USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=19 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= -3.8! C(o=-3.8!,f=-9.4!) USER MOD Set 2.1: A 821 CYS SG : rot 73:sc= 0.696 USER MOD Set 2.2: A 861 MET CE :methyl -161:sc= -0.0976 (180deg=-0.284) USER MOD Single : A 801 HIS : no HE2:sc= -1.59 K(o=-1.6,f=-5.5!) 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= -0.0122 USER MOD Single : A 813 THR OG1 : rot 180:sc= -0.0927 USER MOD Single : A 814 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 822 LYS NZ :NH3+ 156:sc= -0.0656 (180deg=-0.39) USER MOD Single : A 824 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.05) USER MOD Single : A 828 LYS NZ :NH3+ 164:sc= 0.0585 (180deg=0.0201) USER MOD Single : A 834 THR OG1 : rot 180:sc= 0 USER MOD Single : A 835 ASN : amide:sc= -3.29! C(o=-3.3!,f=-12!) 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 -126:sc= 0.926 USER MOD Single : A 850 ASN : amide:sc= 0.279 K(o=0.28,f=-7.2!) 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 K(o=0,f=-1.5!) USER MOD Single : A 859 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 860 LYS NZ :NH3+ -122:sc= -0.386 (180deg=-1.69) USER MOD Single : A 864 MET CE :methyl -128:sc= -3.24! (180deg=-8.3!) 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= -0.0716 K(o=-0.072,f=-1.7!) USER MOD Single : A 872 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 876 SER OG : rot 160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 239 N HIS A 801 0.142 -0.046 -8.975 1.00 0.00 N ATOM 240 CA HIS A 801 -1.066 0.565 -8.432 1.00 0.00 C ATOM 241 C HIS A 801 -1.203 0.266 -6.942 1.00 0.00 C ATOM 242 O HIS A 801 -1.464 1.162 -6.139 1.00 0.00 O ATOM 243 CB HIS A 801 -2.300 0.060 -9.180 1.00 0.00 C ATOM 244 CG HIS A 801 -2.434 -1.431 -9.176 1.00 0.00 C ATOM 245 ND1 HIS A 801 -1.370 -2.283 -9.382 1.00 0.00 N ATOM 246 CD2 HIS A 801 -3.516 -2.222 -8.989 1.00 0.00 C ATOM 247 CE1 HIS A 801 -1.792 -3.534 -9.323 1.00 0.00 C ATOM 248 NE2 HIS A 801 -3.091 -3.524 -9.084 1.00 0.00 N ATOM 0 HA HIS A 801 -0.988 1.644 -8.563 1.00 0.00 H new ATOM 0 HB2 HIS A 801 -3.191 0.498 -8.731 1.00 0.00 H new ATOM 0 HB3 HIS A 801 -2.258 0.410 -10.211 1.00 0.00 H new ATOM 0 HD1 HIS A 801 -0.407 -1.993 -9.553 1.00 0.00 H new ATOM 0 HD2 HIS A 801 -4.526 -1.891 -8.800 1.00 0.00 H new ATOM 0 HE1 HIS A 801 -1.179 -4.414 -9.449 1.00 0.00 H new ATOM 256 N LYS A 802 -1.024 -1.000 -6.579 1.00 0.00 N ATOM 257 CA LYS A 802 -1.127 -1.418 -5.186 1.00 0.00 C ATOM 258 C LYS A 802 -0.074 -0.722 -4.329 1.00 0.00 C ATOM 259 O LYS A 802 1.039 -0.460 -4.787 1.00 0.00 O ATOM 260 CB LYS A 802 -0.968 -2.936 -5.075 1.00 0.00 C ATOM 261 CG LYS A 802 -2.103 -3.715 -5.718 1.00 0.00 C ATOM 262 CD LYS A 802 -1.913 -5.214 -5.554 1.00 0.00 C ATOM 263 CE LYS A 802 -3.204 -5.972 -5.824 1.00 0.00 C ATOM 264 NZ LYS A 802 -3.070 -7.422 -5.514 1.00 0.00 N ATOM 0 H LYS A 802 -0.807 -1.754 -7.231 1.00 0.00 H new ATOM 0 HA LYS A 802 -2.113 -1.134 -4.820 1.00 0.00 H new ATOM 0 HB2 LYS A 802 -0.027 -3.229 -5.541 1.00 0.00 H new ATOM 0 HB3 LYS A 802 -0.901 -3.210 -4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 802 -3.051 -3.416 -5.270 1.00 0.00 H new ATOM 0 HG3 LYS A 802 -2.160 -3.468 -6.778 1.00 0.00 H new ATOM 0 HD2 LYS A 802 -1.137 -5.560 -6.236 1.00 0.00 H new ATOM 0 HD3 LYS A 802 -1.568 -5.430 -4.543 1.00 0.00 H new ATOM 0 HE2 LYS A 802 -4.008 -5.545 -5.225 1.00 0.00 H new ATOM 0 HE3 LYS A 802 -3.486 -5.849 -6.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 802 -3.970 -7.904 -5.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 802 -2.320 -7.835 -6.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 802 -2.826 -7.541 -4.510 1.00 0.00 H new ATOM 278 N LEU A 803 -0.431 -0.427 -3.085 1.00 0.00 N ATOM 279 CA LEU A 803 0.484 0.238 -2.163 1.00 0.00 C ATOM 280 C LEU A 803 0.792 -0.654 -0.965 1.00 0.00 C ATOM 281 O LEU A 803 -0.024 -1.487 -0.571 1.00 0.00 O ATOM 282 CB LEU A 803 -0.113 1.563 -1.687 1.00 0.00 C ATOM 283 CG LEU A 803 -0.564 2.529 -2.783 1.00 0.00 C ATOM 284 CD1 LEU A 803 -1.552 3.543 -2.229 1.00 0.00 C ATOM 285 CD2 LEU A 803 0.635 3.233 -3.400 1.00 0.00 C ATOM 0 H LEU A 803 -1.348 -0.637 -2.690 1.00 0.00 H new ATOM 0 HA LEU A 803 1.415 0.437 -2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 803 -0.969 1.344 -1.049 1.00 0.00 H new ATOM 0 HB3 LEU A 803 0.626 2.069 -1.066 1.00 0.00 H new ATOM 0 HG LEU A 803 -1.064 1.954 -3.563 1.00 0.00 H new ATOM 0 HD11 LEU A 803 -1.861 4.222 -3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 803 -2.425 3.023 -1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 803 -1.079 4.113 -1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 803 0.295 3.916 -4.178 1.00 0.00 H new ATOM 0 HD22 LEU A 803 1.164 3.794 -2.629 1.00 0.00 H new ATOM 0 HD23 LEU A 803 1.307 2.493 -3.835 1.00 0.00 H new ATOM 297 N PHE A 804 1.975 -0.472 -0.387 1.00 0.00 N ATOM 298 CA PHE A 804 2.391 -1.259 0.768 1.00 0.00 C ATOM 299 C PHE A 804 2.725 -0.354 1.951 1.00 0.00 C ATOM 300 O PHE A 804 3.722 0.369 1.931 1.00 0.00 O ATOM 301 CB PHE A 804 3.604 -2.122 0.414 1.00 0.00 C ATOM 302 CG PHE A 804 4.289 -2.714 1.612 1.00 0.00 C ATOM 303 CD1 PHE A 804 3.862 -3.920 2.144 1.00 0.00 C ATOM 304 CD2 PHE A 804 5.359 -2.065 2.206 1.00 0.00 C ATOM 305 CE1 PHE A 804 4.490 -4.469 3.246 1.00 0.00 C ATOM 306 CE2 PHE A 804 5.991 -2.609 3.308 1.00 0.00 C ATOM 307 CZ PHE A 804 5.555 -3.812 3.830 1.00 0.00 C ATOM 0 H PHE A 804 2.662 0.214 -0.700 1.00 0.00 H new ATOM 0 HA PHE A 804 1.562 -1.908 1.051 1.00 0.00 H new ATOM 0 HB2 PHE A 804 3.286 -2.928 -0.248 1.00 0.00 H new ATOM 0 HB3 PHE A 804 4.320 -1.517 -0.142 1.00 0.00 H new ATOM 0 HD1 PHE A 804 3.028 -4.437 1.692 1.00 0.00 H new ATOM 0 HD2 PHE A 804 5.703 -1.124 1.804 1.00 0.00 H new ATOM 0 HE1 PHE A 804 4.148 -5.411 3.650 1.00 0.00 H new ATOM 0 HE2 PHE A 804 6.825 -2.094 3.761 1.00 0.00 H new ATOM 0 HZ PHE A 804 6.046 -4.237 4.693 1.00 0.00 H new ATOM 317 N ILE A 805 1.884 -0.400 2.979 1.00 0.00 N ATOM 318 CA ILE A 805 2.090 0.414 4.170 1.00 0.00 C ATOM 319 C ILE A 805 2.510 -0.445 5.357 1.00 0.00 C ATOM 320 O ILE A 805 1.950 -1.516 5.591 1.00 0.00 O ATOM 321 CB ILE A 805 0.817 1.198 4.543 1.00 0.00 C ATOM 322 CG1 ILE A 805 0.134 1.734 3.283 1.00 0.00 C ATOM 323 CG2 ILE A 805 1.156 2.336 5.493 1.00 0.00 C ATOM 324 CD1 ILE A 805 -1.023 2.664 3.572 1.00 0.00 C ATOM 0 H ILE A 805 1.054 -0.992 3.011 1.00 0.00 H new ATOM 0 HA ILE A 805 2.887 1.120 3.936 1.00 0.00 H new ATOM 0 HB ILE A 805 0.127 0.522 5.048 1.00 0.00 H new ATOM 0 HG12 ILE A 805 0.871 2.261 2.677 1.00 0.00 H new ATOM 0 HG13 ILE A 805 -0.225 0.894 2.689 1.00 0.00 H new ATOM 0 HG21 ILE A 805 0.247 2.881 5.747 1.00 0.00 H new ATOM 0 HG22 ILE A 805 1.603 1.931 6.401 1.00 0.00 H new ATOM 0 HG23 ILE A 805 1.862 3.013 5.012 1.00 0.00 H new ATOM 0 HD11 ILE A 805 -1.459 3.005 2.633 1.00 0.00 H new ATOM 0 HD12 ILE A 805 -1.779 2.135 4.152 1.00 0.00 H new ATOM 0 HD13 ILE A 805 -0.666 3.523 4.139 1.00 0.00 H new ATOM 336 N SER A 806 3.499 0.033 6.106 1.00 0.00 N ATOM 337 CA SER A 806 3.997 -0.693 7.269 1.00 0.00 C ATOM 338 C SER A 806 4.303 0.265 8.416 1.00 0.00 C ATOM 339 O SER A 806 4.560 1.448 8.200 1.00 0.00 O ATOM 340 CB SER A 806 5.252 -1.487 6.903 1.00 0.00 C ATOM 341 OG SER A 806 6.274 -0.631 6.420 1.00 0.00 O ATOM 0 H SER A 806 3.971 0.920 5.928 1.00 0.00 H new ATOM 0 HA SER A 806 3.221 -1.386 7.594 1.00 0.00 H new ATOM 0 HB2 SER A 806 5.611 -2.030 7.778 1.00 0.00 H new ATOM 0 HB3 SER A 806 5.007 -2.231 6.145 1.00 0.00 H new ATOM 0 HG SER A 806 7.066 -1.162 6.194 1.00 0.00 H new ATOM 347 N GLY A 807 4.275 -0.257 9.639 1.00 0.00 N ATOM 348 CA GLY A 807 4.551 0.564 10.803 1.00 0.00 C ATOM 349 C GLY A 807 3.288 1.097 11.449 1.00 0.00 C ATOM 350 O GLY A 807 3.343 1.755 12.489 1.00 0.00 O ATOM 0 H GLY A 807 4.066 -1.234 9.844 1.00 0.00 H new ATOM 0 HA2 GLY A 807 5.109 -0.022 11.533 1.00 0.00 H new ATOM 0 HA3 GLY A 807 5.187 1.400 10.512 1.00 0.00 H new ATOM 354 N LEU A 808 2.145 0.814 10.833 1.00 0.00 N ATOM 355 CA LEU A 808 0.861 1.272 11.354 1.00 0.00 C ATOM 356 C LEU A 808 0.597 0.688 12.738 1.00 0.00 C ATOM 357 O LEU A 808 0.938 -0.458 13.032 1.00 0.00 O ATOM 358 CB LEU A 808 -0.267 0.881 10.399 1.00 0.00 C ATOM 359 CG LEU A 808 -0.282 1.598 9.048 1.00 0.00 C ATOM 360 CD1 LEU A 808 -1.098 0.810 8.035 1.00 0.00 C ATOM 361 CD2 LEU A 808 -0.834 3.008 9.199 1.00 0.00 C ATOM 0 H LEU A 808 2.081 0.270 9.973 1.00 0.00 H new ATOM 0 HA LEU A 808 0.896 2.358 11.439 1.00 0.00 H new ATOM 0 HB2 LEU A 808 -0.207 -0.192 10.218 1.00 0.00 H new ATOM 0 HB3 LEU A 808 -1.219 1.067 10.897 1.00 0.00 H new ATOM 0 HG LEU A 808 0.743 1.667 8.683 1.00 0.00 