5.176 3.057 1.00 0.00 C ATOM 0 H VAL A 873 6.108 5.069 3.705 1.00 0.00 H new ATOM 0 HA VAL A 873 4.252 2.874 3.037 1.00 0.00 H new ATOM 0 HB VAL A 873 4.491 5.661 1.831 1.00 0.00 H new ATOM 0 HG11 VAL A 873 2.642 4.990 0.352 1.00 0.00 H new ATOM 0 HG12 VAL A 873 4.098 4.004 0.079 1.00 0.00 H new ATOM 0 HG13 VAL A 873 2.729 3.335 0.999 1.00 0.00 H new ATOM 0 HG21 VAL A 873 2.164 5.916 2.594 1.00 0.00 H new ATOM 0 HG22 VAL A 873 2.233 4.298 3.332 1.00 0.00 H new ATOM 0 HG23 VAL A 873 3.273 5.603 3.950 1.00 0.00 H new ATOM 1396 N ALA A 874 5.417 2.382 0.775 1.00 0.00 N ATOM 1397 CA ALA A 874 6.283 1.864 -0.278 1.00 0.00 C ATOM 1398 C ALA A 874 5.465 1.285 -1.427 1.00 0.00 C ATOM 1399 O ALA A 874 4.388 0.726 -1.214 1.00 0.00 O ATOM 1400 CB ALA A 874 7.226 0.811 0.285 1.00 0.00 C ATOM 0 H ALA A 874 4.469 2.007 0.764 1.00 0.00 H new ATOM 0 HA ALA A 874 6.873 2.693 -0.669 1.00 0.00 H new ATOM 0 HB1 ALA A 874 7.867 0.433 -0.512 1.00 0.00 H new ATOM 0 HB2 ALA A 874 7.843 1.255 1.066 1.00 0.00 H new ATOM 0 HB3 ALA A 874 6.645 -0.011 0.704 1.00 0.00 H new ATOM 1406 N ILE A 875 5.981 1.424 -2.643 1.00 0.00 N ATOM 1407 CA ILE A 875 5.297 0.914 -3.825 1.00 0.00 C ATOM 1408 C ILE A 875 5.087 -0.594 -3.731 1.00 0.00 C ATOM 1409 O ILE A 875 6.031 -1.350 -3.504 1.00 0.00 O ATOM 1410 CB ILE A 875 6.083 1.231 -5.111 1.00 0.00 C ATOM 1411 CG1 ILE A 875 6.368 2.731 -5.203 1.00 0.00 C ATOM 1412 CG2 ILE A 875 5.313 0.756 -6.334 1.00 0.00 C ATOM 1413 CD1 ILE A 875 5.133 3.566 -5.460 1.00 0.00 C ATOM 0 H ILE A 875 6.870 1.885 -2.836 1.00 0.00 H new ATOM 0 HA ILE A 875 4.328 1.412 -3.868 1.00 0.00 H new ATOM 0 HB ILE A 875 7.035 0.701 -5.078 1.00 0.00 H new ATOM 0 HG12 ILE A 875 6.834 3.062 -4.275 1.00 0.00 H new ATOM 0 HG13 ILE A 875 7.089 2.907 -6.002 1.00 0.00 H new ATOM 0 HG21 ILE A 875 5.882 0.987 -7.235 1.00 0.00 H new ATOM 0 HG22 ILE A 875 5.157 -0.321 -6.270 1.00 0.00 H new ATOM 0 HG23 ILE A 875 4.348 1.261 -6.375 1.00 0.00 H new ATOM 0 HD11 ILE A 875 5.410 4.619 -5.513 1.00 0.00 H new ATOM 0 HD12 ILE A 875 4.678 3.262 -6.403 1.00 0.00 H new ATOM 0 HD13 ILE A 875 4.419 3.419 -4.649 1.00 0.00 H new ATOM 1425 N SER A 876 3.841 -1.024 -3.909 1.00 0.00 N ATOM 1426 CA SER A 876 3.506 -2.441 -3.842 1.00 0.00 C ATOM 1427 C SER A 876 4.334 -3.244 -4.840 1.00 0.00 C ATOM 1428 O SER A 876 4.082 -3.207 -6.044 1.00 0.00 O ATOM 1429 CB SER A 876 2.015 -2.648 -4.117 1.00 0.00 C ATOM 1430 OG SER A 876 1.733 -4.006 -4.407 1.00 0.00 O ATOM 0 H SER A 876 3.048 -0.411 -4.100 1.00 0.00 H new ATOM 0 HA SER A 876 3.736 -2.795 -2.837 1.00 0.00 H new ATOM 0 HB2 SER A 876 1.435 -2.330 -3.251 1.00 0.00 H new ATOM 0 HB3 SER A 876 1.706 -2.022 -4.955 1.00 0.00 H new ATOM 0 HG SER A 876 0.892 -4.265 -3.976 1.00 0.00 H new