USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 465 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 483 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 486 THR OG1 : rot -170:sc= 0.52 USER MOD Set 2.1: A 460 CYS SG : rot 131:sc= 1.08 USER MOD Set 2.2: A 469 CYS SG : rot 119:sc= 1.59 USER MOD Set 2.3: A 471 ASN : amide:sc= -0.148 K(o=2.2,f=-3.4!) USER MOD Set 2.4: A 475 CYS SG : rot 141:sc= -0.2 USER MOD Set 2.5: A 479 HIS : no HD1:sc= -0.152 X(o=2.2,f=2.3) USER MOD Set 3.1: A 466 THR OG1 : rot 118:sc= 0.213 USER MOD Set 3.2: A 468 ASN : amide:sc= 0.218 K(o=0.43,f=-1.6!) USER MOD Set 4.1: A 437 CYS SG : rot 115:sc= 1.73 USER MOD Set 4.2: A 445 CYS SG : rot -91:sc= 0.819 USER MOD Set 4.3: A 451 CYS SG : rot -163:sc= 1.75 USER MOD Set 4.4: A 455 HIS : no HE2:sc= -0.896 K(o=3.4,f=-3.6!) USER MOD Single : A 433 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0771) USER MOD Single : A 438 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 440 TYR OH : rot -144:sc= 0.328 USER MOD Single : A 442 THR OG1 : rot -31:sc= 0.377 USER MOD Single : A 450 ASN : amide:sc= -2.22 K(o=-2.2,f=-1.2) USER MOD Single : A 453 TYR OH : rot 180:sc= 0 USER MOD Single : A 454 MET CE :methyl 174:sc= -1.36 (180deg=-1.46) USER MOD Single : A 461 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 463 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 HIS : no HD1:sc= -3.17! C(o=-3.2!,f=-3.3!) USER MOD Single : A 465 THR OG1 : rot -38:sc= 0.796 USER MOD Single : A 476 MET CE :methyl 164:sc= -4.38! (180deg=-6.16!) USER MOD Single : A 478 SER OG : rot 73:sc= 0.282 USER MOD Single : A 492 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 493 MET CE :methyl 145:sc= -0.657 (180deg=-2.65!) USER MOD ----------------------------------------------------------------- ATOM 136 N LYS A 433 9.749 -10.411 -11.390 1.00 0.00 N ATOM 137 CA LYS A 433 10.148 -9.059 -11.019 1.00 0.00 C ATOM 138 C LYS A 433 10.100 -8.873 -9.506 1.00 0.00 C ATOM 139 O LYS A 433 9.477 -9.660 -8.794 1.00 0.00 O ATOM 140 CB LYS A 433 9.239 -8.032 -11.699 1.00 0.00 C ATOM 141 CG LYS A 433 9.692 -7.650 -13.097 1.00 0.00 C ATOM 142 CD LYS A 433 9.252 -6.241 -13.460 1.00 0.00 C ATOM 143 CE LYS A 433 9.988 -5.726 -14.687 1.00 0.00 C ATOM 144 NZ LYS A 433 11.401 -5.369 -14.377 1.00 0.00 N ATOM 0 HA LYS A 433 11.174 -8.905 -11.354 1.00 0.00 H new ATOM 0 HB2 LYS A 433 8.227 -8.433 -11.751 1.00 0.00 H new ATOM 0 HB3 LYS A 433 9.195 -7.134 -11.083 1.00 0.00 H new ATOM 0 HG2 LYS A 433 10.778 -7.721 -13.161 1.00 0.00 H new ATOM 0 HG3 LYS A 433 9.283 -8.357 -13.819 1.00 0.00 H new ATOM 0 HD2 LYS A 433 8.178 -6.231 -13.648 1.00 0.00 H new ATOM 0 HD3 LYS A 433 9.435 -5.573 -12.618 1.00 0.00 H new ATOM 0 HE2 LYS A 433 9.968 -6.486 -15.468 1.00 0.00 H new ATOM 0 HE3 LYS A 433 9.470 -4.851 -15.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 11.813 -4.853 -15.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 11.429 -4.769 -13.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 11.949 -6.236 -14.206 1.00 0.00 H new ATOM 158 N ARG A 434 10.760 -7.825 -9.022 1.00 0.00 N ATOM 159 CA ARG A 434 10.792 -7.536 -7.593 1.00 0.00 C ATOM 160 C ARG A 434 10.207 -6.157 -7.304 1.00 0.00 C ATOM 161 O ARG A 434 10.802 -5.360 -6.581 1.00 0.00 O ATOM 162 CB ARG A 434 12.226 -7.614 -7.067 1.00 0.00 C ATOM 163 CG ARG A 434 12.614 -8.993 -6.558 1.00 0.00 C ATOM 164 CD ARG A 434 12.967 -9.930 -7.702 1.00 0.00 C ATOM 165 NE ARG A 434 13.910 -10.967 -7.290 1.00 0.00 N ATOM 166 CZ ARG A 434 15.213 -10.758 -7.141 1.00 0.00 C ATOM 167 NH1 ARG A 434 15.726 -9.557 -7.370 1.00 0.00 N ATOM 168 NH2 ARG A 434 16.007 -11.752 -6.763 1.00 0.00 N ATOM 0 H ARG A 434 11.279 -7.163 -9.598 1.00 0.00 H new ATOM 0 HA ARG A 434 10.184 -8.284 -7.083 1.00 0.00 H new ATOM 0 HB2 ARG A 434 12.912 -7.323 -7.863 1.00 0.00 H new ATOM 0 HB3 ARG A 434 12.348 -6.891 -6.261 1.00 0.00 H new ATOM 0 HG2 ARG A 434 13.464 -8.906 -5.882 1.00 0.00 H new ATOM 0 HG3 ARG A 434 11.790 -9.415 -5.982 1.00 0.00 H new ATOM 0 HD2 ARG A 434 12.058 -10.397 -8.082 1.00 0.00 H new ATOM 0 HD3 ARG A 434 13.396 -9.355 -8.522 1.00 0.00 H new ATOM 0 HE ARG A 434 13.548 -11.903 -7.107 1.00 0.00 H new ATOM 0 HH11 ARG A 434 15.119 -8.790 -7.661 1.00 0.00 H new ATOM 0 HH12 ARG A 434 16.727 -9.400 -7.255 1.00 0.00 H new ATOM 0 HH21 ARG A 434 15.617 -12.678 -6.587 1.00 0.00 H new ATOM 0 HH22 ARG A 434 17.008 -11.590 -6.649 1.00 0.00 H new ATOM 182 N GLU A 435 9.038 -5.884 -7.876 1.00 0.00 N ATOM 183 CA GLU A 435 8.375 -4.600 -7.681 1.00 0.00 C ATOM 184 C GLU A 435 6.870 -4.787 -7.504 1.00 0.00 C ATOM 185 O GLU A 435 6.296 -5.770 -7.972 1.00 0.00 O ATOM 186 CB GLU A 435 8.649 -3.673 -8.867 1.00 0.00 C ATOM 187 CG GLU A 435 8.513 -2.198 -8.530 1.00 0.00 C ATOM 188 CD GLU A 435 8.817 -1.299 -9.713 1.00 0.00 C ATOM 189 OE1 GLU A 435 9.770 -1.605 -10.460 1.00 0.00 O ATOM 190 OE2 GLU A 435 8.103 -0.291 -9.892 1.00 0.00 O ATOM 0 H GLU A 435 8.531 -6.534 -8.477 1.00 0.00 H new ATOM 0 HA GLU A 435 8.777 -4.146 -6.775 1.00 0.00 H new ATOM 0 HB2 GLU A 435 9.656 -3.861 -9.239 1.00 0.00 H new ATOM 0 HB3 GLU A 435 7.960 -3.918 -9.675 1.00 0.00 H new ATOM 0 HG2 GLU A 435 7.500 -2.001 -8.180 1.00 0.00 H new ATOM 0 HG3 GLU A 435 9.187 -1.953 -7.709 1.00 0.00 H new ATOM 197 N LEU A 436 6.238 -3.836 -6.825 1.00 0.00 N ATOM 198 CA LEU A 436 4.800 -3.895 -6.585 1.00 0.00 C ATOM 199 C LEU A 436 4.023 -3.666 -7.877 1.00 0.00 C ATOM 200 O LEU A 436 4.422 -2.863 -8.721 1.00 0.00 O ATOM 201 CB LEU A 436 4.395 -2.852 -5.541 1.00 0.00 C ATOM 202 CG LEU A 436 2.892 -2.643 -5.350 1.00 0.00 C ATOM 203 CD1 LEU A 436 2.301 -3.762 -4.507 1.00 0.00 C ATOM 204 CD2 LEU A 436 2.619 -1.290 -4.711 1.00 0.00 C ATOM 0 H LEU A 436 6.698 -3.015 -6.431 1.00 0.00 H new ATOM 0 HA LEU A 436 4.559 -4.889 -6.209 1.00 0.00 H new ATOM 0 HB2 LEU A 436 4.826 -3.140 -4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 436 4.842 -1.897 -5.818 1.00 0.00 H new ATOM 0 HG LEU A 436 2.414 -2.663 -6.329 1.00 0.00 H new ATOM 0 HD11 LEU A 436 1.231 -3.597 -4.382 1.00 0.00 H new ATOM 0 HD12 LEU A 436 2.465 -4.718 -5.005 1.00 0.00 H new ATOM 0 HD13 LEU A 436 2.783 -3.775 -3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 436 1.545 -1.158 -4.583 1.00 0.00 H new ATOM 0 HD22 LEU A 436 3.109 -1.241 -3.739 1.00 0.00 H new ATOM 0 HD23 LEU A 436 3.007 -0.499 -5.353 1.00 0.00 H new ATOM 216 N CYS A 437 2.909 -4.376 -8.025 1.00 0.00 N ATOM 217 CA CYS A 437 2.074 -4.250 -9.213 1.00 0.00 C ATOM 218 C CYS A 437 1.292 -2.940 -9.192 1.00 0.00 C ATOM 219 