H new ATOM 0 HD11 LEU A 808 -1.098 1.335 7.080 1.00 0.00 H new ATOM 0 HD12 LEU A 808 -0.660 -0.179 7.905 1.00 0.00 H new ATOM 0 HD13 LEU A 808 -2.123 0.709 8.393 1.00 0.00 H new ATOM 0 HD21 LEU A 808 -0.837 3.503 8.228 1.00 0.00 H new ATOM 0 HD22 LEU A 808 -1.852 2.961 9.586 1.00 0.00 H new ATOM 0 HD23 LEU A 808 -0.209 3.571 9.892 1.00 0.00 H new ATOM 373 N PRO A 809 -0.029 1.493 13.610 1.00 0.00 N ATOM 374 CA PRO A 809 -0.357 1.077 14.977 1.00 0.00 C ATOM 375 C PRO A 809 -1.455 0.020 15.014 1.00 0.00 C ATOM 376 O PRO A 809 -2.158 -0.194 14.026 1.00 0.00 O ATOM 377 CB PRO A 809 -0.838 2.372 15.636 1.00 0.00 C ATOM 378 CG PRO A 809 -1.334 3.209 14.508 1.00 0.00 C ATOM 379 CD PRO A 809 -0.466 2.871 13.328 1.00 0.00 C ATOM 0 HA PRO A 809 0.495 0.618 15.479 1.00 0.00 H new ATOM 0 HB2 PRO A 809 -1.628 2.177 16.362 1.00 0.00 H new ATOM 0 HB3 PRO A 809 -0.028 2.868 16.171 1.00 0.00 H new ATOM 0 HG2 PRO A 809 -2.382 2.996 14.295 1.00 0.00 H new ATOM 0 HG3 PRO A 809 -1.267 4.270 14.750 1.00 0.00 H new ATOM 0 HD2 PRO A 809 -1.019 2.933 12.391 1.00 0.00 H new ATOM 0 HD3 PRO A 809 0.381 3.552 13.244 1.00 0.00 H new ATOM 387 N PHE A 810 -1.599 -0.638 16.159 1.00 0.00 N ATOM 388 CA PHE A 810 -2.612 -1.673 16.324 1.00 0.00 C ATOM 389 C PHE A 810 -3.998 -1.057 16.489 1.00 0.00 C ATOM 390 O PHE A 810 -5.014 -1.724 16.295 1.00 0.00 O ATOM 391 CB PHE A 810 -2.284 -2.549 17.535 1.00 0.00 C ATOM 392 CG PHE A 810 -0.812 -2.669 17.808 1.00 0.00 C ATOM 393 CD1 PHE A 810 0.040 -3.205 16.856 1.00 0.00 C ATOM 394 CD2 PHE A 810 -0.281 -2.246 19.016 1.00 0.00 C ATOM 395 CE1 PHE A 810 1.396 -3.316 17.103 1.00 0.00 C ATOM 396 CE2 PHE A 810 1.073 -2.354 19.268 1.00 0.00 C ATOM 397 CZ PHE A 810 1.913 -2.891 18.311 1.00 0.00 C ATOM 0 H PHE A 810 -1.027 -0.473 16.987 1.00 0.00 H new ATOM 0 HA PHE A 810 -2.613 -2.291 15.426 1.00 0.00 H new ATOM 0 HB2 PHE A 810 -2.776 -2.136 18.416 1.00 0.00 H new ATOM 0 HB3 PHE A 810 -2.698 -3.545 17.376 1.00 0.00 H new ATOM 0 HD1 PHE A 810 -0.360 -3.540 15.910 1.00 0.00 H new ATOM 0 HD2 PHE A 810 -0.933 -1.827 19.769 1.00 0.00 H new ATOM 0 HE1 PHE A 810 2.050 -3.735 16.352 1.00 0.00 H new ATOM 0 HE2 PHE A 810 1.475 -2.019 20.213 1.00 0.00 H new ATOM 0 HZ PHE A 810 2.971 -2.978 18.507 1.00 0.00 H new ATOM 407 N SER A 811 -4.031 0.222 16.849 1.00 0.00 N ATOM 408 CA SER A 811 -5.291 0.929 17.045 1.00 0.00 C ATOM 409 C SER A 811 -5.970 1.210 15.707 1.00 0.00 C ATOM 410 O SER A 811 -7.187 1.076 15.576 1.00 0.00 O ATOM 411 CB SER A 811 -5.054 2.242 17.794 1.00 0.00 C ATOM 412 OG SER A 811 -4.682 2.001 19.140 1.00 0.00 O ATOM 0 H SER A 811 -3.199 0.790 17.011 1.00 0.00 H new ATOM 0 HA SER A 811 -5.946 0.293 17.640 1.00 0.00 H new ATOM 0 HB2 SER A 811 -4.272 2.814 17.294 1.00 0.00 H new ATOM 0 HB3 SER A 811 -5.959 2.849 17.767 1.00 0.00 H new ATOM 0 HG SER A 811 -4.535 2.855 19.597 1.00 0.00 H new ATOM 418 N CYS A 812 -5.174 1.599 14.718 1.00 0.00 N ATOM 419 CA CYS A 812 -5.697 1.900 13.389 1.00 0.00 C ATOM 420 C CYS A 812 -6.569 0.759 12.877 1.00 0.00 C ATOM 421 O CYS A 812 -6.404 -0.393 13.279 1.00 0.00 O ATOM 422 CB CYS A 812 -4.548 2.158 12.413 1.00 0.00 C ATOM 423 SG CYS A 812 -5.039 3.035 10.910 1.00 0.00 S ATOM 0 H CYS A 812 -4.165 1.714 14.810 1.00 0.00 H new ATOM 0 HA CYS A 812 -6.311 2.798 13.461 1.00 0.00 H new ATOM 0 HB2 CYS A 812 -3.776 2.735 12.922 1.00 0.00 H new ATOM 0 HB3 CYS A 812 -4.101 1.204 12.134 1.00 0.00 H new ATOM 0 HG CYS A 812 -3.999 3.208 10.149 1.00 0.00 H new ATOM 429 N THR A 813 -7.502 1.087 11.988 1.00 0.00 N ATOM 430 CA THR A 813 -8.403 0.091 11.423 1.00 0.00 C ATOM 431 C THR A 813 -8.673 0.367 9.948 1.00 0.00 C ATOM 432 O THR A 813 -8.511 1.493 9.477 1.00 0.00 O ATOM 433 CB THR A 813 -9.744 0.053 12.180 1.00 0.00 C ATOM 434 OG1 THR A 813 -10.604 -0.936 11.603 1.00 0.00 O ATOM 435 CG2 THR A 813 -10.427 1.412 12.140 1.00 0.00 C ATOM 0 H THR A 813 -7.653 2.035 11.644 1.00 0.00 H new ATOM 0 HA THR A 813 -7.909 -0.875 11.524 1.00 0.00 H new ATOM 0 HB THR A 813 -9.542 -0.204 13.220 1.00 0.00 H new ATOM 0 HG1 THR A 813 -11.454 -0.955 12.091 1.00 0.00 H new ATOM 0 HG21 THR A 813 -11.372 1.360 12.681 1.00 0.00 H new ATOM 0 HG22 THR A 813 -9.782 2.157 12.606 1.00 0.00 H new ATOM 0 HG23 THR A 813 -10.617 1.693 11.104 1.00 0.00 H new ATOM 443 N LYS A 814 -9.085 -0.667 9.223 1.00 0.00 N ATOM 444 CA LYS A 814 -9.379 -0.537 7.801 1.00 0.00 C ATOM 445 C LYS A 814 -10.079 0.787 7.510 1.00 0.00 C ATOM 446 O LYS A 814 -9.536 1.647 6.818 1.00 0.00 O ATOM 447 CB LYS A 814 -10.253 -1.702 7.331 1.00 0.00 C ATOM 448 CG LYS A 814 -10.142 -1.983 5.842 1.00 0.00 C ATOM 449 CD LYS A 814 -10.947 -3.209 5.445 1.00 0.00 C ATOM 450 CE LYS A 814 -10.169 -4.492 5.693 1.00 0.00 C ATOM 451 NZ LYS A 814 -10.651 -5.608 4.834 1.00 0.00 N ATOM 0 H LYS A 814 -9.223 -1.606 9.597 1.00 0.00 H new ATOM 0 HA LYS A 814 -8.435 -0.557 7.257 1.00 0.00 H new ATOM 0 HB2 LYS A 814 -9.975 -2.600 7.883 1.00 0.00 H new ATOM 0 HB3 LYS A 814 -11.293 -1.487 7.575 1.00 0.00 H new ATOM 0 HG2 LYS A 814 -10.494 -1.118 5.280 1.00 0.00 H new ATOM 0 HG3 LYS A 814 -9.096 -2.132 5.576 1.00 0.00 H new ATOM 0 HD2 LYS A 814 -11.879 -3.232 6.010 1.00 0.00 H new ATOM 0 HD3 LYS A 814 -11.216 -3.143 4.391 1.00 0.00 H new ATOM 0 HE2 LYS A 814 -9.110 -4.317 5.501 1.00 0.00 H new ATOM 0 HE3 LYS A 814 -10.261 -4.775 6.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 814 -10.095 -6.464 5.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 814 -11.655 -5.792 5.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 814 -10.540 -5.348 3.833 1.00 0.00 H new ATOM 465 N GLU A 815 -11.287 0.943 8.043 1.00 0.00 N ATOM 466 CA GLU A 815 -12.060 2.162 7.840 1.00 0.00 C ATOM 467 C GLU A 815 -11.148 3.385 7.809 1.00 0.00 C ATOM 468 O GLU A 815 -11.026 4.055 6.784 1.00 0.00 O ATOM 469 CB GLU A 815 -13.105 2.320 8.946 1.00 0.00 C ATOM 470 CG GLU A 815 -14.260 1.338 8.837 1.00 0.00 C ATOM 471 CD GLU A 815 -15.258 1.484 9.968 1.00 0.00 C ATOM 472 OE1 GLU A 815 -15.951 2.522 10.020 1.00 0.00 O ATOM 473 OE2 GLU A 815 -15.347 0.559 10.803 1.00 0.00 O ATOM 0 H GLU A 815 -11.751 0.240 8.619 1.00 0.00 H new ATOM 0 HA GLU A 815 -12.568 2.084 6.879 1.00 0.00 H new ATOM 0 HB2 GLU A 815 -12.620 2.191 9.914 1.00 0.00 H new ATOM 0 HB3 GLU A 815 -13.499 3.336 8.919 1.00 0.00 H new ATOM 0 HG2 GLU A 815 -14.770 1.487 7.886 1.00 0.00 H new ATOM 0 HG3 GLU A 815 -13.868 0.321 8.832 1.00 0.00 H new ATOM 480 N GLU A 816 -10.510 3.669 8.940 1.00 0.00 N ATOM 481 CA GLU A 816 -9.610 4.812 9.043 1.00 0.00 C ATOM 482 C GLU A 816 -8.718 4.915 7.809 1.00 0.00 C ATOM 483 O GLU A 816 -8.850 5.843 7.010 1.00 0.00 O ATOM 484 CB GLU A 816 -8.747 4.699 10.301 1.00 0.00 C ATOM 485 CG GLU A 816 -9.540 4.793 11.594 1.00 0.00 C ATOM 486 CD GLU A 816 -9.856 6.225 11.981 1.00 0.00 C ATOM 487 OE1 GLU A 816 -8.951 6.916 12.493 1.00 0.00 O ATOM 488 OE2 GLU A 816 -11.010 6.655 11.771 1.00 0.00 O ATOM 0 H GLU A 816 -10.600 3.124 9.797 1.00 0.00 H new ATOM 0 HA GLU A 816 -10.217 5.715 9.108 1.00 0.00 H new ATOM 0 HB2 GLU A 816 -8.213 3.749 10.281 1.00 0.00 H new ATOM 0 HB3 GLU A 816 -7.995 5.488 10.288 1.00 0.00 H new ATOM 0 HG2 GLU A 816 -10.471 4.236 11.487 1.00 0.00 H new ATOM 0 HG3 GLU A 816 -8.976 4.319 12.397 1.00 0.00 H new ATOM 495 N LEU A 817 -7.811 3.957 7.661 1.00 0.00 N ATOM 496 CA LEU A 817 -6.896 3.938 6.525 1.00 0.00 C ATOM 497 C LEU A 817 -7.624 4.298 5.233 1.00 0.00 C ATOM 498 O LEU A 817 -7.174 5.157 4.475 1.00 0.00 O ATOM 499 CB LEU A 817 -6.246 2.560 6.390 1.00 0.00 C ATOM 500 CG LEU A 817 -4.886 2.525 5.692 1.00 0.00 C ATOM 501 CD1 LEU A 817 -3.933 3.525 6.329 1.00 0.00 C ATOM 502 CD2 LEU A 817 -4.299 1.122 5.739 1.00 0.00 C ATOM 0 H LEU A 817 -7.689 3.183 8.313 1.00 0.00 H new ATOM 0 HA LEU A 817 -6.120 4.683 6.703 1.00 0.00 H new ATOM 0 HB2 LEU A 817 -6.131 2.135 7.387 1.00 0.00 H new ATOM 0 HB3 LEU A 817 -6.929 1.910 5.843 1.00 0.00 H new ATOM 0 HG LEU A 817 -5.028 2.804 4.648 1.00 0.00 H new ATOM 0 HD11 LEU A 817 -2.970 3.486 5.819 1.00 0.00 H new ATOM 0 HD12 LEU A 817 -4.348 4.529 6.243 1.00 0.00 H new ATOM 0 HD13 LEU A 817 -3.796 3.278 7.382 1.00 0.00 H new ATOM 0 HD21 LEU A 817 -3.331 1.116 5.238 1.00 0.00 H new ATOM 0 HD22 LEU A 817 -4.172 0.815 6.777 1.00 0.00 H new ATOM 0 HD23 LEU A 817 -4.973 0.429 5.236 1.00 0.00 H new ATOM 514 N GLU A 818 -8.751 3.636 4.992 1.00 0.00 N ATOM 515 CA GLU A 818 -9.542 3.888 3.793 1.00 0.00 C ATOM 516 C GLU A 818 -9.846 5.376 3.644 1.00 0.00 C ATOM 517 O GLU A 818 -9.494 5.994 2.639 1.00 0.00 O ATOM 518 CB GLU A 818 -10.847 3.092 3.839 1.00 0.00 C ATOM 519 CG GLU A 818 -11.692 3.234 2.584 1.00 0.00 C ATOM 520 CD GLU A 818 -12.668 4.392 2.666 1.00 0.00 C ATOM 521 OE1 GLU A 818 -13.117 4.710 3.787 1.00 0.00 O ATOM 522 OE2 GLU A 818 -12.983 4.978 1.610 1.00 0.00 O ATOM 0 H GLU A 818 -9.137 2.922 5.610 1.00 0.00 H new ATOM 0 HA GLU A 818 -8.959 3.566 2.930 1.00 0.00 H new ATOM 0 HB2 GLU A 818 -10.615 2.038 3.993 1.00 0.00 H new ATOM 0 HB3 GLU A 818 -11.432 3.418 4.699 1.00 0.00 H new ATOM 0 HG2 GLU A 818 -11.038 3.375 1.724 1.00 0.00 H new ATOM 0 HG3 GLU A 818 -12.244 2.309 2.416 1.00 0.00 H new ATOM 529 N GLU A 819 -10.502 5.944 4.651 1.00 0.00 N ATOM 530 CA GLU A 819 -10.854 7.358 4.631 1.00 0.00 C ATOM 531 C GLU A 819 -9.644 8.216 4.272 1.00 0.00 C ATOM 532 O GLU A 819 -9.739 9.129 3.451 1.00 0.00 O ATOM 533 CB GLU A 819 -11.412 7.787 5.990 1.00 0.00 C ATOM 534 CG GLU A 819 -12.865 7.396 6.203 1.00 0.00 C ATOM 535 CD GLU A 819 -13.830 8.344 5.517 1.00 0.00 C ATOM 536 OE1 GLU A 819 -13.932 9.508 5.959 1.00 0.00 O ATOM 537 OE2 GLU A 819 -14.483 7.922 4.540 1.00 0.00 O ATOM 0 H GLU A 819 -10.800 5.447 5.490 1.00 0.00 H new ATOM 0 HA GLU A 819 -11.620 7.504 3.869 1.00 0.00 H new ATOM 0 HB2 GLU A 819 -10.806 7.342 6.779 1.00 0.00 H new ATOM 0 HB3 GLU A 819 -11.318 8.869 6.087 1.00 0.00 H new ATOM 0 HG2 GLU A 819 -13.025 6.386 5.827 1.00 0.00 H new ATOM 0 HG3 GLU A 819 -13.079 7.376 7.272 1.00 0.00 H new ATOM 544 N ILE A 820 -8.509 7.915 4.894 1.00 0.00 N ATOM 545 CA ILE A 820 -7.280 8.658 4.640 1.00 0.00 C ATOM 546 C ILE A 820 -6.756 8.388 3.234 1.00 0.00 C ATOM 547 O ILE A 820 -6.053 9.216 2.653 1.00 0.00 O ATOM 548 CB ILE A 820 -6.185 8.300 5.662 1.00 0.00 C ATOM 549 CG1 ILE A 820 -6.705 8.491 7.088 1.00 0.00 C ATOM 550 CG2 ILE A 820 -4.944 9.147 5.427 1.00 0.00 C ATOM 551 CD1 ILE A 820 -5.902 7.745 8.130 1.00 0.00 C ATOM 0 H ILE A 820 -8.415 7.163 5.577 1.00 0.00 H new ATOM 0 HA ILE A 820 -7.524 9.716 4.737 1.00 0.00 H new ATOM 0 HB ILE A 820 -5.916 7.252 5.531 1.00 0.00 H new ATOM 0 HG12 ILE A 820 -6.699 9.554 7.329 1.00 0.00 H new ATOM 0 HG13 ILE A 820 -7.742 8.160 7.135 1.00 0.00 H new ATOM 0 HG21 ILE A 820 -4.179 8.882 6.157 1.00 0.00 H new ATOM 0 HG22 ILE A 820 -4.564 8.965 4.422 1.00 0.00 H new ATOM 0 HG23 ILE A 820 -5.198 10.202 5.534 1.00 0.00 H new ATOM 0 HD11 ILE A 820 -6.328 7.927 9.117 1.00 0.00 H new ATOM 0 HD12 ILE A 820 -5.929 6.677 7.914 1.00 0.00 H new ATOM 0 HD13 ILE A 820 -4.869 8.093 8.111 1.00 0.00 H new ATOM 563 N CYS A 821 -7.102 7.226 2.692 1.00 0.00 N ATOM 564 CA CYS A 821 -6.667 6.847 1.352 1.00 0.00 C ATOM 565 C CYS A 821 -7.495 7.562 0.289 1.00 0.00 C ATOM 566 O CYS A 821 -6.954 8.257 -0.571 1.00 0.00 O ATOM 567 CB CYS A 821 -6.775 5.333 1.168 1.00 0.00 C ATOM 568 SG CYS A 821 -5.542 4.386 2.091 1.00 0.00 S ATOM 0 H CYS A 821 -7.682 6.530 3.160 1.00 0.00 H new ATOM 0 HA CYS A 821 -5.625 7.146 1.236 1.00 0.00 H new ATOM 0 HB2 CYS A 821 -7.770 5.011 1.476 1.00 0.00 H new ATOM 0 HB3 CYS A 821 -6.678 5.099 0.108 1.00 0.00 H new ATOM 0 HG CYS A 821 -5.833 4.414 3.358 1.00 0.00 H new ATOM 574 N LYS A 822 -8.810 7.384 0.353 1.00 0.00 N ATOM 575 CA LYS A 822 -9.715 8.011 -0.604 1.00 0.00 C ATOM 576 C LYS A 822 -9.520 9.524 -0.625 1.00 0.00 C ATOM 577 O LYS A 822 -9.969 10.203 -1.548 1.00 0.00 O ATOM 578 CB LYS A 822 -11.167 7.678 -0.257 1.00 0.00 C ATOM 579 CG LYS A 822 -11.568 8.091 1.148 1.00 0.00 C ATOM 580 CD LYS A 822 -13.058 8.372 1.244 1.00 0.00 C ATOM 581 CE LYS A 822 -13.364 9.395 2.327 1.00 0.00 C ATOM 582 NZ LYS A 822 -12.840 10.745 1.980 1.00 0.00 N ATOM 0 H LYS A 822 -9.273 6.810 1.058 1.00 0.00 H new ATOM 0 HA LYS A 822 -9.486 7.619 -1.595 1.00 0.00 H new ATOM 0 HB2 LYS A 822 -11.825 8.171 -0.973 1.00 0.00 H new ATOM 0 HB3 LYS A 822 -11.321 6.605 -0.369 1.00 0.00 H new ATOM 0 HG2 LYS A 822 -11.300 7.302 1.850 1.00 0.00 H new ATOM 0 HG3 LYS A 822 -11.010 8.981 1.440 1.00 0.00 H new ATOM 0 HD2 LYS A 822 -13.423 8.737 0.284 1.00 0.00 H new ATOM 0 HD3 LYS A 822 -13.591 7.445 1.456 1.00 0.00 H new ATOM 0 HE2 LYS A 822 -14.442 9.452 2.478 1.00 0.00 H new ATOM 0 HE3 LYS A 822 -12.927 9.067 3.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 822 -13.384 11.470 2.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 822 -11.838 10.809 2.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 822 -12.932 10.900 0.956 1.00 0.00 H new ATOM 596 N ALA A 823 -8.848 10.044 0.396 1.00 0.00 N ATOM 597 CA ALA A 823 -8.592 11.476 0.492 1.00 0.00 C ATOM 598 C ALA A 823 -7.656 11.941 -0.619 1.00 0.00 C ATOM 599 O ALA A 823 -7.731 13.085 -1.069 1.00 0.00 O ATOM 600 CB ALA A 823 -8.007 11.817 1.855 1.00 0.00 C ATOM 0 H ALA A 823 -8.471 9.495 1.169 1.00 0.00 H new ATOM 0 HA ALA A 823 -9.541 11.999 0.375 1.00 0.00 H new ATOM 0 HB1 ALA A 823 -7.821 12.889 1.913 1.00 0.00 H new ATOM 0 HB2 ALA A 823 -8.711 11.528 2.636 1.00 0.00 H new ATOM 0 HB3 ALA A 823 -7.070 11.278 1.994 1.00 0.00 H new ATOM 606 N HIS A 824 -6.774 11.048 -1.057 1.00 0.00 N ATOM 607 CA HIS A 824 -5.823 11.368 -2.115 1.00 0.00 C ATOM 608 C HIS A 824 -6.429 11.099 -3.490 1.00 0.00 C ATOM 609 O HIS A 824 -6.496 11.990 -4.335 1.00 0.00 O ATOM 610 CB HIS A 824 -4.541 10.554 -1.942 1.00 0.00 C ATOM 611 CG HIS A 824 -3.834 10.819 -0.649 1.00 0.00 C ATOM 612 ND1 HIS A 824 -3.382 12.069 -0.281 1.00 0.00 N ATOM 613 CD2 HIS A 824 -3.502 9.986 0.366 1.00 0.00 C ATOM 614 CE1 HIS A 824 -2.801 11.993 0.904 1.00 0.00 C ATOM 615 NE2 HIS A 824 -2.861 10.740 1.318 1.00 0.00 N ATOM 0 H HIS A 824 -6.698 10.097 -0.695 1.00 0.00 H new ATOM 0 HA HIS A 824 -5.583 12.429 -2.044 1.00 0.00 H new ATOM 0 HB2 HIS A 824 -4.783 9.493 -2.004 1.00 0.00 H new ATOM 0 HB3 HIS A 824 -3.865 10.775 -2.768 1.00 0.00 H new ATOM 0 HD2 HIS A 824 -3.704 8.926 0.417 1.00 0.00 H new ATOM 0 HE1 HIS A 824 -2.353 12.815 1.442 1.00 0.00 H new ATOM 0 HE2 HIS A 824 -2.491 10.389 2.202 1.00 0.00 H new ATOM 623 N GLY A 825 -6.869 9.863 -3.706 1.00 0.00 N ATOM 624 CA GLY A 825 -7.462 9.498 -4.979 1.00 0.00 C ATOM 625 C GLY A 825 -8.695 8.632 -4.817 1.00 0.00 C ATOM 626 O GLY A 825 -9.560 8.916 -3.987 1.00 0.00 O ATOM 0 H GLY A 825 -6.825 9.108 -3.022 1.00 0.00 H new ATOM 0 HA2 GLY A 825 -7.727 10.403 -5.526 1.00 0.00 H new ATOM 0 HA3 GLY A 825 -6.725 8.966 -5.581 1.00 0.00 H new ATOM 630 N THR A 826 -8.779 7.570 -5.612 1.00 0.00 N ATOM 631 CA THR A 826 -9.916 6.660 -5.556 1.00 0.00 C ATOM 632 C THR A 826 -9.488 5.272 -5.094 1.00 0.00 C ATOM 633 O THR A 826 -8.668 4.618 -5.739 1.00 0.00 O ATOM 634 CB THR A 826 -10.610 6.542 -6.926 1.00 0.00 C ATOM 635 OG1 THR A 826 -11.135 7.814 -7.321 1.00 0.00 O ATOM 636 CG2 THR A 826 -11.732 5.517 -6.878 1.00 0.00 C ATOM 0 H THR A 826 -8.072 7.319 -6.303 1.00 0.00 H new ATOM 0 HA THR A 826 -10.619 7.078 -4.836 1.00 0.00 H new ATOM 0 HB THR A 826 -9.870 6.213 -7.656 1.00 0.00 H new ATOM 0 HG1 THR A 826 -11.573 7.730 -8.194 1.00 0.00 H new ATOM 0 HG21 THR A 826 -12.207 5.451 -7.857 1.00 0.00 H new ATOM 0 HG22 THR A 826 -11.324 4.543 -6.607 1.00 0.00 H new ATOM 0 HG23 THR A 826 -12.471 5.820 -6.136 1.00 0.00 H new ATOM 644 N VAL A 827 -10.047 4.827 -3.973 1.00 0.00 N ATOM 645 CA VAL A 827 -9.724 3.515 -3.426 1.00 0.00 C ATOM 646 C VAL A 827 -10.539 2.420 -4.105 1.00 0.00 C ATOM 647 O VAL A 827 -11.764 2.378 -3.986 1.00 0.00 O ATOM 648 CB VAL A 827 -9.977 3.462 -1.908 1.00 0.00 C ATOM 649 CG1 VAL A 827 -9.634 2.087 -1.356 1.00 0.00 C ATOM 650 CG2 VAL A 827 -9.179 4.545 -1.197 1.00 0.00 C ATOM 0 H VAL A 827 -10.726 5.356 -3.426 1.00 0.00 H new ATOM 0 HA VAL A 827 -8.664 3.345 -3.616 1.00 0.00 H new ATOM 0 HB VAL A 827 -11.036 3.645 -1.728 1.00 0.00 H new ATOM 0 HG11 VAL A 827 -9.819 2.069 -0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 827 -10.254 1.334 -1.844 1.00 0.00 H new ATOM 0 HG13 VAL A 827 -8.583 1.870 -1.546 1.00 0.00 H new ATOM 0 HG21 VAL A 827 -9.370 4.493 -0.125 1.00 0.00 H new ATOM 0 HG22 VAL A 827 -8.116 4.395 -1.384 1.00 0.00 H new ATOM 0 HG23 VAL A 827 -9.479 5.523 -1.572 1.00 0.00 H new ATOM 660 N LYS A 828 -9.852 1.535 -4.818 1.00 0.00 N ATOM 661 CA LYS A 828 -10.511 0.437 -5.516 1.00 0.00 C ATOM 662 C LYS A 828 -10.646 -0.782 -4.608 1.00 0.00 C ATOM 663 O LYS A 828 -11.646 -1.497 -4.660 1.00 0.00 O ATOM 664 CB LYS A 828 -9.727 0.063 -6.776 1.00 0.00 C ATOM 665 CG LYS A 828 -9.881 1.064 -7.908 1.00 0.00 C ATOM 666 CD LYS A 828 -11.273 1.009 -8.516 1.00 0.00 C ATOM 667 CE LYS A 828 -11.478 -0.264 -9.322 1.00 0.00 C ATOM 668 NZ LYS A 828 -12.472 -0.075 -10.415 1.00 0.00 N ATOM 0 H LYS A 828 -8.838 1.556 -4.928 1.00 0.00 H new ATOM 0 HA LYS A 828 -11.510 0.768 -5.801 1.00 0.00 H new ATOM 0 HB2 LYS A 828 -8.671 -0.027 -6.523 1.00 0.00 H new ATOM 0 HB3 LYS A 828 -10.057 -0.917 -7.121 1.00 0.00 H new ATOM 0 HG2 LYS A 828 -9.685 2.069 -7.535 1.00 0.00 H new ATOM 0 HG3 LYS A 828 -9.138 0.860 -8.679 1.00 0.00 H new ATOM 0 HD2 LYS A 828 -12.020 1.064 -7.724 1.00 0.00 H new ATOM 0 HD3 LYS A 828 -11.425 1.876 -9.158 1.00 0.00 H new ATOM 0 HE2 LYS A 828 -10.526 -0.581 -9.748 1.00 0.00 H new ATOM 0 HE3 LYS A 828 -11.813 -1.063 -8.