O CYS A 437 0.903 -2.452 -8.130 1.00 0.00 O ATOM 220 CB CYS A 437 1.107 -5.432 -9.309 1.00 0.00 C ATOM 221 SG CYS A 437 0.237 -5.552 -10.905 1.00 0.00 S ATOM 0 H CYS A 437 2.564 -5.045 -7.336 1.00 0.00 H new ATOM 0 HA CYS A 437 2.726 -4.250 -10.087 1.00 0.00 H new ATOM 0 HB2 CYS A 437 1.661 -6.355 -9.139 1.00 0.00 H new ATOM 0 HB3 CYS A 437 0.370 -5.350 -8.510 1.00 0.00 H new ATOM 0 HG CYS A 437 0.596 -6.643 -11.514 1.00 0.00 H new ATOM 226 N LYS A 438 1.067 -2.373 -10.372 1.00 0.00 N ATOM 227 CA LYS A 438 0.331 -1.120 -10.492 1.00 0.00 C ATOM 228 C LYS A 438 -1.169 -1.353 -10.341 1.00 0.00 C ATOM 229 O LYS A 438 -1.942 -0.408 -10.182 1.00 0.00 O ATOM 230 CB LYS A 438 0.621 -0.461 -11.842 1.00 0.00 C ATOM 231 CG LYS A 438 1.900 0.360 -11.856 1.00 0.00 C ATOM 232 CD LYS A 438 3.128 -0.523 -12.003 1.00 0.00 C ATOM 233 CE LYS A 438 3.699 -0.914 -10.649 1.00 0.00 C ATOM 234 NZ LYS A 438 4.525 0.175 -10.060 1.00 0.00 N ATOM 0 H LYS A 438 1.384 -2.762 -11.260 1.00 0.00 H new ATOM 0 HA LYS A 438 0.661 -0.457 -9.692 1.00 0.00 H new ATOM 0 HB2 LYS A 438 0.687 -1.234 -12.608 1.00 0.00 H new ATOM 0 HB3 LYS A 438 -0.217 0.182 -12.110 1.00 0.00 H new ATOM 0 HG2 LYS A 438 1.865 1.076 -12.677 1.00 0.00 H new ATOM 0 HG3 LYS A 438 1.974 0.936 -10.934 1.00 0.00 H new ATOM 0 HD2 LYS A 438 2.866 -1.422 -12.562 1.00 0.00 H new ATOM 0 HD3 LYS A 438 3.888 0.002 -12.582 1.00 0.00 H new ATOM 0 HE2 LYS A 438 2.884 -1.160 -9.968 1.00 0.00 H new ATOM 0 HE3 LYS A 438 4.306 -1.813 -10.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 438 4.896 -0.131 -9.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 438 5.318 0.393 -10.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 438 3.939 1.025 -9.933 1.00 0.00 H new ATOM 248 N PHE A 439 -1.575 -2.618 -10.391 1.00 0.00 N ATOM 249 CA PHE A 439 -2.982 -2.975 -10.259 1.00 0.00 C ATOM 250 C PHE A 439 -3.269 -3.557 -8.877 1.00 0.00 C ATOM 251 O PHE A 439 -4.221 -3.155 -8.208 1.00 0.00 O ATOM 252 CB PHE A 439 -3.378 -3.982 -11.340 1.00 0.00 C ATOM 253 CG PHE A 439 -3.409 -3.395 -12.723 1.00 0.00 C ATOM 254 CD1 PHE A 439 -2.283 -2.791 -13.258 1.00 0.00 C ATOM 255 CD2 PHE A 439 -4.564 -3.448 -13.487 1.00 0.00 C ATOM 256 CE1 PHE A 439 -2.309 -2.250 -14.530 1.00 0.00 C ATOM 257 CE2 PHE A 439 -4.596 -2.909 -14.759 1.00 0.00 C ATOM 258 CZ PHE A 439 -3.466 -2.310 -15.282 1.00 0.00 C ATOM 0 H PHE A 439 -0.949 -3.413 -10.522 1.00 0.00 H new ATOM 0 HA PHE A 439 -3.574 -2.068 -10.382 1.00 0.00 H new ATOM 0 HB2 PHE A 439 -2.676 -4.816 -11.323 1.00 0.00 H new ATOM 0 HB3 PHE A 439 -4.362 -4.388 -11.104 1.00 0.00 H new ATOM 0 HD1 PHE A 439 -1.375 -2.742 -12.675 1.00 0.00 H new ATOM 0 HD2 PHE A 439 -5.450 -3.916 -13.083 1.00 0.00 H new ATOM 0 HE1 PHE A 439 -1.425 -1.781 -14.936 1.00 0.00 H new ATOM 0 HE2 PHE A 439 -5.503 -2.956 -15.344 1.00 0.00 H new ATOM 0 HZ PHE A 439 -3.487 -1.890 -16.277 1.00 0.00 H new ATOM 268 N TYR A 440 -2.438 -4.505 -8.458 1.00 0.00 N ATOM 269 CA TYR A 440 -2.603 -5.145 -7.158 1.00 0.00 C ATOM 270 C TYR A 440 -2.936 -4.116 -6.082 1.00 0.00 C ATOM 271 O TYR A 440 -3.718 -4.385 -5.170 1.00 0.00 O ATOM 272 CB TYR A 440 -1.332 -5.905 -6.776 1.00 0.00 C ATOM 273 CG TYR A 440 -1.518 -6.846 -5.607 1.00 0.00 C ATOM 274 CD1 TYR A 440 -2.300 -7.988 -5.726 1.00 0.00 C ATOM 275 CD2 TYR A 440 -0.911 -6.593 -4.383 1.00 0.00 C ATOM 276 CE1 TYR A 440 -2.474 -8.850 -4.661 1.00 0.00 C ATOM 277 CE2 TYR A 440 -1.078 -7.450 -3.312 1.00 0.00 C ATOM 278 CZ TYR A 440 -1.860 -8.577 -3.456 1.00 0.00 C ATOM 279 OH TYR A 440 -2.029 -9.433 -2.392 1.00 0.00 O ATOM 0 H TYR A 440 -1.644 -4.847 -8.999 1.00 0.00 H new ATOM 0 HA TYR A 440 -3.432 -5.849 -7.231 1.00 0.00 H new ATOM 0 HB2 TYR A 440 -0.986 -6.474 -7.639 1.00 0.00 H new ATOM 0 HB3 TYR A 440 -0.549 -5.187 -6.533 1.00 0.00 H new ATOM 0 HD1 TYR A 440 -2.781 -8.206 -6.668 1.00 0.00 H new ATOM 0 HD2 TYR A 440 -0.298 -5.711 -4.267 1.00 0.00 H new ATOM 0 HE1 TYR A 440 -3.087 -9.732 -4.771 1.00 0.00 H new ATOM 0 HE2 TYR A 440 -0.599 -7.239 -2.367 1.00 0.00 H new ATOM 0 HH TYR A 440 -2.066 -8.917 -1.560 1.00 0.00 H new ATOM 289 N ILE A 441 -2.337 -2.935 -6.197 1.00 0.00 N ATOM 290 CA ILE A 441 -2.570 -1.864 -5.236 1.00 0.00 C ATOM 291 C ILE A 441 -4.039 -1.799 -4.831 1.00 0.00 C ATOM 292 O ILE A 441 -4.365 -1.520 -3.677 1.00 0.00 O ATOM 293 CB ILE A 441 -2.145 -0.497 -5.802 1.00 0.00 C ATOM 294 CG1 ILE A 441 -0.660 -0.513 -6.172 1.00 0.00 C ATOM 295 CG2 ILE A 441 -2.434 0.607 -4.796 1.00 0.00 C ATOM 296 CD1 ILE A 441 -0.226 0.688 -6.982 1.00 0.00 C ATOM 0 H ILE A 441 -1.687 -2.696 -6.946 1.00 0.00 H new ATOM 0 HA ILE A 441 -1.963 -2.090 -4.359 1.00 0.00 H new ATOM 0 HB ILE A 441 -2.723 -0.299 -6.705 1.00 0.00 H new ATOM 0 HG12 ILE A 441 -0.067 -0.559 -5.259 1.00 0.00 H new ATOM 0 HG13 ILE A 441 -0.445 -1.420 -6.738 1.00 0.00 H new ATOM 0 HG21 ILE A 441 -2.128 1.567 -5.211 1.00 0.00 H new ATOM 0 HG22 ILE A 441 -3.502 0.630 -4.578 1.00 0.00 H new ATOM 0 HG23 ILE A 441 -1.880 0.416 -3.877 1.00 0.00 H new ATOM 0 HD11 ILE A 441 0.837 0.609 -7.208 1.00 0.00 H new ATOM 0 HD12 ILE A 441 -0.793 0.724 -7.912 1.00 0.00 H new ATOM 0 HD13 ILE A 441 -0.409 1.598 -6.410 1.00 0.00 H new ATOM 308 N THR A 442 -4.923 -2.062 -5.788 1.00 0.00 N ATOM 309 CA THR A 442 -6.358 -2.034 -5.532 1.00 0.00 C ATOM 310 C THR A 442 -6.906 -3.442 -5.324 1.00 0.00 C ATOM 311 O THR A 442 -7.823 -3.650 -4.531 1.00 0.00 O ATOM 312 CB THR A 442 -7.122 -1.364 -6.689 1.00 0.00 C ATOM 313 OG1 THR A 442 -6.889 -2.076 -7.909 1.00 0.00 O ATOM 314 CG2 THR A 442 -6.692 0.086 -6.853 1.00 0.00 C ATOM 0 H THR A 442 -4.670 -2.297 -6.748 1.00 0.00 H new ATOM 0 HA THR A 442 -6.506 -1.451 -4.623 1.00 0.00 H new ATOM 0 HB THR A 442 -8.186 -1.387 -6.453 1.00 0.00 H new ATOM 0 HG1 THR A 442 -5.992 -2.471 -7.891 1.00 0.00 H new ATOM 0 HG21 THR A 442 -7.245 0.539 -7.676 1.00 0.00 H new ATOM 0 HG22 THR A 442 -6.898 0.633 -5.933 1.00 0.00 H new ATOM 0 HG23 THR A 442 -5.624 0.127 -7.068 1.00 0.00 H new ATOM 322 N GLY A 443 -6.338 -4.406 -6.043 1.00 0.00 N ATOM 323 CA GLY A 443 -6.784 -5.781 -5.922 1.00 0.00 C ATOM 324 C GLY A 443 -7.407 -6.304 -7.201 1.00 0.00 C ATOM 325 O GLY A 443 -7.688 -7.496 -7.321 1.00 0.00 O ATOM 0 H GLY A 443 -5.577 -4.259 -6.707 1.00 0.00 H new ATOM 0 HA2 GLY A 443 -5.938 -6.411 -5.650 1.00 0.00 H new ATOM 0 HA3 GLY A 443 -7.510 -5.854 -5.112 1.00 0.00 H new ATOM 329 N PHE A 444 -7.626 -5.409 -8.159 1.00 0.00 N ATOM 330 CA PHE A 444 -8.224 -5.786 -9.435 1.00 0.00 C ATOM 331 C PHE A 444 -7.151 -5.968 -10.504 1.00 0.00 C ATOM 332 O PHE A 444 -6.897 -5.067 -11.305 1.00 0.00 O ATOM 333 CB PHE A 444 -9.232 -4.726 -9.882 1.00 0.00 C ATOM 334 CG PHE A 444 -9.635 -4.853 -11.324 1.00 0.00 C ATOM 335 CD1 PHE A 444 -10.207 -6.023 -11.796 1.00 0.00 C ATOM 336 CD2 PHE A 444 -9.441 -3.802 -12.206 1.00 0.00 C ATOM 337 CE1 PHE A 444 -10.579 -6.143 -13.122 1.00 0.00 C ATOM 338 CE2 PHE A 444 -9.812 -3.917 -13.533 1.00 0.00 C ATOM 339 CZ PHE A 444 -10.380 -5.089 -13.992 1.00 0.00 C ATOM 0 H PHE A 444 -7.399 -4.418 -8.076 1.00 0.00 H new ATOM 0 HA PHE A 444 -8.742 -6.735 -9.300 1.00 0.00 H new ATOM 0 HB2 PHE A 444 -10.122 -4.796 -9.257 1.00 0.00 H new ATOM 0 HB3 PHE A 444 -8.804 -3.737 -9.718 1.00 0.00 H new ATOM 0 HD1 PHE A 444 -10.364 -6.851 -11.120 1.00 0.00 H new ATOM 0 HD2 PHE A 444 -8.995 -2.884 -11.853 1.00 0.00 H new ATOM 0 HE1 PHE A 444 -11.025 -7.060 -13.477 1.00 0.00 H new ATOM 0 HE2 PHE A 444 -9.658 -3.090 -14.211 1.00 0.00 H new ATOM 0 HZ PHE A 444 -10.668 -5.181 -15.029 1.00 0.00 H new ATOM 349 N CYS A 445 -6.524 -7.139 -10.511 1.00 0.00 N ATOM 350 CA CYS A 445 -5.478 -7.441 -11.481 1.00 0.00 C ATOM 351 C CYS A 445 -5.875 -8.624 -12.359 1.00 0.00 C ATOM 352 O CYS A 445 -5.761 -9.780 -11.950 1.00 0.00 O ATOM 353 CB CYS A 445 -4.160 -7.743 -10.764 1.00 0.00 C ATOM 354 SG CYS A 445 -2.752 -8.027 -11.884 1.00 0.00 S ATOM 0 H CYS A 445 -6.722 -7.895 -9.856 1.00 0.00 H new ATOM 0 HA CYS A 445 -5.345 -6.567 -12.118 1.00 0.00 H new ATOM 0 HB2 CYS A 445 -3.921 -6.912 -10.101 1.00 0.00 H new ATOM 0 HB3 CYS A 445 -4.294 -8.624 -10.136 1.00 0.00 H new ATOM 0 HG CYS A 445 -2.665 -9.295 -12.158 1.00 0.00 H new ATOM 359 N ALA A 446 -6.340 -8.327 -13.567 1.00 0.00 N ATOM 360 CA ALA A 446 -6.752 -9.366 -14.504 1.00 0.00 C ATOM 361 C ALA A 446 -5.784 -10.544 -14.478 1.00 0.00 C ATOM 362 O ALA A 446 -6.174 -11.674 -14.184 1.00 0.00 O ATOM 363 CB ALA A 446 -6.856 -8.796 -15.911 1.00 0.00 C ATOM 0 H ALA A 446 -6.441 -7.376 -13.921 1.00 0.00 H new ATOM 0 HA ALA A 446 -7.733 -9.729 -14.198 1.00 0.00 H new ATOM 0 HB1 ALA A 446 -7.164 -9.582 -16.600 1.00 0.00 H new ATOM 0 HB2 ALA A 446 -7.592 -7.992 -15.924 1.00 0.00 H new ATOM 0 HB3 ALA A 446 -5.886 -8.405 -16.218 1.00 0.00 H new ATOM 369 N ARG A 447 -4.520 -10.272 -14.788 1.00 0.00 N ATOM 370 CA ARG A 447 -3.497 -11.310 -14.802 1.00 0.00 C ATOM 371 C ARG A 447 -3.106 -11.707 -13.381 1.00 0.00 C ATOM 372 O ARG A 447 -2.271 -11.058 -12.752 1.00 0.00 O ATOM 373 CB ARG A 447 -2.262 -10.829 -15.566 1.00 0.00 C ATOM 374 CG ARG A 447 -2.397 -10.947 -17.076 1.00 0.00 C ATOM 375 CD ARG A 447 -1.070 -10.694 -17.775 1.00 0.00 C ATOM 376 NE ARG A 447 -1.239 -10.488 -19.211 1.00 0.00 N ATOM 377 CZ ARG A 447 -0.254 -10.115 -20.020 1.00 0.00 C ATOM 378 NH1 ARG A 447 0.963 -9.907 -19.537 1.00 0.00 N ATOM 379 NH2 ARG A 447 -0.485 -9.948 -21.316 1.00 0.00 N ATOM 0 H ARG A 447 -4.181 -9.342 -15.033 1.00 0.00 H new ATOM 0 HA ARG A 447 -3.909 -12.184 -15.305 1.00 0.00 H new ATOM 0 HB2 ARG A 447 -2.067 -9.788 -15.307 1.00 0.00 H new ATOM 0 HB3 ARG A 447 -1.396 -11.406 -15.241 1.00 0.00 H new ATOM 0 HG2 ARG A 447 -2.761 -11.942 -17.333 1.00 0.00 H new ATOM 0 HG3 ARG A 447 -3.140 -10.233 -17.433 1.00 0.00 H new ATOM 0 HD2 ARG A 447 -0.591 -9.819 -17.337 1.00 0.00 H new ATOM 0 HD3 ARG A 447 -0.404 -11.540 -17.606 1.00 0.00 H new ATOM 0 HE ARG A 447 -2.164 -10.639 -19.614 1.00 0.00 H new ATOM 0 HH11 ARG A 447 1.145 -10.033 -18.541 1.00 0.00 H new ATOM 0 HH12 ARG A 447 1.717 -9.621 -20.161 1.00 0.00 H new ATOM 0 HH21 ARG A 447 -1.420 -10.106 -21.692 1.00 0.00 H new ATOM 0 HH22 ARG A 447 0.272 -9.661 -21.936 1.00 0.00 H new ATOM 393 N ALA A 448 -3.716 -12.777 -12.882 1.00 0.00 N ATOM 394 CA ALA A 448 -3.430 -13.262 -11.537 1.00 0.00 C ATOM 395 C ALA A 448 -2.146 -14.083 -11.510 1.00 0.00 C ATOM 396 O ALA A 448 -1.104 -13.606 -11.061 1.00 0.00 O ATOM 397 CB ALA A 448 -4.597 -14.086 -11.014 1.00 0.00 C ATOM 0 H ALA A 448 -4.411 -13.325 -13.389 1.00 0.00 H new ATOM 0 HA ALA A 448 -3.290 -12.397 -10.888 1.00 0.00 H new ATOM 0 HB1 ALA A 448 -4.370 -14.442 -10.009 1.00 0.00 H new ATOM 0 HB2 ALA A 448 -5.495 -13.469 -10.986 1.00 0.00 H new ATOM 0 HB3 ALA A 448 -4.764 -14.939 -11.672 1.00 0.00 H new ATOM 403 N GLU A 449 -2.228 -15.319 -11.993 1.00 0.00 N ATOM 404 CA GLU A 449 -1.071 -16.206 -12.022 1.00 0.00 C ATOM 405 C GLU A 449 -0.187 -15.907 -13.230 1.00 0.00 C ATOM 406 O GLU A 449 0.609 -16.745 -13.651 1.00 0.00 O ATOM 407 CB GLU A 449 -1.522 -17.667 -12.055 1.00 0.00 C ATOM 408 CG GLU A 449 -2.276 -18.044 -13.319 1.00 0.00 C ATOM 409 CD GLU A 449 -3.139 -19.277 -13.139 1.00 0.00 C ATOM 410 OE1 GLU A 449 -2.798 -20.119 -12.281 1.00 0.00 O ATOM 411 OE2 GLU A 449 -4.155 -19.401 -13.854 1.00 0.00 O ATOM 0 H GLU A 449 -3.083 -15.728 -12.369 1.00 0.00 H new ATOM 0 HA GLU A 449 -0.489 -16.033 -11.116 1.00 0.00 H new ATOM 0 HB2 GLU A 449 -0.647 -18.310 -11.958 1.00 0.00 H new ATOM 0 HB3 GLU A 449 -2.158 -17.862 -11.191 1.00 0.00 H new ATOM 0 HG2 GLU A 449 -2.904 -17.208 -13.626 1.00 0.00 H new ATOM 0 HG3 GLU A 449 -1.563 -18.219 -14.124 1.00 0.00 H new ATOM 418 N ASN A 450 -0.336 -14.708 -13.782 1.00 0.00 N ATOM 419 CA ASN A 450 0.448 -14.298 -14.942 1.00 0.00 C ATOM 420 C ASN A 450 1.187 -12.992 -14.666 1.00 0.00 C ATOM 421 O ASN A 450 1.924 -12.492 -15.516 1.00 0.00 O ATOM 422 CB ASN A 450 -0.458 -14.136 -16.164 1.00 0.00 C ATOM 423 CG ASN A 450 0.322 -14.116 -17.464 1.00 0.00 C ATOM 424 OD1 ASN A 450 1.196 -13.272 -17.663 1.00 0.00 O ATOM 425 ND2 ASN A 450 0.009 -15.047 -18.357 1.00 0.00 N ATOM 0 H ASN A 450 -0.992 -14.003 -13.445 1.00 0.00 H new ATOM 0 HA ASN A 450 1.185 -15.075 -15.144 1.00 0.00 H new ATOM 0 HB2 ASN A 450 -1.179 -14.953 -16.189 1.00 0.00 H new ATOM 0 HB3 ASN A 450 -1.027 -13.211 -16.071 1.00 0.00 H new ATOM 0 HD21 ASN A 450 0.500 -15.082 -19.250 1.00 0.00 H new ATOM 0 HD22 ASN A 450 -0.723 -15.727 -18.150 1.00 0.00 H new ATOM 432 N CYS A 451 0.984 -12.445 -13.472 1.00 0.00 N ATOM 433 CA CYS A 451 1.631 -11.198 -13.083 1.00 0.00 C ATOM 434 C CYS A 451 3.069 -11.446 -12.638 1.00 0.00 C ATOM 435 O CYS A 451 3.328 -12.051 -11.597 1.00 0.00 O ATOM 436 CB CYS A 451 0.846 -10.523 -11.956 1.00 0.00 C ATOM 437 SG CYS A 451 1.184 -8.742 -11.778 1.00 0.00 S ATOM 0 H CYS A 451 0.377 -12.846 -12.757 1.00 0.00 H new ATOM 0 HA CYS A 451 1.647 -10.540 -13.952 1.00 0.00 H new ATOM 0 HB2 CYS A 451 -0.220 -10.664 -12.135 1.00 0.00 H new ATOM 0 HB3 CYS A 451 1.079 -11.022 -11.016 1.00 0.00 H new ATOM 0 HG CYS A 451 0.766 -8.335 -10.616 1.00 0.00 H new ATOM 442 N PRO A 452 4.028 -10.969 -13.445 1.00 