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 828 -12.390 -0.855 -11.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 828 -13.432 -0.066 -10.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 828 -12.290 0.828 -10.897 1.00 0.00 H new ATOM 682 N ASP A 829 -9.634 -1.010 -3.778 1.00 0.00 N ATOM 683 CA ASP A 829 -9.642 -2.141 -2.857 1.00 0.00 C ATOM 684 C ASP A 829 -8.622 -1.939 -1.741 1.00 0.00 C ATOM 685 O ASP A 829 -7.552 -1.368 -1.959 1.00 0.00 O ATOM 686 CB ASP A 829 -9.345 -3.440 -3.608 1.00 0.00 C ATOM 687 CG ASP A 829 -10.603 -4.111 -4.123 1.00 0.00 C ATOM 688 OD1 ASP A 829 -11.393 -4.606 -3.294 1.00 0.00 O ATOM 689 OD2 ASP A 829 -10.796 -4.141 -5.357 1.00 0.00 O ATOM 0 H ASP A 829 -8.798 -0.427 -3.724 1.00 0.00 H new ATOM 0 HA ASP A 829 -10.634 -2.208 -2.411 1.00 0.00 H new ATOM 0 HB2 ASP A 829 -8.681 -3.228 -4.446 1.00 0.00 H new ATOM 0 HB3 ASP A 829 -8.815 -4.126 -2.947 1.00 0.00 H new ATOM 694 N LEU A 830 -8.959 -2.410 -0.546 1.00 0.00 N ATOM 695 CA LEU A 830 -8.073 -2.281 0.606 1.00 0.00 C ATOM 696 C LEU A 830 -8.094 -3.548 1.454 1.00 0.00 C ATOM 697 O LEU A 830 -9.159 -4.038 1.830 1.00 0.00 O ATOM 698 CB LEU A 830 -8.482 -1.077 1.457 1.00 0.00 C ATOM 699 CG LEU A 830 -7.366 -0.417 2.267 1.00 0.00 C ATOM 700 CD1 LEU A 830 -7.759 0.997 2.665 1.00 0.00 C ATOM 701 CD2 LEU A 830 -7.038 -1.248 3.499 1.00 0.00 C ATOM 0 H LEU A 830 -9.840 -2.885 -0.349 1.00 0.00 H new ATOM 0 HA LEU A 830 -7.058 -2.130 0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 830 -8.920 -0.325 0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 830 -9.265 -1.394 2.146 1.00 0.00 H new ATOM 0 HG LEU A 830 -6.474 -0.362 1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 830 -6.952 1.450 3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 830 -7.943 1.590 1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 830 -8.664 0.966 3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 830 -6.242 -0.763 4.063 1.00 0.00 H new ATOM 0 HD22 LEU A 830 -7.926 -1.336 4.126 1.00 0.00 H new ATOM 0 HD23 LEU A 830 -6.712 -2.241 3.191 1.00 0.00 H new ATOM 713 N ARG A 831 -6.911 -4.073 1.754 1.00 0.00 N ATOM 714 CA ARG A 831 -6.793 -5.283 2.559 1.00 0.00 C ATOM 715 C ARG A 831 -5.763 -5.100 3.669 1.00 0.00 C ATOM 716 O ARG A 831 -4.778 -4.379 3.504 1.00 0.00 O ATOM 717 CB ARG A 831 -6.404 -6.472 1.678 1.00 0.00 C ATOM 718 CG ARG A 831 -4.921 -6.525 1.348 1.00 0.00 C ATOM 719 CD ARG A 831 -4.537 -7.856 0.721 1.00 0.00 C ATOM 720 NE ARG A 831 -5.212 -8.075 -0.555 1.00 0.00 N ATOM 721 CZ ARG A 831 -4.998 -9.133 -1.328 1.00 0.00 C ATOM 722 NH1 ARG A 831 -4.131 -10.065 -0.956 1.00 0.00 N ATOM 723 NH2 ARG A 831 -5.651 -9.262 -2.476 1.00 0.00 N ATOM 0 H ARG A 831 -6.020 -3.679 1.452 1.00 0.00 H new ATOM 0 HA ARG A 831 -7.763 -5.480 3.016 1.00 0.00 H new ATOM 0 HB2 ARG A 831 -6.689 -7.396 2.182 1.00 0.00 H new ATOM 0 HB3 ARG A 831 -6.973 -6.427 0.749 1.00 0.00 H new ATOM 0 HG2 ARG A 831 -4.670 -5.714 0.665 1.00 0.00 H new ATOM 0 HG3 ARG A 831 -4.339 -6.368 2.256 1.00 0.00 H new ATOM 0 HD2 ARG A 831 -3.458 -7.888 0.570 1.00 0.00 H new ATOM 0 HD3 ARG A 831 -4.787 -8.665 1.407 1.00 0.00 H new ATOM 0 HE ARG A 831 -5.885 -7.376 -0.870 1.00 0.00 H new ATOM 0 HH11 ARG A 831 -3.627 -9.970 -0.074 1.00 0.00 H new ATOM 0 HH12 ARG A 831 -3.968 -10.877 -1.552 1.00 0.00 H new ATOM 0 HH21 ARG A 831 -6.319 -8.548 -2.766 1.00 0.00 H new ATOM 0 HH22 ARG A 831 -5.485 -10.076 -3.068 1.00 0.00 H new ATOM 737 N LEU A 832 -5.997 -5.755 4.801 1.00 0.00 N ATOM 738 CA LEU A 832 -5.090 -5.664 5.939 1.00 0.00 C ATOM 739 C LEU A 832 -4.416 -7.006 6.207 1.00 0.00 C ATOM 740 O LEU A 832 -5.014 -8.064 6.006 1.00 0.00 O ATOM 741 CB LEU A 832 -5.848 -5.203 7.185 1.00 0.00 C ATOM 742 CG LEU A 832 -6.409 -3.782 7.142 1.00 0.00 C ATOM 743 CD1 LEU A 832 -7.182 -3.474 8.415 1.00 0.00 C ATOM 744 CD2 LEU A 832 -5.288 -2.772 6.940 1.00 0.00 C ATOM 0 H LEU A 832 -6.807 -6.355 4.955 1.00 0.00 H new ATOM 0 HA LEU A 832 -4.318 -4.932 5.699 1.00 0.00 H new ATOM 0 HB2 LEU A 832 -6.674 -5.893 7.359 1.00 0.00 H new ATOM 0 HB3 LEU A 832 -5.180 -5.282 8.042 1.00 0.00 H new ATOM 0 HG LEU A 832 -7.095 -3.708 6.298 1.00 0.00 H new ATOM 0 HD11 LEU A 832 -7.574 -2.458 8.366 1.00 0.00 H new ATOM 0 HD12 LEU A 832 -8.009 -4.177 8.518 1.00 0.00 H new ATOM 0 HD13 LEU A 832 -6.518 -3.566 9.275 1.00 0.00 H new ATOM 0 HD21 LEU A 832 -5.706 -1.766 6.912 1.00 0.00 H new ATOM 0 HD22 LEU A 832 -4.578 -2.847 7.763 1.00 0.00 H new ATOM 0 HD23 LEU A 832 -4.777 -2.979 6.000 1.00 0.00 H new ATOM 756 N VAL A 833 -3.169 -6.956 6.664 1.00 0.00 N ATOM 757 CA VAL A 833 -2.415 -8.167 6.963 1.00 0.00 C ATOM 758 C VAL A 833 -2.597 -8.583 8.419 1.00 0.00 C ATOM 759 O VAL A 833 -2.502 -7.759 9.329 1.00 0.00 O ATOM 760 CB VAL A 833 -0.913 -7.978 6.679 1.00 0.00 C ATOM 761 CG1 VAL A 833 -0.182 -9.309 6.762 1.00 0.00 C ATOM 762 CG2 VAL A 833 -0.706 -7.330 5.319 1.00 0.00 C ATOM 0 H VAL A 833 -2.659 -6.089 6.835 1.00 0.00 H new ATOM 0 HA VAL A 833 -2.805 -8.950 6.313 1.00 0.00 H new ATOM 0 HB VAL A 833 -0.498 -7.315 7.438 1.00 0.00 H new ATOM 0 HG11 VAL A 833 0.878 -9.155 6.558 1.00 0.00 H new ATOM 0 HG12 VAL A 833 -0.303 -9.729 7.761 1.00 0.00 H new ATOM 0 HG13 VAL A 833 -0.597 -9.998 6.026 1.00 0.00 H new ATOM 0 HG21 VAL A 833 0.361 -7.204 5.135 1.00 0.00 H new ATOM 0 HG22 VAL A 833 -1.136 -7.965 4.544 1.00 0.00 H new ATOM 0 HG23 VAL A 833 -1.195 -6.356 5.302 1.00 0.00 H new ATOM 772 N THR A 834 -2.860 -9.868 8.633 1.00 0.00 N ATOM 773 CA THR A 834 -3.056 -10.394 9.978 1.00 0.00 C ATOM 774 C THR A 834 -2.326 -11.720 10.162 1.00 0.00 C ATOM 775 O THR A 834 -1.650 -12.198 9.253 1.00 0.00 O ATOM 776 CB THR A 834 -4.551 -10.598 10.289 1.00 0.00 C ATOM 777 OG1 THR A 834 -5.070 -11.682 9.511 1.00 0.00 O ATOM 778 CG2 THR A 834 -5.342 -9.332 9.995 1.00 0.00 C ATOM 0 H THR A 834 -2.942 -10.564 7.892 1.00 0.00 H new ATOM 0 HA THR A 834 -2.645 -9.657 10.668 1.00 0.00 H new ATOM 0 HB THR A 834 -4.650 -10.832 11.349 1.00 0.00 H new ATOM 0 HG1 THR A 834 -6.020 -11.806 9.716 1.00 0.00 H new ATOM 0 HG21 THR A 834 -6.395 -9.500 10.222 1.00 0.00 H new ATOM 0 HG22 THR A 834 -4.964 -8.516 10.610 1.00 0.00 H new ATOM 0 HG23 THR A 834 -5.235 -9.072 8.942 1.00 0.00 H new ATOM 786 N ASN A 835 -2.468 -12.309 11.345 1.00 0.00 N ATOM 787 CA ASN A 835 -1.821 -13.580 11.648 1.00 0.00 C ATOM 788 C ASN A 835 -2.855 -14.650 11.985 1.00 0.00 C ATOM 789 O ASN A 835 -4.060 -14.405 11.921 1.00 0.00 O ATOM 790 CB ASN A 835 -0.844 -13.414 12.814 1.00 0.00 C ATOM 791 CG ASN A 835 -1.539 -12.997 14.096 1.00 0.00 C ATOM 792 OD1 ASN A 835 -1.746 -13.810 14.996 1.00 0.00 O ATOM 793 ND2 ASN A 835 -1.904 -11.723 14.183 1.00 0.00 N ATOM 0 H ASN A 835 -3.025 -11.926 12.109 1.00 0.00 H new ATOM 0 HA ASN A 835 -1.270 -13.898 10.763 1.00 0.00 H new ATOM 0 HB2 ASN A 835 -0.316 -14.353 12.979 1.00 0.00 H new ATOM 0 HB3 ASN A 835 -0.093 -12.669 12.552 1.00 0.00 H new ATOM 0 HD21 ASN A 835 -2.376 -11.384 15.021 1.00 0.00 H new ATOM 0 HD22 ASN A 835 -1.712 -11.084 13.412 1.00 0.00 H new ATOM 800 N ARG A 836 -2.376 -15.837 12.344 1.00 0.00 N ATOM 801 CA ARG A 836 -3.258 -16.944 12.690 1.00 0.00 C ATOM 802 C ARG A 836 -4.199 -16.555 13.827 1.00 0.00 C ATOM 803 O ARG A 836 -5.184 -17.242 14.093 1.00 0.00 O ATOM 804 CB ARG A 836 -2.438 -18.172 13.091 1.00 0.00 C ATOM 805 CG ARG A 836 -3.249 -19.456 13.144 1.00 0.00 C ATOM 806 CD ARG A 836 -2.368 -20.680 12.946 1.00 0.00 C ATOM 807 NE ARG A 836 -2.944 -21.873 13.561 1.00 0.00 N ATOM 808 CZ ARG A 836 -2.358 -23.065 13.541 1.00 0.00 C ATOM 809 NH1 ARG A 836 -1.186 -23.222 12.941 1.00 0.00 N ATOM 810 NH2 ARG A 836 -2.944 -24.104 14.123 1.00 0.00 N ATOM 0 H ARG A 836 -1.382 -16.056 12.403 1.00 0.00 H new ATOM 0 HA ARG A 836 -3.857 -17.186 11.812 1.00 0.00 H new ATOM 0 HB2 ARG A 836 -1.619 -18.299 12.383 1.00 0.00 H new ATOM 0 HB3 ARG A 836 -1.989 -17.995 14.069 1.00 0.00 H new ATOM 0 HG2 ARG A 836 -3.760 -19.526 14.104 1.00 0.00 H new ATOM 0 HG3 ARG A 836 -4.020 -19.433 12.374 1.00 0.00 H new ATOM 0 HD2 ARG A 836 -2.224 -20.855 11.880 1.00 0.00 H new ATOM 0 HD3 ARG A 836 -1.383 -20.491 13.373 1.00 0.00 H new ATOM 0 HE ARG A 836 -3.845 -21.786 14.031 1.00 0.00 H new ATOM 0 HH11 ARG A 836 -0.732 -22.426 12.493 1.00 0.00 H new ATOM 0 HH12 ARG A 836 -0.739 -24.139 12.927 1.00 0.00 H new ATOM 0 HH21 ARG A 836 -3.845 -23.988 14.586 1.00 0.00 H new ATOM 0 HH22 ARG A 836 -2.493 -25.019 14.107 1.00 0.00 H new ATOM 824 N ALA A 837 -3.887 -15.448 14.493 1.00 0.00 N ATOM 825 CA ALA A 837 -4.706 -14.966 15.599 1.00 0.00 C ATOM 826 C ALA A 837 -5.758 -13.975 15.113 1.00 0.00 C ATOM 827 O ALA A 837 -6.882 -13.954 15.612 1.00 0.00 O ATOM 828 CB ALA A 837 -3.828 -14.327 16.665 1.00 0.00 C ATOM 0 H ALA A 837 -3.074 -14.868 14.286 1.00 0.00 H new ATOM 0 HA ALA A 837 -5.224 -15.820 16.034 1.00 0.00 H new ATOM 0 HB1 ALA A 837 -4.452 -13.971 17.485 1.00 0.00 H new ATOM 0 HB2 ALA A 837 -3.119 -15.064 17.042 1.00 0.00 H new ATOM 0 HB3 ALA A 837 -3.284 -13.487 16.233 1.00 0.00 H new ATOM 834 N GLY A 838 -5.385 -13.155 14.135 1.00 0.00 N ATOM 835 CA GLY A 838 -6.308 -12.172 13.599 1.00 0.00 C ATOM 836 C GLY A 838 -5.880 -10.749 13.900 1.00 0.00 C ATOM 837 O GLY A 838 -6.238 -9.819 13.177 1.00 0.00 O ATOM 0 H GLY A 838 -4.460 -13.154 13.705 1.00 0.00 H new ATOM 0 HA2 GLY A 838 -6.388 -12.304 12.520 1.00 0.00 H new ATOM 0 HA3 GLY A 838 -7.300 -12.345 14.015 1.00 0.00 H new ATOM 841 N LYS A 839 -5.111 -10.578 14.970 1.00 0.00 N ATOM 842 CA LYS A 839 -4.633 -9.259 15.366 1.00 0.00 C ATOM 843 C LYS A 839 -3.782 -8.636 14.265 1.00 0.00 C ATOM 844 O LYS A 839 -3.032 -9.318 13.565 1.00 0.00 O ATOM 845 CB LYS A 839 -3.822 -9.355 16.660 1.00 0.00 C ATOM 846 CG LYS A 839 -4.607 -9.923 17.830 1.00 0.00 C ATOM 847 CD LYS A 839 -5.309 -8.827 18.615 1.00 0.00 C ATOM 848 CE LYS A 839 -4.345 -8.101 19.541 1.00 0.00 C ATOM 849 NZ LYS A 839 -4.079 -8.878 20.784 1.00 0.00 N ATOM 0 H LYS A 839 -4.805 -11.337 15.579 1.00 0.00 H new ATOM 0 HA LYS A 839 -5.501 -8.621 15.535 1.00 0.00 H new ATOM 0 HB2 LYS A 839 -2.946 -9.979 16.484 1.00 0.00 H new ATOM 0 HB3 LYS A 839 -3.458 -8.362 16.925 1.00 0.00 H new ATOM 0 HG2 LYS A 839 -5.344 -10.637 17.463 1.00 0.00 H new ATOM 0 HG3 LYS A 839 -3.934 -10.470 18.490 1.00 0.00 H new ATOM 0 HD2 LYS A 839 -5.758 -8.114 17.924 1.00 0.00 H new ATOM 0 HD3 LYS A 839 -6.121 -9.259 19.200 1.00 0.00 H new ATOM 0 HE2 LYS A 839 -3.406 -7.920 19.018 1.00 0.00 H new ATOM 0 HE3 LYS A 839 -4.757 -7.127 19.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 839 -3.418 -8.350 21.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 839 -4.971 -9.029 21.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 839 -3.662 -9.798 20.536 1.00 0.00 H new ATOM 863 N PRO A 840 -3.896 -7.309 14.106 1.00 0.00 N ATOM 864 CA PRO A 840 -3.142 -6.565 13.093 1.00 0.00 C ATOM 865 C PRO A 840 -1.653 -6.496 13.412 1.00 0.00 C ATOM 866 O PRO A 840 -1.261 -6.140 14.524 1.00 0.00 O ATOM 867 CB PRO A 840 -3.764 -5.167 13.143 1.00 0.00 C ATOM 868 CG PRO A 840 -4.321 -5.050 14.520 1.00 0.00 C ATOM 869 CD PRO A 840 -4.770 -6.433 14.905 1.00 0.00 C ATOM 0 HA PRO A 840 -3.201 -7.038 12.113 1.00 0.00 H new ATOM 0 HB2 PRO A 840 -3.019 -4.395 12.950 1.00 0.00 H new ATOM 0 HB3 PRO A 840 -4.543 -5.053 12.390 1.00 0.00 H new ATOM 0 HG2 PRO A 840 -3.569 -4.677 15.215 1.00 0.00 H new ATOM 0 HG3 PRO A 840 -5.155 -4.348 14.545 1.00 0.00 H new ATOM 0 HD2 PRO A 840 -4.650 -6.612 15.974 1.00 0.00 H new ATOM 0 HD3 PRO A 840 -5.822 -6.594 14.671 1.00 0.00 H new ATOM 877 N LYS A 841 -0.826 -6.840 12.431 1.00 0.00 N ATOM 878 CA LYS A 841 0.622 -6.817 12.606 1.00 0.00 C ATOM 879 C LYS A 841 1.198 -5.466 12.193 1.00 0.00 C ATOM 880 O LYS A 841 2.393 -5.218 12.344 1.00 0.00 O ATOM 881 CB LYS A 841 1.273 -7.933 11.787 1.00 0.00 C ATOM 882 CG LYS A 841 0.733 -9.316 12.105 1.00 0.00 C ATOM 883 CD LYS A 841 0.947 -10.279 10.950 1.00 0.00 C ATOM 884 CE LYS A 841 2.320 -10.096 10.320 1.00 0.00 C ATOM 885 NZ LYS A 841 2.633 -11.180 9.348 1.00 0.00 N ATOM 0 H LYS A 841 -1.134 -7.138 11.505 1.00 0.00 H new ATOM 0 HA LYS A 841 0.838 -6.977 13.662 1.00 0.00 H new ATOM 0 HB2 LYS A 841 1.123 -7.729 10.727 1.00 0.00 H new ATOM 0 HB3 LYS A 841 2.348 -7.922 11.965 1.00 0.00 H new ATOM 0 HG2 LYS A 841 1.225 -9.703 12.998 1.00 0.00 H new ATOM 0 HG3 LYS A 841 -0.331 -9.249 12.331 1.00 0.00 H new ATOM 0 HD2 LYS A 841 0.842 -11.304 11.305 1.00 0.00 H new ATOM 0 HD3 LYS A 841 0.176 -10.122 10.196 1.00 0.00 H new ATOM 0 HE2 LYS A 841 2.362 -9.131 9.814 1.00 0.00 H new ATOM 0 HE3 LYS A 841 3.079 -10.079 11.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 3.576 -11.019 8.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 2.618 -12.098 9.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 1.923 -11.180 8.588 1.00 0.00 H new ATOM 899 N GLY A 842 0.339 -4.596 11.671 1.00 0.00 N ATOM 900 CA GLY A 842 0.781 -3.281 11.246 1.00 0.00 C ATOM 901 C GLY A 842 0.812 -3.139 9.737 1.00 0.00 C ATOM 902 O GLY A 842 0.468 -2.087 9.197 1.00 0.00 O ATOM 0 H GLY A 842 -0.655 -4.779 11.535 1.00 0.00 H new ATOM 0 HA2 GLY A 842 0.117 -2.525 11.665 1.00 0.00 H new ATOM 0 HA3 GLY A 842 1.776 -3.089 11.646 1.00 0.00 H new ATOM 906 N LEU A 843 1.226 -4.200 9.053 1.00 0.00 N ATOM 907 CA LEU A 843 1.302 -4.190 7.596 1.00 0.00 C ATOM 908 C LEU A 843 -0.089 -4.088 6.979 1.00 0.00 C ATOM 909 O LEU A 843 -1.037 -4.712 7.455 1.00 0.00 O ATOM 910 CB LEU A 843 2.005 -5.452 7.094 1.00 0.00 C ATOM 911 CG LEU A 843 3.437 -5.663 7.586 1.00 0.00 C ATOM 912 CD1 LEU A 843 3.915 -7.068 7.250 1.00 0.00 C ATOM 913 CD2 LEU A 843 4.368 -4.623 6.982 1.00 0.00 C ATOM 0 H LEU A 843 1.514 -5.078 9.484 1.00 0.00 H new ATOM 0 HA LEU A 843 1.878 -3.316 7.292 1.00 0.00 H new ATOM 0 HB2 LEU A 843 1.410 -6.317 7.388 1.00 0.00 H new ATOM 0 HB3 LEU A 843 2.016 -5.428 6.004 1.00 0.00 H new ATOM 0 HG LEU A 843 3.449 -5.546 8.670 1.00 0.00 H new ATOM 0 HD11 LEU A 843 4.936 -7.200 7.608 1.00 0.00 H new ATOM 0 HD12 LEU A 843 3.265 -7.798 7.731 1.00 0.00 H new ATOM 0 HD13 LEU A 843 3.887 -7.213 6.170 1.00 0.00 H new ATOM 0 HD21 LEU A 843 5.383 -4.789 7.344 1.00 0.00 H new ATOM 0 HD22 LEU A 843 4.352 -4.707 5.895 1.00 0.00 H new ATOM 0 HD23 LEU A 843 4.038 -3.626 7.273 1.00 0.00 H new ATOM 925 N ALA A 844 -0.202 -3.301 5.915 1.00 0.00 N ATOM 926 CA ALA A 844 -1.476 -3.121 5.230 1.00 0.00 C ATOM 927 C ALA A 844 -1.274 -2.971 3.726 1.00 0.00 C ATOM 928 O ALA A 844 -0.194 -2.595 3.269 1.00 0.00 O ATOM 929 CB ALA A 844 -2.211 -1.912 5.789 1.00 0.00 C ATOM 0 H ALA A 844 0.573 -2.778 5.508 1.00 0.00 H new ATOM 0 HA ALA A 844 -2.081 -4.011 5.402 1.00 0.00 H new ATOM 0 HB1 ALA A 844 -3.160 -1.790 5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 844 -2.397 -2.059 6.853 1.00 0.00 H new ATOM 0 HB3 ALA A 844 -1.602 -1.019 5.648 1.00 0.00 H new ATOM 935 N TYR A 845 -2.319 -3.267 2.961 1.00 0.00 N ATOM 936 CA TYR A 845 -2.255 -3.167 1.507 1.00 0.00 C ATOM 937 C TYR A 845 -3.411 -2.332 0.967 1.00 0.00 C ATOM 938 O TYR A 845 -4.543 -2.439 1.439 1.00 0.00 O ATOM 939 CB TYR A 845 -2.280 -4.561 0.878 1.00 0.00 C ATOM 940 CG TYR A 845 -0.908 -5.175 0.710 1.00 0.00 C ATOM 941 CD1 TYR A 845 -0.200 -5.653 1.805 1.00 0.00 C ATOM 942 CD2 TYR A 845 -0.320 -5.276 -0.545 1.00 0.00 C ATOM 943 CE1 TYR A 845 1.054 -6.213 1.656 1.00 0.00 C ATOM 944 CE2 TYR A 845 0.933 -5.837 -0.704 1.00 0.00 C ATOM 945 CZ TYR A 845 1.616 -6.303 0.400 1.00 0.00 C ATOM 946 OH TYR A 845 2.864 -6.862 0.247 1.00 0.00 O ATOM 0 H TYR A 845 -3.220 -3.578 3.323 1.00 0.00 H new ATOM 0 HA TYR A 845 -1.320 -2.673 1.243 1.00 0.00 H new ATOM 0 HB2 TYR A 845 -2.890 -5.219 1.497 1.00 0.00 H new ATOM 0 HB3 TYR A 845 -2.764 -4.502 -0.097 1.00 0.00 H new ATOM 0 HD1 TYR A 845 -0.637 -5.586 2.790 1.00 0.00 H new ATOM 0 HD2 TYR A 845 -0.851 -4.910 -1.411 1.00 0.00 H new ATOM 0 HE1 TYR A 845 1.591 -6.578 2.519 1.00 0.00 H new ATOM 0 HE2 TYR A 845 1.375 -5.910 -1.687 1.00 0.00 H new ATOM 0 HH TYR A 845 3.114 -6.850 -0.701 1.00 0.00 H new ATOM 956 N VAL A 846 -3.118 -1.501 -0.028 1.00 0.00 N ATOM 957 CA VAL A 846 -4.133 -0.648 -0.636 1.00 0.00 C ATOM 958 C VAL A 846 -4.116 -0.771 -2.155 1.00 0.00 C ATOM 959 O VAL A 846 -3.113 -1.174 -2.743 1.00 0.00 O ATOM 960 CB VAL A 846 -3.929 0.829 -0.249 1.00 0.00 C ATOM 961 CG1 VAL A 846 -5.084 1.679 -0.757 1.00 0.00 C ATOM 962 CG2 VAL A 846 -3.777 0.969 1.258 1.00 0.00 C ATOM 0 H VAL A 846 -2.186 -1.400 -0.430 1.00 0.00 H new ATOM 0 HA VAL A 846 -5.098 -0.985 -0.258 1.00 0.00 H new ATOM 0 HB VAL A 846 -3.012 1.186 -0.719 1.00 0.00 H new ATOM 0 HG11 VAL A 846 -4.922 2.719 -0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 846 -5.142 1.603 -1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 846 -6.017 1.325 -0.319 1.00 0.00 H new ATOM 0 HG21 VAL A 846 -3.634 2.019 1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 846 -4.675 0.595 1.751 1.00 0.00 H new ATOM 0 HG23 VAL A 846 -2.914 0.393 1.592 1.00 0.00 H new ATOM 972 N GLU A 847 -5.233 -0.421 -2.784 1.00 0.00 N ATOM 973 CA GLU A 847 -5.346 -0.493 -4.236 1.00 0.00 