0.00 N ATOM 443 CA PRO A 452 5.457 -11.126 -13.155 1.00 0.00 C ATOM 444 C PRO A 452 5.903 -10.284 -11.964 1.00 0.00 C ATOM 445 O PRO A 452 7.075 -10.296 -11.588 1.00 0.00 O ATOM 446 CB PRO A 452 6.134 -10.639 -14.438 1.00 0.00 C ATOM 447 CG PRO A 452 5.152 -9.702 -15.053 1.00 0.00 C ATOM 448 CD PRO A 452 3.792 -10.238 -14.701 1.00 0.00 C ATOM 0 HA PRO A 452 5.709 -12.152 -12.887 1.00 0.00 H new ATOM 0 HB2 PRO A 452 7.078 -10.138 -14.222 1.00 0.00 H new ATOM 0 HB3 PRO A 452 6.360 -11.470 -15.106 1.00 0.00 H new ATOM 0 HG2 PRO A 452 5.284 -8.691 -14.669 1.00 0.00 H new ATOM 0 HG3 PRO A 452 5.284 -9.652 -16.134 1.00 0.00 H new ATOM 0 HD2 PRO A 452 3.066 -9.436 -14.569 1.00 0.00 H new ATOM 0 HD3 PRO A 452 3.404 -10.894 -15.481 1.00 0.00 H new ATOM 456 N TYR A 453 4.961 -9.556 -11.375 1.00 0.00 N ATOM 457 CA TYR A 453 5.258 -8.707 -10.228 1.00 0.00 C ATOM 458 C TYR A 453 4.847 -9.387 -8.926 1.00 0.00 C ATOM 459 O TYR A 453 4.267 -10.472 -8.936 1.00 0.00 O ATOM 460 CB TYR A 453 4.541 -7.362 -10.362 1.00 0.00 C ATOM 461 CG TYR A 453 5.110 -6.479 -11.450 1.00 0.00 C ATOM 462 CD1 TYR A 453 4.722 -6.639 -12.775 1.00 0.00 C ATOM 463 CD2 TYR A 453 6.034 -5.486 -11.153 1.00 0.00 C ATOM 464 CE1 TYR A 453 5.239 -5.834 -13.772 1.00 0.00 C ATOM 465 CE2 TYR A 453 6.556 -4.676 -12.144 1.00 0.00 C ATOM 466 CZ TYR A 453 6.155 -4.854 -13.451 1.00 0.00 C ATOM 467 OH TYR A 453 6.673 -4.051 -14.441 1.00 0.00 O ATOM 0 H TYR A 453 3.986 -9.537 -11.673 1.00 0.00 H new ATOM 0 HA TYR A 453 6.334 -8.536 -10.204 1.00 0.00 H new ATOM 0 HB2 TYR A 453 3.485 -7.541 -10.566 1.00 0.00 H new ATOM 0 HB3 TYR A 453 4.597 -6.834 -9.410 1.00 0.00 H new ATOM 0 HD1 TYR A 453 4.005 -7.405 -13.030 1.00 0.00 H new ATOM 0 HD2 TYR A 453 6.350 -5.344 -10.130 1.00 0.00 H new ATOM 0 HE1 TYR A 453 4.928 -5.971 -14.797 1.00 0.00 H new ATOM 0 HE2 TYR A 453 7.274 -3.908 -11.896 1.00 0.00 H new ATOM 0 HH TYR A 453 7.303 -3.412 -14.048 1.00 0.00 H new ATOM 477 N MET A 454 5.153 -8.740 -7.806 1.00 0.00 N ATOM 478 CA MET A 454 4.814 -9.281 -6.495 1.00 0.00 C ATOM 479 C MET A 454 3.433 -8.807 -6.051 1.00 0.00 C ATOM 480 O MET A 454 3.042 -7.669 -6.315 1.00 0.00 O ATOM 481 CB MET A 454 5.864 -8.867 -5.461 1.00 0.00 C ATOM 482 CG MET A 454 7.224 -9.507 -5.688 1.00 0.00 C ATOM 483 SD MET A 454 7.306 -11.200 -5.073 1.00 0.00 S ATOM 484 CE MET A 454 7.922 -10.928 -3.413 1.00 0.00 C ATOM 0 H MET A 454 5.635 -7.841 -7.780 1.00 0.00 H new ATOM 0 HA MET A 454 4.799 -10.368 -6.572 1.00 0.00 H new ATOM 0 HB2 MET A 454 5.974 -7.783 -5.480 1.00 0.00 H new ATOM 0 HB3 MET A 454 5.507 -9.133 -4.466 1.00 0.00 H new ATOM 0 HG2 MET A 454 7.451 -9.500 -6.754 1.00 0.00 H new ATOM 0 HG3 MET A 454 7.990 -8.908 -5.195 1.00 0.00 H new ATOM 0 HE1 MET A 454 7.926 -11.872 -2.867 1.00 0.00 H new ATOM 0 HE2 MET A 454 8.937 -10.533 -3.462 1.00 0.00 H new ATOM 0 HE3 MET A 454 7.279 -10.214 -2.899 1.00 0.00 H new ATOM 494 N HIS A 455 2.699 -9.686 -5.377 1.00 0.00 N ATOM 495 CA HIS A 455 1.361 -9.357 -4.897 1.00 0.00 C ATOM 496 C HIS A 455 1.284 -9.477 -3.378 1.00 0.00 C ATOM 497 O HIS A 455 1.278 -8.475 -2.665 1.00 0.00 O ATOM 498 CB HIS A 455 0.324 -10.273 -5.546 1.00 0.00 C ATOM 499 CG HIS A 455 -0.061 -9.854 -6.932 1.00 0.00 C ATOM 500 ND1 HIS A 455 -1.148 -10.376 -7.601 1.00 0.00 N ATOM 501 CD2 HIS A 455 0.502 -8.957 -7.775 1.00 0.00 C ATOM 502 CE1 HIS A 455 -1.236 -9.819 -8.796 1.00 0.00 C ATOM 503 NE2 HIS A 455 -0.246 -8.954 -8.926 1.00 0.00 N ATOM 0 H HIS A 455 3.008 -10.631 -5.151 1.00 0.00 H new ATOM 0 HA HIS A 455 1.146 -8.325 -5.173 1.00 0.00 H new ATOM 0 HB2 HIS A 455 0.718 -11.289 -5.579 1.00 0.00 H new ATOM 0 HB3 HIS A 455 -0.569 -10.297 -4.921 1.00 0.00 H new ATOM 0 HD1 HIS A 455 -1.785 -11.082 -7.231 1.00 0.00 H new ATOM 0 HD2 HIS A 455 1.377 -8.355 -7.579 1.00 0.00 H new ATOM 0 HE1 HIS A 455 -1.989 -10.034 -9.540 1.00 0.00 H new ATOM 511 N GLY A 456 1.225 -10.712 -2.889 1.00 0.00 N ATOM 512 CA GLY A 456 1.148 -10.941 -1.458 1.00 0.00 C ATOM 513 C GLY A 456 2.501 -10.838 -0.781 1.00 0.00 C ATOM 514 O GLY A 456 2.745 -9.912 -0.006 1.00 0.00 O ATOM 0 H GLY A 456 1.229 -11.558 -3.459 1.00 0.00 H new ATOM 0 HA2 GLY A 456 0.466 -10.216 -1.013 1.00 0.00 H new ATOM 0 HA3 GLY A 456 0.727 -11.929 -1.273 1.00 0.00 H new ATOM 518 N ASP A 457 3.380 -11.789 -1.072 1.00 0.00 N ATOM 519 CA ASP A 457 4.715 -11.802 -0.485 1.00 0.00 C ATOM 520 C ASP A 457 5.236 -10.382 -0.289 1.00 0.00 C ATOM 521 O ASP A 457 5.936 -10.095 0.682 1.00 0.00 O ATOM 522 CB ASP A 457 5.678 -12.594 -1.371 1.00 0.00 C ATOM 523 CG ASP A 457 5.118 -13.945 -1.771 1.00 0.00 C ATOM 524 OD1 ASP A 457 5.312 -14.917 -1.011 1.00 0.00 O ATOM 525 OD2 ASP A 457 4.485 -14.030 -2.844 1.00 0.00 O ATOM 0 H ASP A 457 3.193 -12.562 -1.711 1.00 0.00 H new ATOM 0 HA ASP A 457 4.651 -12.285 0.490 1.00 0.00 H new ATOM 0 HB2 ASP A 457 5.901 -12.016 -2.268 1.00 0.00 H new ATOM 0 HB3 ASP A 457 6.620 -12.737 -0.842 1.00 0.00 H new ATOM 530 N PHE A 458 4.891 -9.497 -1.218 1.00 0.00 N ATOM 531 CA PHE A 458 5.325 -8.106 -1.149 1.00 0.00 C ATOM 532 C PHE A 458 4.998 -7.502 0.213 1.00 0.00 C ATOM 533 O PHE A 458 3.851 -7.499 0.660 1.00 0.00 O ATOM 534 CB PHE A 458 4.660 -7.286 -2.257 1.00 0.00 C ATOM 535 CG PHE A 458 5.378 -6.004 -2.566 1.00 0.00 C ATOM 536 CD1 PHE A 458 6.525 -6.006 -3.342 1.00 0.00 C ATOM 537 CD2 PHE A 458 4.904 -4.795 -2.081 1.00 0.00 C ATOM 538 CE1 PHE A 458 7.188 -4.827 -3.628 1.00 0.00 C ATOM 539 CE2 PHE A 458 5.562 -3.613 -2.363 1.00 0.00 C ATOM 540 CZ PHE A 458 6.705 -3.629 -3.138 1.00 0.00 C ATOM 0 H PHE A 458 4.312 -9.718 -2.028 1.00 0.00 H new ATOM 0 HA PHE A 458 6.406 -8.081 -1.288 1.00 0.00 H new ATOM 0 HB2 PHE A 458 4.606 -7.890 -3.163 1.00 0.00 H new ATOM 0 HB3 PHE A 458 3.635 -7.058 -1.964 1.00 0.00 H new ATOM 0 HD1 PHE A 458 6.906 -6.940 -3.728 1.00 0.00 H new ATOM 0 HD2 PHE A 458 4.010 -4.777 -1.476 1.00 0.00 H new ATOM 0 HE1 PHE A 458 8.082 -4.843 -4.234 1.00 0.00 H new ATOM 0 HE2 PHE A 458 5.183 -2.678 -1.978 1.00 0.00 H new ATOM 0 HZ PHE A 458 7.220 -2.706 -3.361 1.00 0.00 H new ATOM 550 N PRO A 459 6.030 -6.976 0.890 1.00 0.00 N ATOM 551 CA PRO A 459 5.879 -6.359 2.211 1.00 0.00 C ATOM 552 C PRO A 459 5.120 -5.038 2.149 1.00 0.00 C ATOM 553 O PRO A 459 5.304 -4.247 1.224 1.00 0.00 O ATOM 554 CB PRO A 459 7.323 -6.125 2.661 1.00 0.00 C ATOM 555 CG PRO A 459 8.103 -6.025 1.395 1.00 0.00 C ATOM 556 CD PRO A 459 7.425 -6.944 0.417 1.00 0.00 C ATOM 0 HA PRO A 459 5.303 -6.987 2.891 1.00 0.00 H new ATOM 0 HB2 PRO A 459 7.410 -5.214 3.253 1.00 0.00 H new ATOM 0 HB3 PRO A 