C ATOM 974 C GLU A 847 -6.098 0.717 -4.784 1.00 0.00 C ATOM 975 O GLU A 847 -7.263 0.939 -4.455 1.00 0.00 O ATOM 976 CB GLU A 847 -6.060 -1.781 -4.651 1.00 0.00 C ATOM 977 CG GLU A 847 -5.633 -2.302 -6.013 1.00 0.00 C ATOM 978 CD GLU A 847 -6.217 -3.666 -6.325 1.00 0.00 C ATOM 979 OE1 GLU A 847 -5.948 -4.615 -5.560 1.00 0.00 O ATOM 980 OE2 GLU A 847 -6.943 -3.784 -7.334 1.00 0.00 O ATOM 0 H GLU A 847 -6.072 -0.085 -2.311 1.00 0.00 H new ATOM 0 HA GLU A 847 -4.339 -0.493 -4.653 1.00 0.00 H new ATOM 0 HB2 GLU A 847 -5.870 -2.549 -3.902 1.00 0.00 H new ATOM 0 HB3 GLU A 847 -7.135 -1.604 -4.660 1.00 0.00 H new ATOM 0 HG2 GLU A 847 -5.942 -1.594 -6.782 1.00 0.00 H new ATOM 0 HG3 GLU A 847 -4.545 -2.359 -6.051 1.00 0.00 H new ATOM 987 N TYR A 848 -5.422 1.497 -5.621 1.00 0.00 N ATOM 988 CA TYR A 848 -6.023 2.686 -6.212 1.00 0.00 C ATOM 989 C TYR A 848 -6.588 2.380 -7.596 1.00 0.00 C ATOM 990 O TYR A 848 -6.583 1.232 -8.040 1.00 0.00 O ATOM 991 CB TYR A 848 -4.992 3.811 -6.307 1.00 0.00 C ATOM 992 CG TYR A 848 -4.946 4.696 -5.082 1.00 0.00 C ATOM 993 CD1 TYR A 848 -4.220 4.322 -3.958 1.00 0.00 C ATOM 994 CD2 TYR A 848 -5.628 5.905 -5.048 1.00 0.00 C ATOM 995 CE1 TYR A 848 -4.175 5.126 -2.836 1.00 0.00 C ATOM 996 CE2 TYR A 848 -5.588 6.717 -3.931 1.00 0.00 C ATOM 997 CZ TYR A 848 -4.861 6.323 -2.827 1.00 0.00 C ATOM 998 OH TYR A 848 -4.820 7.128 -1.712 1.00 0.00 O ATOM 0 H TYR A 848 -4.457 1.327 -5.905 1.00 0.00 H new ATOM 0 HA TYR A 848 -6.842 3.007 -5.568 1.00 0.00 H new ATOM 0 HB2 TYR A 848 -4.006 3.376 -6.468 1.00 0.00 H new ATOM 0 HB3 TYR A 848 -5.216 4.424 -7.180 1.00 0.00 H new ATOM 0 HD1 TYR A 848 -3.681 3.386 -3.962 1.00 0.00 H new ATOM 0 HD2 TYR A 848 -6.200 6.216 -5.910 1.00 0.00 H new ATOM 0 HE1 TYR A 848 -3.606 4.820 -1.971 1.00 0.00 H new ATOM 0 HE2 TYR A 848 -6.123 7.655 -3.922 1.00 0.00 H new ATOM 0 HH TYR A 848 -5.734 7.329 -1.420 1.00 0.00 H new ATOM 1008 N GLU A 849 -7.073 3.417 -8.273 1.00 0.00 N ATOM 1009 CA GLU A 849 -7.641 3.259 -9.606 1.00 0.00 C ATOM 1010 C GLU A 849 -6.652 3.711 -10.676 1.00 0.00 C ATOM 1011 O GLU A 849 -6.561 3.110 -11.746 1.00 0.00 O ATOM 1012 CB GLU A 849 -8.941 4.057 -9.728 1.00 0.00 C ATOM 1013 CG GLU A 849 -9.462 4.158 -11.152 1.00 0.00 C ATOM 1014 CD GLU A 849 -10.155 2.890 -11.611 1.00 0.00 C ATOM 1015 OE1 GLU A 849 -9.453 1.965 -12.072 1.00 0.00 O ATOM 1016 OE2 GLU A 849 -11.397 2.822 -11.511 1.00 0.00 O ATOM 0 H GLU A 849 -7.084 4.374 -7.920 1.00 0.00 H new ATOM 0 HA GLU A 849 -7.856 2.201 -9.758 1.00 0.00 H new ATOM 0 HB2 GLU A 849 -9.703 3.591 -9.103 1.00 0.00 H new ATOM 0 HB3 GLU A 849 -8.779 5.062 -9.337 1.00 0.00 H new ATOM 0 HG2 GLU A 849 -10.158 4.994 -11.222 1.00 0.00 H new ATOM 0 HG3 GLU A 849 -8.632 4.378 -11.824 1.00 0.00 H new ATOM 1023 N ASN A 850 -5.913 4.775 -10.379 1.00 0.00 N ATOM 1024 CA ASN A 850 -4.930 5.309 -11.315 1.00 0.00 C ATOM 1025 C ASN A 850 -3.521 5.210 -10.740 1.00 0.00 C ATOM 1026 O ASN A 850 -3.339 4.852 -9.577 1.00 0.00 O ATOM 1027 CB ASN A 850 -5.255 6.765 -11.652 1.00 0.00 C ATOM 1028 CG ASN A 850 -4.746 7.170 -13.022 1.00 0.00 C ATOM 1029 OD1 ASN A 850 -3.539 7.260 -13.247 1.00 0.00 O ATOM 1030 ND2 ASN A 850 -5.668 7.416 -13.946 1.00 0.00 N ATOM 0 H ASN A 850 -5.976 5.284 -9.498 1.00 0.00 H new ATOM 0 HA ASN A 850 -4.973 4.714 -12.227 1.00 0.00 H new ATOM 0 HB2 ASN A 850 -6.334 6.912 -11.610 1.00 0.00 H new ATOM 0 HB3 ASN A 850 -4.815 7.417 -10.897 1.00 0.00 H new ATOM 0 HD21 ASN A 850 -5.386 7.692 -14.887 1.00 0.00 H new ATOM 0 HD22 ASN A 850 -6.658 7.329 -13.715 1.00 0.00 H new ATOM 1037 N GLU A 851 -2.527 5.531 -11.563 1.00 0.00 N ATOM 1038 CA GLU A 851 -1.134 5.478 -11.136 1.00 0.00 C ATOM 1039 C GLU A 851 -0.740 6.760 -10.408 1.00 0.00 C ATOM 1040 O GLU A 851 -0.115 6.717 -9.348 1.00 0.00 O ATOM 1041 CB GLU A 851 -0.216 5.259 -12.340 1.00 0.00 C ATOM 1042 CG GLU A 851 -0.584 4.043 -13.174 1.00 0.00 C ATOM 1043 CD GLU A 851 -0.108 2.745 -12.553 1.00 0.00 C ATOM 1044 OE1 GLU A 851 0.818 2.791 -11.716 1.00 0.00 O ATOM 1045 OE2 GLU A 851 -0.661 1.682 -12.904 1.00 0.00 O ATOM 0 H GLU A 851 -2.661 5.830 -12.529 1.00 0.00 H new ATOM 0 HA GLU A 851 -1.023 4.640 -10.447 1.00 0.00 H new ATOM 0 HB2 GLU A 851 -0.244 6.145 -12.974 1.00 0.00 H new ATOM 0 HB3 GLU A 851 0.810 5.151 -11.989 1.00 0.00 H new ATOM 0 HG2 GLU A 851 -1.666 4.006 -13.299 1.00 0.00 H new ATOM 0 HG3 GLU A 851 -0.152 4.145 -14.169 1.00 0.00 H new ATOM 1052 N SER A 852 -1.108 7.899 -10.985 1.00 0.00 N ATOM 1053 CA SER A 852 -0.789 9.193 -10.394 1.00 0.00 C ATOM 1054 C SER A 852 -1.322 9.285 -8.967 1.00 0.00 C ATOM 1055 O SER A 852 -0.594 9.651 -8.045 1.00 0.00 O ATOM 1056 CB SER A 852 -1.375 10.323 -11.243 1.00 0.00 C ATOM 1057 OG SER A 852 -0.607 11.507 -11.116 1.00 0.00 O ATOM 0 H SER A 852 -1.627 7.952 -11.861 1.00 0.00 H new ATOM 0 HA SER A 852 0.296 9.294 -10.365 1.00 0.00 H new ATOM 0 HB2 SER A 852 -1.407 10.017 -12.289 1.00 0.00 H new ATOM 0 HB3 SER A 852 -2.403 10.518 -10.936 1.00 0.00 H new ATOM 0 HG SER A 852 -1.001 12.213 -11.669 1.00 0.00 H new ATOM 1063 N GLN A 853 -2.597 8.951 -8.796 1.00 0.00 N ATOM 1064 CA GLN A 853 -3.228 8.996 -7.482 1.00 0.00 C ATOM 1065 C GLN A 853 -2.389 8.250 -6.449 1.00 0.00 C ATOM 1066 O GLN A 853 -2.020 8.807 -5.416 1.00 0.00 O ATOM 1067 CB GLN A 853 -4.633 8.394 -7.547 1.00 0.00 C ATOM 1068 CG GLN A 853 -5.657 9.309 -8.199 1.00 0.00 C ATOM 1069 CD GLN A 853 -7.046 8.704 -8.226 1.00 0.00 C ATOM 1070 OE1 GLN A 853 -7.966 9.202 -7.577 1.00 0.00 O ATOM 1071 NE2 GLN A 853 -7.206 7.622 -8.980 1.00 0.00 N ATOM 0 H GLN A 853 -3.213 8.647 -9.550 1.00 0.00 H new ATOM 0 HA GLN A 853 -3.301 10.040 -7.177 1.00 0.00 H new ATOM 0 HB2 GLN A 853 -4.592 7.456 -8.100 1.00 0.00 H new ATOM 0 HB3 GLN A 853 -4.964 8.154 -6.536 1.00 0.00 H new ATOM 0 HG2 GLN A 853 -5.688 10.256 -7.660 1.00 0.00 H new ATOM 0 HG3 GLN A 853 -5.342 9.532 -9.218 1.00 0.00 H new ATOM 0 HE21 GLN A 853 -6.416 7.243 -9.502 1.00 0.00 H new ATOM 0 HE22 GLN A 853 -8.119 7.171 -9.037 1.00 0.00 H new ATOM 1080 N ALA A 854 -2.093 6.987 -6.736 1.00 0.00 N ATOM 1081 CA ALA A 854 -1.297 6.165 -5.833 1.00 0.00 C ATOM 1082 C ALA A 854 0.017 6.853 -5.479 1.00 0.00 C ATOM 1083 O ALA A 854 0.325 7.058 -4.305 1.00 0.00 O ATOM 1084 CB ALA A 854 -1.031 4.802 -6.455 1.00 0.00 C ATOM 0 H ALA A 854 -2.392 6.511 -7.587 1.00 0.00 H new ATOM 0 HA ALA A 854 -1.864 6.027 -4.912 1.00 0.00 H new ATOM 0 HB1 ALA A 854 -0.436 4.199 -5.769 1.00 0.00 H new ATOM 0 HB2 ALA A 854 -1.979 4.300 -6.650 1.00 0.00 H new ATOM 0 HB3 ALA A 854 -0.488 4.929 -7.392 1.00 0.00 H new ATOM 1090 N SER A 855 0.788 7.206 -6.502 1.00 0.00 N ATOM 1091 CA SER A 855 2.072 7.867 -6.299 1.00 0.00 C ATOM 1092 C SER A 855 1.949 8.989 -5.273 1.00 0.00 C ATOM 1093 O SER A 855 2.628 8.982 -4.246 1.00 0.00 O ATOM 1094 CB SER A 855 2.597 8.427 -7.623 1.00 0.00 C ATOM 1095 OG SER A 855 3.981 8.719 -7.541 1.00 0.00 O ATOM 0 H SER A 855 0.546 7.045 -7.480 1.00 0.00 H new ATOM 0 HA SER A 855 2.777 7.127 -5.920 1.00 0.00 H new ATOM 0 HB2 SER A 855 2.421 7.706 -8.421 1.00 0.00 H new ATOM 0 HB3 SER A 855 2.046 9.331 -7.883 1.00 0.00 H new ATOM 0 HG SER A 855 4.292 9.074 -8.400 1.00 0.00 H new ATOM 1101 N GLN A 856 1.079 9.952 -5.560 1.00 0.00 N ATOM 1102 CA GLN A 856 0.867 11.082 -4.662 1.00 0.00 C ATOM 1103 C GLN A 856 0.584 10.603 -3.242 1.00 0.00 C ATOM 1104 O GLN A 856 1.228 11.042 -2.289 1.00 0.00 O ATOM 1105 CB GLN A 856 -0.291 11.947 -5.162 1.00 0.00 C ATOM 1106 CG GLN A 856 -0.175 13.409 -4.761 1.00 0.00 C ATOM 1107 CD GLN A 856 0.773 14.185 -5.653 1.00 0.00 C ATOM 1108 OE1 GLN A 856 1.282 13.659 -6.644 1.00 0.00 O ATOM 1109 NE2 GLN A 856 1.015 15.444 -5.307 1.00 0.00 N ATOM 0 H GLN A 856 0.510 9.973 -6.406 1.00 0.00 H new ATOM 0 HA GLN A 856 1.778 11.680 -4.649 1.00 0.00 H new ATOM 0 HB2 GLN A 856 -0.341 11.880 -6.249 1.00 0.00 H new ATOM 0 HB3 GLN A 856 -1.227 11.546 -4.774 1.00 0.00 H new ATOM 0 HG2 GLN A 856 -1.162 13.871 -4.797 1.00 0.00 H new ATOM 0 HG3 GLN A 856 0.169 13.472 -3.729 1.00 0.00 H new ATOM 0 HE21 GLN A 856 0.572 15.839 -4.478 1.00 0.00 H new ATOM 0 HE22 GLN A 856 1.644 16.016 -5.870 1.00 0.00 H new ATOM 1118 N ALA A 857 -0.383 9.701 -3.108 1.00 0.00 N ATOM 1119 CA ALA A 857 -0.750 9.162 -1.805 1.00 0.00 C ATOM 1120 C ALA A 857 0.484 8.709 -1.031 1.00 0.00 C ATOM 1121 O ALA A 857 0.585 8.923 0.177 1.00 0.00 O ATOM 1122 CB ALA A 857 -1.727 8.007 -1.967 1.00 0.00 C ATOM 0 H ALA A 857 -0.926 9.328 -3.887 1.00 0.00 H new ATOM 0 HA ALA A 857 -1.234 9.955 -1.235 1.00 0.00 H new ATOM 0 HB1 ALA A 857 -1.992 7.614 -0.985 1.00 0.00 H new ATOM 0 HB2 ALA A 857 -2.626 8.359 -2.472 1.00 0.00 H new ATOM 0 HB3 ALA A 857 -1.263 7.219 -2.560 1.00 0.00 H new ATOM 1128 N VAL A 858 1.420 8.079 -1.735 1.00 0.00 N ATOM 1129 CA VAL A 858 2.647 7.596 -1.114 1.00 0.00 C ATOM 1130 C VAL A 858 3.528 8.755 -0.662 1.00 0.00 C ATOM 1131 O VAL A 858 4.049 8.754 0.453 1.00 0.00 O ATOM 1132 CB VAL A 858 3.450 6.702 -2.078 1.00 0.00 C ATOM 1133 CG1 VAL A 858 4.684 6.143 -1.387 1.00 0.00 C ATOM 1134 CG2 VAL A 858 2.575 5.579 -2.615 1.00 0.00 C ATOM 0 H VAL A 858 1.351 7.892 -2.735 1.00 0.00 H new ATOM 0 HA VAL A 858 2.351 7.008 -0.245 1.00 0.00 H new ATOM 0 HB VAL A 858 3.780 7.310 -2.920 1.00 0.00 H new ATOM 0 HG11 VAL A 858 5.238 5.514 -2.084 1.00 0.00 H new ATOM 0 HG12 VAL A 858 5.319 6.965 -1.056 1.00 0.00 H new ATOM 0 HG13 VAL A 858 4.381 5.549 -0.525 1.00 0.00 H new ATOM 0 HG21 VAL A 858 3.158 4.957 -3.294 1.00 0.00 H new ATOM 0 HG22 VAL A 858 2.214 4.971 -1.786 1.00 0.00 H new ATOM 0 HG23 VAL A 858 1.726 6.004 -3.150 1.00 0.00 H new ATOM 1144 N MET A 859 3.690 9.744 -1.536 1.00 0.00 N ATOM 1145 CA MET A 859 4.507 10.911 -1.225 1.00 0.00 C ATOM 1146 C MET A 859 3.914 11.696 -0.059 1.00 0.00 C ATOM 1147 O MET A 859 4.595 12.506 0.569 1.00 0.00 O ATOM 1148 CB MET A 859 4.631 11.815 -2.453 1.00 0.00 C ATOM 1149 CG MET A 859 5.804 11.462 -3.352 1.00 0.00 C ATOM 1150 SD MET A 859 7.395 11.885 -2.616 1.00 0.00 S ATOM 1151 CE MET A 859 8.395 12.120 -4.083 1.00 0.00 C ATOM 0 H MET A 859 3.267 9.760 -2.464 1.00 0.00 H new ATOM 0 HA MET A 859 5.499 10.562 -0.937 1.00 0.00 H new ATOM 0 HB2 MET A 859 3.709 11.756 -3.032 1.00 0.00 H new ATOM 0 HB3 MET A 859 4.735 12.849 -2.124 1.00 0.00 H new ATOM 0 HG2 MET A 859 5.781 10.394 -3.570 1.00 0.00 H new ATOM 0 HG3 MET A 859 5.698 11.984 -4.303 1.00 0.00 H new ATOM 0 HE1 MET A 859 9.411 12.387 -3.792 1.00 0.00 H new ATOM 0 HE2 MET A 859 8.414 11.197 -4.662 1.00 0.00 H new ATOM 0 HE3 MET A 859 7.969 12.919 -4.689 1.00 0.00 H new ATOM 1161 N LYS A 860 2.639 11.451 0.225 1.00 0.00 N ATOM 1162 CA LYS A 860 1.953 12.133 1.315 1.00 0.00 C ATOM 1163 C LYS A 860 1.914 11.259 2.565 1.00 0.00 C ATOM 1164 O LYS A 860 1.976 11.761 3.687 1.00 0.00 O ATOM 1165 CB LYS A 860 0.529 12.505 0.896 1.00 0.00 C ATOM 1166 CG LYS A 860 0.444 13.811 0.125 1.00 0.00 C ATOM 1167 CD LYS A 860 0.173 14.987 1.049 1.00 0.00 C ATOM 1168 CE LYS A 860 1.376 15.293 1.929 1.00 0.00 C ATOM 1169 NZ LYS A 860 1.321 14.552 3.220 1.00 0.00 N ATOM 0 H LYS A 860 2.060 10.784 -0.286 1.00 0.00 H new ATOM 0 HA LYS A 860 2.507 13.043 1.546 1.00 0.00 H new ATOM 0 HB2 LYS A 860 0.118 11.703 0.282 1.00 0.00 H new ATOM 0 HB3 LYS A 860 -0.096 12.577 1.786 1.00 0.00 H new ATOM 0 HG2 LYS A 860 1.377 13.978 -0.414 1.00 0.00 H new ATOM 0 HG3 LYS A 860 -0.348 13.743 -0.621 1.00 0.00 H new ATOM 0 HD2 LYS A 860 -0.079 15.866 0.456 1.00 0.00 H new ATOM 0 HD3 LYS A 860 -0.691 14.767 1.676 1.00 0.00 H new ATOM 0 HE2 LYS A 860 2.291 15.030 1.398 1.00 0.00 H new ATOM 0 HE3 LYS A 860 1.419 16.364 2.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 860 1.344 15.228 4.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 860 0.442 13.998 3.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 860 2.138 13.912 3.288 1.00 0.00 H new ATOM 1183 N MET A 861 1.811 9.949 2.363 1.00 0.00 N ATOM 1184 CA MET A 861 1.767 9.006 3.474 1.00 0.00 C ATOM 1185 C MET A 861 3.172 8.696 3.981 1.00 0.00 C ATOM 1186 O MET A 861 3.469 8.873 5.162 1.00 0.00 O ATOM 1187 CB MET A 861 1.070 7.713 3.045 1.00 0.00 C ATOM 1188 CG MET A 861 -0.446 7.813 3.040 1.00 0.00 C ATOM 1189 SD MET A 861 -1.249 6.204 3.182 1.00 0.00 S ATOM 1190 CE MET A 861 -2.621 6.604 4.260 1.00 0.00 C ATOM 0 H MET A 861 1.757 9.517 1.441 1.00 0.00 H new ATOM 0 HA MET A 861 1.201 9.464 4.285 1.00 0.00 H new ATOM 0 HB2 MET A 861 1.411 7.440 2.046 1.00 0.00 H new ATOM 0 HB3 MET A 861 1.371 6.908 3.716 1.00 0.00 H new ATOM 0 HG2 MET A 861 -0.767 8.449 3.865 1.00 0.00 H new ATOM 0 HG3 MET A 861 -0.771 8.297 2.119 1.00 0.00 H new ATOM 0 HE1 MET A 861 -3.008 5.690 4.711 1.00 0.00 H new ATOM 0 HE2 MET A 861 -2.282 7.281 5.044 1.00 0.00 H new ATOM 0 HE3 MET A 861 -3.410 7.085 3.682 1.00 0.00 H new ATOM 1200 N ASP A 862 4.032 8.233 3.080 1.00 0.00 N ATOM 1201 CA ASP A 862 5.406 7.900 3.437 1.00 0.00 C ATOM 1202 C ASP A 862 5.934 8.845 4.512 1.00 0.00 C ATOM 1203 O ASP A 862 6.100 10.041 4.275 1.00 0.00 O ATOM 1204 CB ASP A 862 6.306 7.962 2.201 1.00 0.00 C ATOM 1205 CG ASP A 862 6.732 9.377 1.865 1.00 0.00 C ATOM 1206 OD1 ASP A 862 5.893 10.140 1.341 1.00 0.00 O ATOM 1207 OD2 ASP A 862 7.904 9.722 2.125 1.00 0.00 O ATOM 0 H ASP A 862 3.802 8.080 2.098 1.00 0.00 H new ATOM 0 HA ASP A 862 5.415 6.885 3.834 1.00 0.00 H new ATOM 0 HB2 ASP A 862 7.192 7.349 2.369 1.00 0.00 H new ATOM 0 HB3 ASP A 862 5.778 7.533 1.349 1.00 0.00 H new ATOM 1212 N GLY A 863 6.194 8.300 5.697 1.00 0.00 N ATOM 1213 CA GLY A 863 6.698 9.108 6.791 1.00 0.00 C ATOM 1214 C GLY A 863 5.622 9.975 7.415 1.00 0.00 C ATOM 1215 O GLY A 863 5.847 11.153 7.691 1.00 0.00 O ATOM 0 H GLY A 863 6.064 7.313 5.918 1.00 0.00 H new ATOM 0 HA2 GLY A 863 7.123 8.456 7.554 1.00 0.00 H new ATOM 0 HA3 GLY A 863 7.506 9.743 6.428 1.00 0.00 H new ATOM 1219 N MET A 864 4.449 9.391 7.637 1.00 0.00 N ATOM 1220 CA MET A 864 3.334 10.118 8.232 1.00 0.00 C ATOM 1221 C MET A 864 3.085 9.656 9.664 1.00 0.00 C ATOM 1222 O MET A 864 3.409 8.524 10.027 1.00 0.00 O ATOM 1223 CB MET A 864 2.067 9.927 7.395 1.00 0.00 C ATOM 1224 CG MET A 864 1.589 8.486 7.337 1.00 0.00 C ATOM 1225 SD MET A 864 0.108 8.286 6.328 1.00 0.00 S ATOM 1226 CE MET A 864 -1.143 8.944 7.428 1.00 0.00 C ATOM 0 H MET A 864 4.246 8.417 7.414 1.00 0.00 H new ATOM 0 HA MET A 864 3.593 11.177 8.250 1.00 0.00 H new ATOM 0 HB2 MET A 864 1.272 10.549 7.807 1.00 0.00 H new ATOM 0 HB3 MET A 864 2.255 10.280 6.381 1.00 0.00 H new ATOM 0 HG2 MET A 864 2.385 7.859 6.935 1.00 0.00 H new ATOM 0 HG3 MET A 864 1.385 8.134 8.348 1.00 0.00 H new ATOM 0 HE1 MET A 864 -1.954 8.223 7.529 1.00 0.00 H new ATOM 0 HE2 MET A 864 -0.703 9.134 8.407 1.00 0.00 H new ATOM 0 HE3 MET A 864 -1.534 9.875 7.019 1.00 0.00 H new ATOM 1236 N THR A 865 2.508 10.537 10.475 1.00 0.00 N ATOM 1237 CA THR A 865 2.217 10.219 11.867 1.00 0.00 C ATOM 1238 C THR A 865 0.767 9.782 12.040 1.00 0.00 C ATOM 1239 O THR A 865 -0.147 10.402 11.496 1.00 0.00 O ATOM 1240 CB THR A 865 2.491 11.424 12.787 1.00 0.00 C ATOM 1241 OG1 THR A 865 3.750 12.019 12.453 1.00 0.00 O ATOM 1242 CG2 THR A 865 2.497 10.999 14.248 1.00 0.00 C ATOM 0 H THR A 865 2.233 11.477 10.191 1.00 0.00 H new ATOM 0 HA THR A 865 2.877 9.398 12.148 1.00 0.00 H new ATOM 0 HB THR A 865 1.695 12.154 12.640 1.00 0.00 H new ATOM 0 HG1 THR A 865 3.916 12.785 13.041 1.00 0.00 H new ATOM 0 HG21 THR A 865 2.692 11.866 14.878 1.00 0.00 H new ATOM 0 HG22 THR A 865 1.528 10.573 14.507 1.00 0.00 H new ATOM 0 HG23 THR A 865 3.275 10.253 14.407 1.00 0.00 H new ATOM 1250 N ILE A 866 0.564 8.712 12.801 1.00 0.00 N ATOM 1251 CA ILE A 866 -0.776 8.193 13.047 1.00 0.00 C ATOM 1252 C ILE A 866 -0.904 7.651 14.466 1.00 0.00 C ATOM 1253 O ILE A 866 -0.171 6.746 14.866 1.00 0.00 O ATOM 1254 CB ILE A 866 -1.140 7.078 12.048 1.00 0.00 C ATOM 1255 CG1 ILE A 866 -1.072 7.606 10.614 1.00 0.00 C ATOM 1256 CG2 ILE A 866 -2.526 6.528 12.351 1.00 0.00 C ATOM 1257 CD1 ILE A 866 -0.998 6.513 9.571 1.00 0.00 C ATOM 0 H ILE A 866 1.310 8.188 13.258 1.00 0.00 H new ATOM 0 HA ILE A 866 -1.466 9.026 12.916 1.00 0.00 H new ATOM 0 HB ILE A 866 -0.418 6.268 12.151 1.00 0.00 H new ATOM 0 HG12 ILE A 866 -1.950 8.223 10.421 1.00 0.00 H new ATOM 0 HG13 ILE A 866 -0.200 8.252 10.514 1.00 0.00 H new ATOM 0 HG21 ILE A 866 -2.769 5.741 11.637 1.00 0.00 H new ATOM 0 HG22 ILE A 866 -2.542 6.119 13.361 1.00 0.00 H new ATOM 0 HG23 ILE A 866 -3.261 7.329 12.272 1.00 0.00 H new ATOM 0 HD11 ILE A 866 -0.952 6.960 8.578 1.00 0.00 H new ATOM 0 HD12 ILE A 866 -0.106 5.910 9.739 1.00 0.00 H new ATOM 0 HD13 ILE A 866 -1.883 5.880 9.644 1.00 0.00 H new ATOM 1269 N LYS A 867 -1.842 8.209 15.224 1.00 0.00 N ATOM 1270 CA LYS A 867 -2.070 7.780 16.599 1.00 0.00 C ATOM 1271 C LYS A 867 -0.759 7.730 17.378 1.00 0.00 C ATOM 1272 O LYS A 867 -0.544 6.831 18.190 1.00 0.00 O ATOM 1273 CB LYS A 867 -2.742 6.406 16.622 1.00 0.00 C ATOM 1274 CG LYS A 867 -4.092 6.377 15.926 1.00 0.00 C ATOM 1275 CD LYS A 867 -5.187 6.946 16.812 1.00 0.00 C ATOM 1276 CE LYS A 867 -6.447 7.248 16.015 1.00 0.00 C ATOM 1277 NZ LYS A 867 -7.441 8.014 16.818 1.00 0.00 N ATOM 0 H LYS A 867 -2.457 8.960 14.909 1.00 0.00 H new ATOM 0 HA LYS A 867 -2.728 8.507 17.075 1.00 0.00 H new ATOM 0 HB2 LYS A 867 -2.082 5.680 16.147 1.00 0.00 H new ATOM 0 HB3 LYS A 867 -2.870 6.091 17.658 1.00 0.00 H new ATOM 0 HG2 LYS A 867 -4.038 6.949 15.000 1.00 0.00 H new ATOM 0 HG3 LYS A 867 -4.340 5.351 15.653 1.00 0.00 H new ATOM 0 HD2 LYS A 867 -5.419 6.237 17.607 1.00 0.00 H new ATOM 0 HD3 LYS A 867 -4.831 7.858 17.292 1.00 0.00 H new ATOM 0 HE2 LYS A 867 -6.185 7.817 15.123 1.00 0.00 H new ATOM 0 HE3 LYS A 867 -6.896 6.314 15.