459 7.682 -6.945 3.283 1.00 0.00 H new ATOM 0 HG2 PRO A 459 8.115 -5.000 1.024 1.00 0.00 H new ATOM 0 HG3 PRO A 459 9.141 -6.319 1.552 1.00 0.00 H new ATOM 0 HD2 PRO A 459 7.495 -6.567 -0.603 1.00 0.00 H new ATOM 0 HD3 PRO A 459 7.874 -7.937 0.421 1.00 0.00 H new ATOM 564 N CYS A 460 4.266 -4.804 3.141 1.00 0.00 N ATOM 565 CA CYS A 460 3.479 -3.579 3.200 1.00 0.00 C ATOM 566 C CYS A 460 4.372 -2.371 3.467 1.00 0.00 C ATOM 567 O CYS A 460 5.331 -2.451 4.236 1.00 0.00 O ATOM 568 CB CYS A 460 2.410 -3.687 4.289 1.00 0.00 C ATOM 569 SG CYS A 460 1.039 -2.501 4.106 1.00 0.00 S ATOM 0 H CYS A 460 4.102 -5.448 3.915 1.00 0.00 H new ATOM 0 HA CYS A 460 2.992 -3.443 2.234 1.00 0.00 H new ATOM 0 HB2 CYS A 460 2.004 -4.699 4.285 1.00 0.00 H new ATOM 0 HB3 CYS A 460 2.880 -3.536 5.261 1.00 0.00 H new ATOM 0 HG CYS A 460 -0.095 -3.128 4.213 1.00 0.00 H new ATOM 574 N LYS A 461 4.051 -1.252 2.827 1.00 0.00 N ATOM 575 CA LYS A 461 4.822 -0.025 2.995 1.00 0.00 C ATOM 576 C LYS A 461 4.489 0.649 4.322 1.00 0.00 C ATOM 577 O LYS A 461 5.336 0.747 5.210 1.00 0.00 O ATOM 578 CB LYS A 461 4.546 0.937 1.838 1.00 0.00 C ATOM 579 CG LYS A 461 5.254 2.274 1.976 1.00 0.00 C ATOM 580 CD LYS A 461 4.872 3.226 0.856 1.00 0.00 C ATOM 581 CE LYS A 461 5.616 4.548 0.969 1.00 0.00 C ATOM 582 NZ LYS A 461 5.548 5.333 -0.294 1.00 0.00 N ATOM 0 H LYS A 461 3.262 -1.169 2.187 1.00 0.00 H new ATOM 0 HA LYS A 461 5.880 -0.287 2.997 1.00 0.00 H new ATOM 0 HB2 LYS A 461 4.854 0.467 0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 461 3.472 1.110 1.768 1.00 0.00 H new ATOM 0 HG2 LYS A 461 5.002 2.722 2.937 1.00 0.00 H new ATOM 0 HG3 LYS A 461 6.333 2.118 1.970 1.00 0.00 H new ATOM 0 HD2 LYS A 461 5.093 2.764 -0.106 1.00 0.00 H new ATOM 0 HD3 LYS A 461 3.798 3.409 0.883 1.00 0.00 H new ATOM 0 HE2 LYS A 461 5.192 5.134 1.784 1.00 0.00 H new ATOM 0 HE3 LYS A 461 6.659 4.357 1.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 6.067 6.227 -0.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 5.975 4.784 -1.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 4.554 5.537 -0.523 1.00 0.00 H new ATOM 596 N LEU A 462 3.250 1.111 4.450 1.00 0.00 N ATOM 597 CA LEU A 462 2.804 1.776 5.671 1.00 0.00 C ATOM 598 C LEU A 462 3.260 1.007 6.907 1.00 0.00 C ATOM 599 O LEU A 462 3.966 1.545 7.760 1.00 0.00 O ATOM 600 CB LEU A 462 1.281 1.911 5.673 1.00 0.00 C ATOM 601 CG LEU A 462 0.708 3.060 4.842 1.00 0.00 C ATOM 602 CD1 LEU A 462 -0.810 2.978 4.795 1.00 0.00 C ATOM 603 CD2 LEU A 462 1.154 4.401 5.407 1.00 0.00 C ATOM 0 H LEU A 462 2.537 1.038 3.725 1.00 0.00 H new ATOM 0 HA LEU A 462 3.251 2.770 5.699 1.00 0.00 H new ATOM 0 HB2 LEU A 462 0.853 0.977 5.309 1.00 0.00 H new ATOM 0 HB3 LEU A 462 0.948 2.034 6.704 1.00 0.00 H new ATOM 0 HG LEU A 462 1.088 2.973 3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 462 -1.201 3.803 4.200 1.00 0.00 H new ATOM 0 HD12 LEU A 462 -1.109 2.032 4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 462 -1.209 3.040 5.807 1.00 0.00 H new ATOM 0 HD21 LEU A 462 0.737 5.207 4.803 1.00 0.00 H new ATOM 0 HD22 LEU A 462 0.803 4.498 6.434 1.00 0.00 H new ATOM 0 HD23 LEU A 462 2.242 4.460 5.389 1.00 0.00 H new ATOM 615 N TYR A 463 2.854 -0.255 6.995 1.00 0.00 N ATOM 616 CA TYR A 463 3.221 -1.098 8.127 1.00 0.00 C ATOM 617 C TYR A 463 4.675 -0.870 8.528 1.00 0.00 C ATOM 618 O TYR A 463 5.063 -1.119 9.670 1.00 0.00 O ATOM 619 CB TYR A 463 3.000 -2.572 7.784 1.00 0.00 C ATOM 620 CG TYR A 463 3.281 -3.511 8.936 1.00 0.00 C ATOM 621 CD1 TYR A 463 2.281 -3.859 9.834 1.00 0.00 C ATOM 622 CD2 TYR A 463 4.548 -4.050 9.124 1.00 0.00 C ATOM 623 CE1 TYR A 463 2.534 -4.715 10.889 1.00 0.00 C ATOM 624 CE2 TYR A 463 4.810 -4.908 10.175 1.00 0.00 C ATOM 625 CZ TYR A 463 3.800 -5.237 11.054 1.00 0.00 C ATOM 626 OH TYR A 463 4.056 -6.092 12.102 1.00 0.00 O ATOM 0 H TYR A 463 2.271 -0.716 6.297 1.00 0.00 H new ATOM 0 HA TYR A 463 2.585 -0.828 8.970 1.00 0.00 H new ATOM 0 HB2 TYR A 463 1.969 -2.710 7.457 1.00 0.00 H new ATOM 0 HB3 TYR A 463 3.640 -2.840 6.943 1.00 0.00 H new ATOM 0 HD1 TYR A 463 1.288 -3.454 9.706 1.00 0.00 H new ATOM 0 HD2 TYR A 463 5.341 -3.794 8.437 1.00 0.00 H new ATOM 0 HE1 TYR A 463 1.745 -4.974 11.580 1.00 0.00 H new ATOM 0 HE2 TYR A 463 5.800 -5.319 10.307 1.00 0.00 H new ATOM 0 HH TYR A 463 4.995 -6.370 12.075 1.00 0.00 H new ATOM 636 N HIS A 464 5.476 -0.394 7.579 1.00 0.00 N ATOM 637 CA HIS A 464 6.888 -0.130 7.833 1.00 0.00 C ATOM 638 C HIS A 464 7.128 1.357 8.076 1.00 0.00 C ATOM 639 O HIS A 464 7.745 1.743 9.069 1.00 0.00 O ATOM 640 CB HIS A 464 7.737 -0.609 6.655 1.00 0.00 C ATOM 641 CG HIS A 464 7.988 -2.086 6.659 1.00 0.00 C ATOM 642 ND1 HIS A 464 8.400 -2.776 7.779 1.00 0.00 N ATOM 643 CD2 HIS A 464 7.880 -3.005 5.671 1.00 0.00 C ATOM 644 CE1 HIS A 464 8.537 -4.056 7.479 1.00 0.00 C ATOM 645 NE2 HIS A 464 8.227 -4.221 6.206 1.00 0.00 N ATOM 0 H HIS A 464 5.172 -0.184 6.629 1.00 0.00 H new ATOM 0 HA HIS A 464 7.179 -0.678 8.729 1.00 0.00 H new ATOM 0 HB2 HIS A 464 7.240 -0.336 5.724 1.00 0.00 H new ATOM 0 HB3 HIS A 464 8.693 -0.086 6.671 1.00 0.00 H new ATOM 0 HD2 HIS A 464 7.577 -2.817 4.652 1.00 0.00 H new ATOM 0 HE1 HIS A 464 8.849 -4.834 8.159 1.00 0.00 H new ATOM 0 HE2 HIS A 464 8.243 -5.108 5.702 1.00 0.00 H new ATOM 653 N THR A 465 6.636 2.188 7.162 1.00 0.00 N ATOM 654 CA THR A 465 6.798 3.632 7.277 1.00 0.00 C ATOM 655 C THR A 465 6.835 4.067 8.737 1.00 0.00 C ATOM 656 O THR A 465 7.624 4.933 9.119 1.00 0.00 O ATOM 657 CB THR A 465 5.663 4.384 6.557 1.00 0.00 C ATOM 658 OG1 THR A 465 4.416 4.137 7.218 1.00 0.00 O ATOM 659 CG2 THR A 465 5.565 3.952 5.102 1.00 0.00 C ATOM 0 H THR A 465 6.122 1.886 6.334 1.00 0.00 H new ATOM 0 HA THR A 465 7.747 3.882 6.803 1.00 0.00 H new ATOM 0 HB THR A 465 5.886 5.450 6.588 1.00 0.00 H new ATOM 0 HG1 THR A 465 4.387 3.207 7.525 1.00 0.00 H new ATOM 0 HG21 THR A 465 4.756 4.497 4.614 1.00 0.00 H new ATOM 0 HG22 THR A 465 6.505 4.167 4.594 1.00 0.00 H new ATOM 0 HG23 THR A 465 5.363 2.882 5.053 1.00 0.00 H new ATOM 667 N THR A 466 5.977 3.462 9.552 1.00 0.00 N ATOM 668 CA THR A 466 5.911 3.787 10.971 1.00 0.00 C ATOM 669 C THR A 466 5.888 2.524 11.825 1.00 0.00 C ATOM 670 O THR A 466 6.411 2.506 12.938 1.00 0.00 O ATOM 671 CB THR A 466 4.667 4.635 11.296 1.00 0.00 C ATOM 672 OG1 THR A 466 3.479 3.916 10.947 1.00 0.00 O ATOM 673 CG2 THR A 466 4.703 5.959 10.546 1.00 0.00 C ATOM 0 H THR A 466 5.318 2.744 9.253 1.00 0.00 H new ATOM 0 HA THR A 466 6.806 4.364 11.204 1.00 0.00 H new ATOM 0 HB THR A 466 4.665 4.842 12.366 