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 867 -8.285 8.200 16.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 867 -7.711 7.461 17.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 867 -7.022 8.917 17.119 1.00 0.00 H new ATOM 1291 N GLU A 868 0.112 8.702 17.125 1.00 0.00 N ATOM 1292 CA GLU A 868 1.401 8.767 17.804 1.00 0.00 C ATOM 1293 C GLU A 868 2.317 7.638 17.341 1.00 0.00 C ATOM 1294 O GLU A 868 2.910 6.933 18.156 1.00 0.00 O ATOM 1295 CB GLU A 868 1.208 8.694 19.320 1.00 0.00 C ATOM 1296 CG GLU A 868 2.275 9.438 20.106 1.00 0.00 C ATOM 1297 CD GLU A 868 1.780 9.910 21.459 1.00 0.00 C ATOM 1298 OE1 GLU A 868 1.826 9.111 22.418 1.00 0.00 O ATOM 1299 OE2 GLU A 868 1.346 11.076 21.559 1.00 0.00 O ATOM 0 H GLU A 868 -0.051 9.454 16.456 1.00 0.00 H new ATOM 0 HA GLU A 868 1.869 9.718 17.550 1.00 0.00 H new ATOM 0 HB2 GLU A 868 0.230 9.104 19.573 1.00 0.00 H new ATOM 0 HB3 GLU A 868 1.205 7.648 19.628 1.00 0.00 H new ATOM 0 HG2 GLU A 868 3.138 8.787 20.246 1.00 0.00 H new ATOM 0 HG3 GLU A 868 2.614 10.297 19.527 1.00 0.00 H new ATOM 1306 N ASN A 869 2.427 7.474 16.027 1.00 0.00 N ATOM 1307 CA ASN A 869 3.270 6.430 15.455 1.00 0.00 C ATOM 1308 C ASN A 869 3.582 6.724 13.991 1.00 0.00 C ATOM 1309 O ASN A 869 2.698 6.673 13.135 1.00 0.00 O ATOM 1310 CB ASN A 869 2.584 5.067 15.577 1.00 0.00 C ATOM 1311 CG ASN A 869 3.555 3.915 15.409 1.00 0.00 C ATOM 1312 OD1 ASN A 869 4.283 3.841 14.419 1.00 0.00 O ATOM 1313 ND2 ASN A 869 3.569 3.007 16.378 1.00 0.00 N ATOM 0 H ASN A 869 1.943 8.050 15.338 1.00 0.00 H new ATOM 0 HA ASN A 869 4.207 6.409 16.011 1.00 0.00 H new ATOM 0 HB2 ASN A 869 2.101 4.992 16.551 1.00 0.00 H new ATOM 0 HB3 ASN A 869 1.799 4.990 14.825 1.00 0.00 H new ATOM 0 HD21 ASN A 869 4.201 2.208 16.319 1.00 0.00 H new ATOM 0 HD22 ASN A 869 2.948 3.108 17.181 1.00 0.00 H new ATOM 1320 N ILE A 870 4.844 7.032 13.711 1.00 0.00 N ATOM 1321 CA ILE A 870 5.273 7.333 12.351 1.00 0.00 C ATOM 1322 C ILE A 870 5.314 6.071 11.495 1.00 0.00 C ATOM 1323 O ILE A 870 6.073 5.143 11.776 1.00 0.00 O ATOM 1324 CB ILE A 870 6.662 7.997 12.333 1.00 0.00 C ATOM 1325 CG1 ILE A 870 6.546 9.483 12.675 1.00 0.00 C ATOM 1326 CG2 ILE A 870 7.320 7.811 10.973 1.00 0.00 C ATOM 1327 CD1 ILE A 870 7.705 10.313 12.170 1.00 0.00 C ATOM 0 H ILE A 870 5.587 7.080 14.408 1.00 0.00 H new ATOM 0 HA ILE A 870 4.542 8.027 11.936 1.00 0.00 H new ATOM 0 HB ILE A 870 7.287 7.518 13.087 1.00 0.00 H new ATOM 0 HG12 ILE A 870 5.620 9.873 12.253 1.00 0.00 H new ATOM 0 HG13 ILE A 870 6.475 9.594 13.757 1.00 0.00 H new ATOM 0 HG21 ILE A 870 8.301 8.286 10.976 1.00 0.00 H new ATOM 0 HG22 ILE A 870 7.432 6.747 10.766 1.00 0.00 H new ATOM 0 HG23 ILE A 870 6.698 8.267 10.203 1.00 0.00 H new ATOM 0 HD11 ILE A 870 7.555 11.356 12.449 1.00 0.00 H new ATOM 0 HD12 ILE A 870 8.633 9.949 12.612 1.00 0.00 H new ATOM 0 HD13 ILE A 870 7.764 10.233 11.085 1.00 0.00 H new ATOM 1339 N ILE A 871 4.493 6.044 10.451 1.00 0.00 N ATOM 1340 CA ILE A 871 4.437 4.897 9.553 1.00 0.00 C ATOM 1341 C ILE A 871 5.047 5.232 8.196 1.00 0.00 C ATOM 1342 O ILE A 871 4.983 6.373 7.738 1.00 0.00 O ATOM 1343 CB ILE A 871 2.990 4.413 9.347 1.00 0.00 C ATOM 1344 CG1 ILE A 871 2.238 5.365 8.415 1.00 0.00 C ATOM 1345 CG2 ILE A 871 2.275 4.298 10.685 1.00 0.00 C ATOM 1346 CD1 ILE A 871 2.546 5.145 6.951 1.00 0.00 C ATOM 0 H ILE A 871 3.857 6.803 10.206 1.00 0.00 H new ATOM 0 HA ILE A 871 5.014 4.100 10.022 1.00 0.00 H new ATOM 0 HB ILE A 871 3.015 3.426 8.884 1.00 0.00 H new ATOM 0 HG12 ILE A 871 1.166 5.246 8.574 1.00 0.00 H new ATOM 0 HG13 ILE A 871 2.487 6.392 8.680 1.00 0.00 H new ATOM 0 HG21 ILE A 871 1.253 3.955 10.523 1.00 0.00 H new ATOM 0 HG22 ILE A 871 2.801 3.584 11.319 1.00 0.00 H new ATOM 0 HG23 ILE A 871 2.257 5.272 11.173 1.00 0.00 H new ATOM 0 HD11 ILE A 871 1.978 5.854 6.349 1.00 0.00 H new ATOM 0 HD12 ILE A 871 3.612 5.293 6.777 1.00 0.00 H new ATOM 0 HD13 ILE A 871 2.270 4.129 6.670 1.00 0.00 H new ATOM 1358 N LYS A 872 5.638 4.229 7.555 1.00 0.00 N ATOM 1359 CA LYS A 872 6.257 4.414 6.248 1.00 0.00 C ATOM 1360 C LYS A 872 5.421 3.760 5.152 1.00 0.00 C ATOM 1361 O LYS A 872 4.599 2.885 5.423 1.00 0.00 O ATOM 1362 CB LYS A 872 7.671 3.829 6.243 1.00 0.00 C ATOM 1363 CG LYS A 872 8.566 4.411 5.163 1.00 0.00 C ATOM 1364 CD LYS A 872 10.033 4.136 5.447 1.00 0.00 C ATOM 1365 CE LYS A 872 10.856 4.123 4.167 1.00 0.00 C ATOM 1366 NZ LYS A 872 10.840 2.786 3.512 1.00 0.00 N ATOM 0 H LYS A 872 5.701 3.279 7.920 1.00 0.00 H new ATOM 0 HA LYS A 872 6.312 5.484 6.048 1.00 0.00 H new ATOM 0 HB2 LYS A 872 8.130 4.002 7.216 1.00 0.00 H new ATOM 0 HB3 LYS A 872 7.608 2.749 6.108 1.00 0.00 H new ATOM 0 HG2 LYS A 872 8.296 3.986 4.197 1.00 0.00 H new ATOM 0 HG3 LYS A 872 8.403 5.487 5.095 1.00 0.00 H new ATOM 0 HD2 LYS A 872 10.423 4.897 6.124 1.00 0.00 H new ATOM 0 HD3 LYS A 872 10.133 3.177 5.955 1.00 0.00 H new ATOM 0 HE2 LYS A 872 10.466 4.871 3.476 1.00 0.00 H new ATOM 0 HE3 LYS A 872 11.884 4.404 4.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 872 11.412 2.818 2.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 872 11.236 2.077 4.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 872 9.861 2.528 3.273 1.00 0.00 H new ATOM 1380 N VAL A 873 5.636 4.191 3.913 1.00 0.00 N ATOM 1381 CA VAL A 873 4.905 3.645 2.776 1.00 0.00 C ATOM 1382 C VAL A 873 5.826 3.431 1.581 1.00 0.00 C ATOM 1383 O VAL A 873 6.872 4.071 1.468 1.00 0.00 O ATOM 1384 CB VAL A 873 3.746 4.570 2.358 1.00 0.00 C ATOM 1385 CG1 VAL A 873 2.905 3.916 1.273 1.00 0.00 C ATOM 1386 CG2 VAL A 873 2.891 4.931 3.563 1.00 0.00 C ATOM 0 H VAL A 873 6.311 4.917 3.671 1.00 0.00 H new ATOM 0 HA VAL A 873 4.498 2.685 3.093 1.00 0.00 H new ATOM 0 HB VAL A 873 4.167 5.490 1.952 1.00 0.00 H new ATOM 0 HG11 VAL A 873 2.091 4.584 0.991 1.00 0.00 H new ATOM 0 HG12 VAL A 873 3.528 3.715 0.402 1.00 0.00 H new ATOM 0 HG13 VAL A 873 2.492 2.980 1.648 1.00 0.00 H new ATOM 0 HG21 VAL A 873 2.077 5.585 3.249 1.00 0.00 H new ATOM 0 HG22 VAL A 873 2.478 4.023 4.001 1.00 0.00 H new ATOM 0 HG23 VAL A 873 3.504 5.445 4.303 1.00 0.00 H new ATOM 1396 N ALA A 874 5.431 2.527 0.691 1.00 0.00 N ATOM 1397 CA ALA A 874 6.221 2.230 -0.498 1.00 0.00 C ATOM 1398 C ALA A 874 5.380 1.516 -1.551 1.00 0.00 C ATOM 1399 O ALA A 874 4.390 0.859 -1.227 1.00 0.00 O ATOM 1400 CB ALA A 874 7.434 1.389 -0.130 1.00 0.00 C ATOM 0 H ALA A 874 4.569 1.988 0.770 1.00 0.00 H new ATOM 0 HA ALA A 874 6.563 3.174 -0.922 1.00 0.00 H new ATOM 0 HB1 ALA A 874 8.014 1.175 -1.028 1.00 0.00 H new ATOM 0 HB2 ALA A 874 8.054 1.936 0.581 1.00 0.00 H new ATOM 0 HB3 ALA A 874 7.104 0.453 0.321 1.00 0.00 H new ATOM 1406 N ILE A 875 5.780 1.650 -2.811 1.00 0.00 N ATOM 1407 CA ILE A 875 5.063 1.016 -3.911 1.00 0.00 C ATOM 1408 C ILE A 875 4.996 -0.496 -3.726 1.00 0.00 C ATOM 1409 O ILE A 875 6.022 -1.159 -3.579 1.00 0.00 O ATOM 1410 CB ILE A 875 5.723 1.327 -5.267 1.00 0.00 C ATOM 1411 CG1 ILE A 875 5.909 2.837 -5.435 1.00 0.00 C ATOM 1412 CG2 ILE A 875 4.888 0.761 -6.405 1.00 0.00 C ATOM 1413 CD1 ILE A 875 4.606 3.604 -5.485 1.00 0.00 C ATOM 0 H ILE A 875 6.596 2.192 -3.096 1.00 0.00 H new ATOM 0 HA ILE A 875 4.053 1.425 -3.905 1.00 0.00 H new ATOM 0 HB ILE A 875 6.705 0.854 -5.293 1.00 0.00 H new ATOM 0 HG12 ILE A 875 6.512 3.215 -4.609 1.00 0.00 H new ATOM 0 HG13 ILE A 875 6.468 3.026 -6.351 1.00 0.00 H new ATOM 0 HG21 ILE A 875 5.368 0.989 -7.357 1.00 0.00 H new ATOM 0 HG22 ILE A 875 4.803 -0.320 -6.291 1.00 0.00 H new ATOM 0 HG23 ILE A 875 3.894 1.207 -6.384 1.00 0.00 H new ATOM 0 HD11 ILE A 875 4.814 4.667 -5.605 1.00 0.00 H new ATOM 0 HD12 ILE A 875 4.010 3.253 -6.327 1.00 0.00 H new ATOM 0 HD13 ILE A 875 4.054 3.445 -4.559 1.00 0.00 H new ATOM 1425 N SER A 876 3.781 -1.034 -3.735 1.00 0.00 N ATOM 1426 CA SER A 876 3.579 -2.469 -3.565 1.00 0.00 C ATOM 1427 C SER A 876 4.711 -3.257 -4.217 1.00 0.00 C ATOM 1428 O SER A 876 4.951 -3.141 -5.418 1.00 0.00 O ATOM 1429 CB SER A 876 2.237 -2.891 -4.166 1.00 0.00 C ATOM 1430 OG SER A 876 2.142 -4.301 -4.261 1.00 0.00 O ATOM 0 H SER A 876 2.922 -0.499 -3.858 1.00 0.00 H new ATOM 0 HA SER A 876 3.575 -2.687 -2.497 1.00 0.00 H new ATOM 0 HB2 SER A 876 1.423 -2.509 -3.550 1.00 0.00 H new ATOM 0 HB3 SER A 876 2.123 -2.448 -5.155 1.00 0.00 H new ATOM 0 HG SER A 876 1.200 -4.561 -4.335 1.00 0.00 H new