1.00 0.00 H new ATOM 0 HG1 THR A 466 2.939 3.766 11.751 1.00 0.00 H new ATOM 0 HG21 THR A 466 3.814 6.540 10.791 1.00 0.00 H new ATOM 0 HG22 THR A 466 5.593 6.517 10.836 1.00 0.00 H new ATOM 0 HG23 THR A 466 4.727 5.769 9.473 1.00 0.00 H new ATOM 681 N GLY A 467 5.277 1.468 11.295 1.00 0.00 N ATOM 682 CA GLY A 467 5.198 0.215 12.022 1.00 0.00 C ATOM 683 C GLY A 467 3.811 -0.396 11.975 1.00 0.00 C ATOM 684 O GLY A 467 3.664 -1.616 11.939 1.00 0.00 O ATOM 0 H GLY A 467 4.836 1.459 10.375 1.00 0.00 H new ATOM 0 HA2 GLY A 467 5.917 -0.490 11.604 1.00 0.00 H new ATOM 0 HA3 GLY A 467 5.483 0.382 13.061 1.00 0.00 H new ATOM 688 N ASN A 468 2.791 0.456 11.979 1.00 0.00 N ATOM 689 CA ASN A 468 1.409 -0.007 11.939 1.00 0.00 C ATOM 690 C ASN A 468 0.764 0.320 10.595 1.00 0.00 C ATOM 691 O ASN A 468 1.106 1.316 9.956 1.00 0.00 O ATOM 692 CB ASN A 468 0.603 0.630 13.073 1.00 0.00 C ATOM 693 CG ASN A 468 0.277 2.087 12.803 1.00 0.00 C ATOM 694 OD1 ASN A 468 1.174 2.912 12.628 1.00 0.00 O ATOM 695 ND2 ASN A 468 -1.011 2.409 12.770 1.00 0.00 N ATOM 0 H ASN A 468 2.896 1.470 12.010 1.00 0.00 H new ATOM 0 HA ASN A 468 1.411 -1.089 12.067 1.00 0.00 H new ATOM 0 HB2 ASN A 468 -0.323 0.073 13.214 1.00 0.00 H new ATOM 0 HB3 ASN A 468 1.166 0.553 14.003 1.00 0.00 H new ATOM 0 HD21 ASN A 468 -1.291 3.374 12.594 1.00 0.00 H new ATOM 0 HD22 ASN A 468 -1.720 1.691 12.921 1.00 0.00 H new ATOM 702 N CYS A 469 -0.171 -0.524 10.173 1.00 0.00 N ATOM 703 CA CYS A 469 -0.865 -0.327 8.906 1.00 0.00 C ATOM 704 C CYS A 469 -2.277 0.203 9.136 1.00 0.00 C ATOM 705 O CYS A 469 -2.891 -0.065 10.170 1.00 0.00 O ATOM 706 CB CYS A 469 -0.922 -1.639 8.121 1.00 0.00 C ATOM 707 SG CYS A 469 -1.418 -1.443 6.380 1.00 0.00 S ATOM 0 H CYS A 469 -0.466 -1.352 10.691 1.00 0.00 H new ATOM 0 HA CYS A 469 -0.309 0.410 8.327 1.00 0.00 H new ATOM 0 HB2 CYS A 469 0.058 -2.114 8.157 1.00 0.00 H new ATOM 0 HB3 CYS A 469 -1.622 -2.314 8.613 1.00 0.00 H new ATOM 0 HG CYS A 469 -0.457 -1.854 5.606 1.00 0.00 H new ATOM 712 N ILE A 470 -2.787 0.954 8.166 1.00 0.00 N ATOM 713 CA ILE A 470 -4.127 1.520 8.263 1.00 0.00 C ATOM 714 C ILE A 470 -5.189 0.478 7.928 1.00 0.00 C ATOM 715 O ILE A 470 -6.257 0.448 8.537 1.00 0.00 O ATOM 716 CB ILE A 470 -4.297 2.729 7.324 1.00 0.00 C ATOM 717 CG1 ILE A 470 -5.654 3.396 7.556 1.00 0.00 C ATOM 718 CG2 ILE A 470 -4.154 2.296 5.872 1.00 0.00 C ATOM 719 CD1 ILE A 470 -5.763 4.095 8.893 1.00 0.00 C ATOM 0 H ILE A 470 -2.293 1.185 7.304 1.00 0.00 H new ATOM 0 HA ILE A 470 -4.256 1.850 9.294 1.00 0.00 H new ATOM 0 HB ILE A 470 -3.515 3.455 7.545 1.00 0.00 H new ATOM 0 HG12 ILE A 470 -5.835 4.120 6.761 1.00 0.00 H new ATOM 0 HG13 ILE A 470 -6.438 2.642 7.485 1.00 0.00 H new ATOM 0 HG21 ILE A 470 -4.277 3.161 5.221 1.00 0.00 H new ATOM 0 HG22 ILE A 470 -3.166 1.862 5.717 1.00 0.00 H new ATOM 0 HG23 ILE A 470 -4.917 1.554 5.637 1.00 0.00 H new ATOM 0 HD11 ILE A 470 -6.751 4.545 8.989 1.00 0.00 H new ATOM 0 HD12 ILE A 470 -5.614 3.372 9.695 1.00 0.00 H new ATOM 0 HD13 ILE A 470 -5.002 4.873 8.960 1.00 0.00 H new ATOM 731 N ASN A 471 -4.885 -0.378 6.957 1.00 0.00 N ATOM 732 CA ASN A 471 -5.813 -1.423 6.542 1.00 0.00 C ATOM 733 C ASN A 471 -6.330 -2.202 7.748 1.00 0.00 C ATOM 734 O ASN A 471 -7.516 -2.151 8.071 1.00 0.00 O ATOM 735 CB ASN A 471 -5.132 -2.377 5.559 1.00 0.00 C ATOM 736 CG ASN A 471 -4.703 -1.682 4.281 1.00 0.00 C ATOM 737 OD1 ASN A 471 -4.259 -0.534 4.305 1.00 0.00 O ATOM 738 ND2 ASN A 471 -4.835 -2.376 3.157 1.00 0.00 N ATOM 0 H ASN A 471 -4.004 -0.368 6.444 1.00 0.00 H new ATOM 0 HA ASN A 471 -6.660 -0.947 6.049 1.00 0.00 H new ATOM 0 HB2 ASN A 471 -4.260 -2.824 6.036 1.00 0.00 H new ATOM 0 HB3 ASN A 471 -5.815 -3.191 5.315 1.00 0.00 H new ATOM 0 HD21 ASN A 471 -4.564 -1.960 2.266 1.00 0.00 H new ATOM 0 HD22 ASN A 471 -5.208 -3.325 3.184 1.00 0.00 H new ATOM 745 N GLY A 472 -5.431 -2.922 8.411 1.00 0.00 N ATOM 746 CA GLY A 472 -5.814 -3.700 9.574 1.00 0.00 C ATOM 747 C GLY A 472 -5.135 -5.054 9.616 1.00 0.00 C ATOM 748 O GLY A 472 -4.214 -5.318 8.842 1.00 0.00 O ATOM 0 H GLY A 472 -4.443 -2.980 8.163 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -5.564 -3.144 10.477 1.00 0.00 H new ATOM 0 HA3 GLY A 472 -6.895 -3.839 9.574 1.00 0.00 H new ATOM 752 N ASP A 473 -5.588 -5.915 10.521 1.00 0.00 N ATOM 753 CA ASP A 473 -5.017 -7.249 10.661 1.00 0.00 C ATOM 754 C ASP A 473 -5.230 -8.067 9.391 1.00 0.00 C ATOM 755 O ASP A 473 -4.482 -9.004 9.111 1.00 0.00 O ATOM 756 CB ASP A 473 -5.639 -7.970 11.857 1.00 0.00 C ATOM 757 CG ASP A 473 -7.139 -7.767 11.940 1.00 0.00 C ATOM 758 OD1 ASP A 473 -7.568 -6.711 12.453 1.00 0.00 O ATOM 759 OD2 ASP A 473 -7.885 -8.662 11.491 1.00 0.00 O ATOM 0 H ASP A 473 -6.349 -5.712 11.169 1.00 0.00 H new ATOM 0 HA ASP A 473 -3.945 -7.143 10.828 1.00 0.00 H new ATOM 0 HB2 ASP A 473 -5.423 -9.036 11.787 1.00 0.00 H new ATOM 0 HB3 ASP A 473 -5.175 -7.610 12.776 1.00 0.00 H new ATOM 764 N ASP A 474 -6.255 -7.707 8.626 1.00 0.00 N ATOM 765 CA ASP A 474 -6.567 -8.408 7.386 1.00 0.00 C ATOM 766 C ASP A 474 -6.146 -7.581 6.175 1.00 0.00 C ATOM 767 O ASP A 474 -6.910 -7.424 5.221 1.00 0.00 O ATOM 768 CB ASP A 474 -8.063 -8.718 7.313 1.00 0.00 C ATOM 769 CG ASP A 474 -8.607 -9.257 8.621 1.00 0.00 C ATOM 770 OD1 ASP A 474 -7.934 -10.110 9.237 1.00 0.00 O ATOM 771 OD2 ASP A 474 -9.705 -8.825 9.029 1.00 0.00 O ATOM 0 H ASP A 474 -6.884 -6.934 8.843 1.00 0.00 H new ATOM 0 HA ASP A 474 -6.009 -9.345 7.376 1.00 0.00 H new ATOM 0 HB2 ASP A 474 -8.606 -7.812 7.043 1.00 0.00 H new ATOM 0 HB3 ASP A 474 -8.242 -9.445 6.521 1.00 0.00 H new ATOM 776 N CYS A 475 -4.928 -7.053 6.219 1.00 0.00 N ATOM 777 CA CYS A 475 -4.405 -6.241 5.127 1.00 0.00 C ATOM 778 C CYS A 475 -4.089 -7.105 3.910 1.00 0.00 C ATOM 779 O CYS A 475 -3.703 -8.266 4.044 1.00 0.00 O ATOM 780 CB CYS A 475 -3.148 -5.493 5.576 1.00 0.00 C ATOM 781 SG CYS A 475 -2.442 -4.396 4.305 1.00 0.00 S ATOM 0 H CYS A 475 -4.284 -7.173 7.000 1.00 0.00 H new ATOM 0 HA CYS A 475 -5.170 -5.517 4.848 1.00 0.00 H new ATOM 0 HB2 CYS A 475 -3.387 -4.901 6.460 1.00 0.00 H new ATOM 0 HB3 CYS A 475 -2.392 -6.220 5.874 1.00 0.00 H new ATOM 0 HG CYS A 475 -2.029 -3.296 4.862 1.00 0.00 H new ATOM 786 N MET A 476 -4.254 -6.530 2.724 1.00 0.00 N ATOM 787 CA MET A 476 -3.985 -7.247 1.483 1.00 0.00 C ATOM 788 C MET A 476 -2.489 -7.276 1.186 1.00 0.00 C ATOM 789 O MET A 476 -2.071 -7.641 0.086 1.00 0.00 O ATOM 790 CB MET A 476 -4.735 -6.596 0.319 1.00 0.00 C ATOM 791 CG MET A 476 -4.357 -5.141 0.090 1.00 0.00 C ATOM 792 SD MET A 476 -2.789 -4.961 -0.783 1.00 0.00 S ATOM 793 CE MET A 476 -3.264 -5.454 -2.438 1.00 0.00 C ATOM 0 H MET A 476 -4.573 -5.570 2.596 1.00 0.00 H new ATOM 0 HA MET A 476 -4.334 -8.273 1.602 1.00 0.00 H new ATOM 0 HB2 MET A 476 -4.538 -7.162 -0.592 1.00 0.00 H new ATOM 0 HB3 MET A 476 -5.807 -6.659 0.507 1.00 0.00 H new ATOM 0 HG2 MET A 476 -5.145 -4.650 -0.481 1.00 0.00 H new ATOM 0 HG3 MET A 476 -4.294 -4.630 1.051 1.00 0.00 H new ATOM 0 HE1 MET A 476 -2.501 -5.133 -3.147 1.00 0.00 H new ATOM 0 HE2 MET A 476 -3.364 -6.539 -2.480 1.00 0.00 H new ATOM 0 HE3 MET A 476 -4.216 -4.991 -2.696 1.00 0.00 H new ATOM 803 N PHE A 477 -1.687 -6.889 2.172 1.00 0.00 N ATOM 804 CA PHE A 477 -0.237 -6.870 2.015 1.00 0.00 C ATOM 805 C PHE A 477 0.437 -7.729 3.081 1.00 0.00 C ATOM 806 O PHE A 477 -0.124 -7.961 4.153 1.00 0.00 O ATOM 807 CB PHE A 477 0.287 -5.435 2.095 1.00 0.00 C ATOM 808 CG PHE A 477 0.036 -4.635 0.848 1.00 0.00 C ATOM 809 CD1 PHE A 477 0.314 -5.168 -0.400 1.00 0.00 C ATOM 810 CD2 PHE A 477 -0.477 -3.350 0.925 1.00 0.00 C ATOM 811 CE1 PHE A 477 0.084 -4.435 -1.549 1.00 0.00 C ATOM 812 CE2 PHE A 477 -0.709 -2.613 -0.221 1.00 0.00 C ATOM 813 CZ PHE A 477 -0.427 -3.155 -1.459 1.00 0.00 C ATOM 0 H PHE A 477 -2.016 -6.584 3.088 1.00 0.00 H new ATOM 0 HA PHE A 477 0.003 -7.283 1.035 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -0.182 -4.932 2.941 1.00 0.00 H new ATOM 0 HB3 PHE A 477 1.359 -5.458 2.293 1.00 0.00 H new ATOM 0 HD1 PHE A 477 0.715 -6.168 -0.476 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -0.698 -2.920 1.891 1.00 0.00 H new ATOM 0 HE1 PHE A 477 0.304 -4.863 -2.516 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -1.111 -1.613 -0.148 1.00 0.00 H new ATOM 0 HZ PHE A 477 -0.606 -2.579 -2.355 1.00 0.00 H new ATOM 823 N SER A 478 1.642 -8.200 2.779 1.00 0.00 N ATOM 824 CA SER A 478 2.392 -9.037 3.708 1.00 0.00 C ATOM 825 C SER A 478 2.979 -8.200 4.840 1.00 0.00 C ATOM 826 O SER A 478 3.666 -7.206 4.601 1.00 0.00 O ATOM 827 CB SER A 478 3.510 -9.778 2.973 1.00 0.00 C ATOM 828 OG SER A 478 3.003 -10.903 2.275 1.00 0.00 O ATOM 0 H SER A 478 2.121 -8.016 1.897 1.00 0.00 H new ATOM 0 HA SER A 478 1.705 -9.766 4.137 1.00 0.00 H new ATOM 0 HB2 SER A 478 4.000 -9.102 2.272 1.00 0.00 H new ATOM 0 HB3 SER A 478 4.268 -10.100 3.687 1.00 0.00 H new ATOM 0 HG SER A 478 2.498 -10.601 1.491 1.00 0.00 H new ATOM 834 N HIS A 479 2.705 -8.610 6.075 1.00 0.00 N ATOM 835 CA HIS A 479 3.207 -7.899 7.245 1.00 0.00 C ATOM 836 C HIS A 479 4.390 -8.637 7.864 1.00 0.00 C ATOM 837 O HIS A 479 4.769 -8.377 9.006 1.00 0.00 O ATOM 838 CB HIS A 479 2.096 -7.733 8.283 1.00 0.00 C ATOM 839 CG HIS A 479 1.153 -6.610 7.977 1.00 0.00 C ATOM 840 ND1 HIS A 479 0.089 -6.279 8.788 1.00 0.00 N ATOM 841 CD2 HIS A 479 1.121 -5.739 6.941 1.00 0.00 C ATOM 842 CE1 HIS A 479 -0.559 -5.253 8.264 1.00 0.00 C ATOM 843 NE2 HIS A 479 0.048 -4.906 7.143 1.00 0.00 N ATOM 0 H HIS A 479 2.138 -9.430 6.291 1.00 0.00 H new ATOM 0 HA HIS A 479 3.544 -6.914 6.923 1.00 0.00 H new ATOM 0 HB2 HIS A 479 1.531 -8.663 8.350 1.00 0.00 H new ATOM 0 HB3 HIS A 479 2.546 -7.562 9.261 1.00 0.00 H new ATOM 0 HD2 HIS A 479 1.811 -5.706 6.111 1.00 0.00 H new ATOM 0 HE1 HIS A 479 -1.435 -4.779 8.681 1.00 0.00 H new ATOM 0 HE2 HIS A 479 -0.234 -4.143 6.528 1.00 0.00 H new ATOM 851 N ASP A 480 4.969 -9.559 7.102 1.00 0.00 N ATOM 852 CA ASP A 480 6.110 -10.335 7.575 1.00 0.00 C ATOM 853 C ASP A 480 7.313 -9.433 7.828 1.00 0.00 C ATOM 854 O ASP A 480 7.433 -8.344 7.267 1.00 0.00 O ATOM 855 CB ASP A 480 6.473 -11.418 6.558 1.00 0.00 C ATOM 856 CG ASP A 480 5.485 -12.568 6.558 1.00 0.00 C ATOM 857 OD1 ASP A 480 5.620 -13.466 7.416 1.00 0.00 O ATOM 858 OD2 ASP A 480 4.577 -12.570 5.701 1.00 0.00 O ATOM 0 H ASP A 480 4.667 -9.787 6.155 1.00 0.00 H new ATOM 0 HA ASP A 480 5.831 -10.810 8.516 1.00 0.00 H new ATOM 0 HB2 ASP A 480 6.513 -10.978 5.562 1.00 0.00 H new ATOM 0 HB3 ASP A 480 7.470 -11.800 6.778 1.00 0.00 H new ATOM 863 N PRO A 481 8.228 -9.895 8.694 1.00 0.00 N ATOM 864 CA PRO A 481 9.438 -9.145 9.042 1.00 0.00 C ATOM 865 C PRO A 481 10.428 -9.073 7.885 1.00 0.00 C ATOM 866 O PRO A 481 10.885 -10.099 7.380 1.00 0.00 O ATOM 867 CB PRO A 481 10.031 -9.947 10.203 1.00 0.00 C ATOM 868 CG PRO A 481 9.518 -11.332 10.008 1.00 0.00 C ATOM 869 CD PRO A 481 8.150 -11.185 9.400 1.00 0.00 C ATOM 0 HA PRO A 481 9.216 -8.107 9.292 1.00 0.00 H new ATOM 0 HB2 PRO A 481 11.121 -9.922 10.185 1.00 0.00 H new ATOM 0 HB3 PRO A 481 9.718 -9.541 11.165 1.00 0.00 H new ATOM 0 HG2 PRO A 481 10.176 -11.904 9.354 1.00 0.00 H new ATOM 0 HG3 PRO A 481 9.468 -11.867 10.956 1.00 0.00 H new ATOM 0 HD2 PRO A 481 7.924 -12.004 8.717 1.00 0.00 H new ATOM 0 HD3 PRO A 481 7.370 -11.180 10.161 1.00 0.00 H new ATOM 877 N LEU A 482 10.756 -7.855 7.468 1.00 0.00 N ATOM 878 CA LEU A 482 11.693 -7.649 6.369 1.00 0.00 C ATOM 879 C LEU A 482 12.872 -8.611 6.471 1.00 0.00 C ATOM 880 O LEU A 482 13.325 -8.943 7.567 1.00 0.00 O ATOM 881 CB LEU A 482 12.198 -6.205 6.368 1.00 0.00 C ATOM 882 CG LEU A 482 11.211 -5.149 5.870 1.00 0.00 C ATOM 883 CD1 LEU A 482 11.786 -3.753 6.051 1.00 0.00 C ATOM 884 CD2 LEU A 482 10.856 -5.396 4.411 1.00 0.00 C ATOM 0 H LEU A 482 10.387 -6.995 7.874 1.00 0.00 H new ATOM 0 HA LEU A 482 11.167 -7.845 5.434 1.00 0.00 H new ATOM 0 HB2 LEU A 482 12.496 -5.945 7.384 1.00 0.00 H new ATOM 0 HB3 LEU A 482 13.095 -6.155 5.750 1.00 0.00 H new ATOM 0 HG LEU A 482 10.299 -5.224 6.463 1.00 0.00 H new ATOM 0 HD11 LEU A 482 11.069 -3.015 5.691 1.00 0.00 H new ATOM 0 HD12 LEU A 482 11.988 -3.577 7.107 1.00 0.00 H new ATOM 0 HD13 LEU A 482 12.713 -3.665 5.484 1.00 0.00 H new ATOM 0 HD21 LEU A 482 10.153 -4.635 4.074 1.00 0.00 H new ATOM 0 HD22 LEU A 482 11.760 -5.349 3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 482 10.401 -6.381 4.309 1.00 0.00 H new ATOM 896 N THR A 483 13.367 -9.057 5.320 1.00 0.00 N ATOM 897 CA THR A 483 14.493 -9.980 5.279 1.00 0.00 C ATOM 898 C THR A 483 15.478 -9.598 4.180 1.00 0.00 C ATOM 899 O THR A 483 15.121 -8.905 3.228 1.00 0.00 O ATOM 900 CB THR A 483 14.024 -11.429 5.049 1.00 0.00 C ATOM 901 OG1 THR A 483 12.979 -11.456 4.070 1.00 0.00 O ATOM 902 CG2 THR A 483 13.527 -12.049 6.346 1.00 0.00 C ATOM 0 H THR A 483 13.005 -8.793 4.404 1.00 0.00 H new ATOM 0 HA THR A 483 14.989 -9.915 6.247 1.00 0.00 H new ATOM 0 HB THR A 483 14.873 -12.010 4.689 1.00 0.00 H new ATOM 0 HG1 THR A 483 12.687 -12.381 3.928 1.00 0.00 H new ATOM 0 HG21 THR A 483 13.201 -13.072 6.159 1.00 0.00 H new ATOM 0 HG22 THR A 483 14.333 -12.053 7.080 1.00 0.00 H new ATOM 0 HG23 THR A 483 12.690 -11.466 6.731 1.00 0.00 H new ATOM 910 N GLU A 484 16.719 -10.053 4.319 1.00 0.00 N ATOM 911 CA GLU A 484 17.756 -9.757 3.337 1.00 0.00 C ATOM 912 C GLU A 484 17.190 -9.796 1.920 1.00 0.00 C ATOM 913 O GLU A 484 17.672 -9.097 1.030 1.00 0.00 O ATOM 914 CB GLU A 484 18.910 -10.754 3.464 1.00 0.00 C ATOM 915 CG GLU A 484 18.505 -12.192 3.190 1.00 0.00 C ATOM 916 CD GLU A 484 19.661 -13.162 3.334 1.00 0.00 C ATOM 917 OE1 GLU A 484 20.010 -13.501 4.484 1.00 0.00 O ATOM 918 OE2 GLU A 484 20.218 -13.581 2.298 1.00 0.00 O ATOM 0 H GLU A 484 17.031 -10.628 5.102 1.00 0.00 H new ATOM 0 HA GLU A 484 18.130 -8.752 3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 484 19.702 -10.470 2.771 1.00 0.00 H new ATOM 0 HB3 GLU A 484 19.327 -10.688 4.469 1.00 0.00 H new ATOM 0 HG2 GLU A 484 17.708 -12.478 3.877 1.00 0.00 H new ATOM 0 HG3 GLU A 484 18.098 -12.265 2.181 1.00 0.00 H new ATOM 925 N GLU A 485 16.164 -10.618 1.721 1.00 0.00 N ATOM 926 CA GLU A 485 15.534 -10.749 0.413 1.00 0.00 C ATOM 927 C GLU A 485 14.543 -9.614 0.171 1.00 0.00 C ATOM 928 O GLU A 485 14.822 -8.679 -0.581 1.00 0.00 O ATOM 929 CB GLU A 485 14.819 -12.097 0.299 1.00 0.00 C ATOM 930 CG GLU A 485 15.766 -13.276 0.145 1.00 0.00 C ATOM 931 CD GLU A 485 15.074 -14.610 0.347 1.00 0.00 C ATOM 932 OE1 GLU A 485 14.942 -15.039 1.513 1.00 0.00 O ATOM 933 OE2 GLU A 485 14.664 -15.225 -0.659 1.00 0.00 O ATOM 0 H GLU A 485 15.752 -11.202 2.448 1.00 0.00 H new ATOM 0 HA GLU A 485 16.315 -10.695 -0.345 1.00 0.00 H new ATOM 0 HB2 GLU A 485 14.204 -12.249 1.186 1.00 0.00 H new ATOM 0 HB3 GLU A 485 14.144 -12.070 -0.556 1.00 0.00 H new ATOM 0 HG2 GLU A 485 16.214 -13.250 -0.848 1.00 0.00 H new ATOM 0 HG3 GLU A 485 16.579 -13.180 0.864 1.00 0.00 H new ATOM 940 N THR A 486 13.382 -9.703 0.812 1.00 0.00 N ATOM 941 CA THR A 486 12.348 -8.686 0.666 1.00 0.00 C ATOM 942 C THR A 486 12.918 -7.288 0.878 1.00 0.00 C ATOM 943 O THR A 486 12.666 -6.379 0.087 1.00 0.00 O ATOM 944 CB THR A 486 11.193 -8.912 1.660 1.00 0.00 C ATOM 945 OG1 THR A 486 11.671 -8.787 3.004 1.00 0.00 O ATOM 946 CG2 THR A 486 10.571 -10.287 1.463 1.00 0.00 C ATOM 0 H THR A 486 13.134 -10.469 1.438 1.00 0.00 H new ATOM 0 HA THR A 486 11.965 -8.769 -0.351 1.00 0.00 H new ATOM 0 HB THR A 486 10.430 -8.156 1.475 1.00 0.00 H new ATOM 0 HG1 THR A 486 10.976 -9.085 3.627 1.00 0.00 H new ATOM 0 HG21 THR A 486 9.758 -10.424 2.176 1.00 0.00 H new ATOM 0 HG22 THR A 486 10.182 -10.368 0.448 1.00 0.00 H new ATOM 0 HG23 THR A 486 11.328 -11.055 1.624 1.00 0.00 H new ATOM 954 N ARG A 487 13.688 -7.124 1.948 1.00 0.00 N ATOM 955 CA ARG A 487 14.293 -5.835 2.263 1.00 0.00 C ATOM 956 C ARG A 487 14.771 -5.134 0.995 1.00 0.00 C ATOM 957 O ARG A 487 14.682 -3.912 0.879 1.00 0.00 O ATOM 958 CB ARG A 487 15.466 -6.021 3.228 1.00 0.00 C ATOM 959 CG ARG A 487 15.798 -4.774 4.031 1.00 0.00 C ATOM 960 CD ARG A 487 16.323 -3.660 3.139 1.00 0.00 C ATOM 961 NE ARG A 487 17.249 -2.782 3.849 1.00 0.00 N ATOM 962 CZ ARG A 487 16.860 -1.765 4.610 1.00 0.00 C ATOM 963 NH1 ARG A 487 15.570 -1.500 4.759 1.00 0.00 N ATOM 964 NH2 ARG A 487 17.763 -1.011 5.223 1.00 0.00 N ATOM 0 H ARG A 487 13.908 -7.867 2.611 1.00 0.00 H new ATOM 0 HA ARG A 487 13.535 -5.212 2.738 1.00 0.00 H new ATOM 0 HB2 ARG A 487 15.234 -6.835 3.915 1.00 0.00 H new ATOM 0 HB3 ARG A 487 16.347 -6.323 2.662 1.00 0.00 H new ATOM 0 HG2 ARG A 487 14.907 -4.431 4.557 1.00 0.00 H new ATOM 0 HG3 ARG A 487 16.543 -5.016 4.789 1.00 0.00 H new ATOM 0 HD2 ARG A 487 16.825 -4.094 2.275 1.00 0.00 H new ATOM 0 HD3 ARG A 487 15.486 -3.074 2.760 1.00 0.00 H new ATOM 0 HE ARG A 487 18.249 -2.959 3.756 1.00 0.00 H new ATOM 0 HH11 ARG A 487 14.873 -2.078 4.289 1.00 0.00 H new ATOM 0 HH12 ARG A 487 15.274 -0.719 5.344 1.00 0.00 H new ATOM 0 HH21 ARG A 487 18.757 -1.212 5.110 1.00 0.00 H new ATOM 0 HH22 ARG A 487 17.464 -0.230 5.807 1.00 0.00 H new ATOM 978 N GLU A 488 15.277 -5.917 0.047 1.00 0.00 N ATOM 979 CA GLU A 488 15.769 -5.370 -1.212 1.00 0.00 C ATOM 980 C GLU A 488 14.632 -4.749 -2.017 1.00 0.00 C ATOM 981 O GLU A 488 14.786 -3.680 -2.609 1.00 0.00 O ATOM 982 CB GLU A 488 16.454 -6.463 -2.035 1.00 0.00 C ATOM 983 CG GLU A 488 17.713 -7.015 -1.387 1.00 0.00 C ATOM 984 CD GLU A 488 18.945 -6.192 -1.710 1.00 0.00 C ATOM 985 OE1 GLU A 488 18.795 -4.986 -1.993 1.00 0.00 O ATOM 986 OE2 GLU A 488 20.059 -6.756 -1.679 1.00 0.00 O ATOM 0 H GLU A 488 15.357 -6.931 0.127 1.00 0.00 H new ATOM 0 HA GLU A 488 16.495 -4.590 -0.981 1.00 0.00 H new ATOM 0 HB2 GLU A 488 15.750 -7.280 -2.196 1.00 0.00 H new ATOM 0 HB3 GLU A 488 16.707 -6.062 -3.017 1.00 0.00 H new ATOM 0 HG2 GLU A 488 17.576 -7.048 -0.306 1.00 0.00 H new ATOM 0 HG3 GLU A 488 17.869 -8.041 -1.720 1.00 0.00 H new ATOM 993 N LEU A 489 13.489 -5.427 -2.035 1.00 0.00 N ATOM 994 CA LEU A 489 12.324 -4.943 -2.768 1.00 0.00 C ATOM 995 C LEU A 489 12.075 -3.465 -2.481 1.00 0.00 C ATOM 996 O LEU A 489 12.141 -2.628 -3.382 1.00 0.00 O ATOM 997 CB LEU A 489 11.087 -5.762 -2.396 1.00 0.00 C ATOM 998 CG LEU A 489 11.173 -7.265 -2.660 1.00 0.00 C ATOM 999 CD1 LEU A 489 9.913 -7.965 -2.174 1.00 0.00 C ATOM 1000 CD2 LEU A 489 11.397 -7.535 -4.141 1.00 0.00 C ATOM 0 H LEU A 489 13.344 -6.313 -1.551 1.00 0.00 H new ATOM 0 HA LEU A 489 12.522 -5.059 -3.834 1.00 0.00 H new ATOM 0 HB2 LEU A 489 10.881 -5.611 -1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 489 10.234 -5.365 -2.946 1.00 0.00 H new ATOM 0 HG LEU A 489 12.023 -7.663 -2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 489 9.992 -9.034 -2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 489 9.795 -7.800 -1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 489 9.047 -7.563 -2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 489 11.456 -8.610 -4.310 1.00 0.00 H new ATOM 0 HD22 LEU A 489 10.568 -7.122 -4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 489 12.328 -7.066 -4.460 1.00 0.00 H new ATOM 1012 N LEU A 490 11.792 -3.152 -1.222 1.00 0.00 N ATOM 1013 CA LEU A 490 11.536 -1.775 -0.815 1.00 0.00 C ATOM 1014 C LEU A 490 12.493 -0.814 -1.513 1.00 0.00 C ATOM 1015 O LEU A 490 12.066 0.115 -2.199 1.00 0.00 O ATOM 1016 CB LEU A 490 11.672 -1.637 0.702 1.00 0.00 C ATOM 1017 CG LEU A 490 10.535 -2.229 1.535 1.00 0.00 C ATOM 1018 CD1 LEU A 490 10.918 -2.275 3.006 1.00 0.00 C ATOM 1019 CD2 LEU A 490 9.257 -1.425 1.340 1.00 0.00 C ATOM 0 H LEU A 490 11.734 -3.833 -0.465 1.00 0.00 H new ATOM 0 HA LEU A 490 10.517 -1.519 -1.107 1.00 0.00 H new ATOM 0 HB2 LEU A 490 12.604 -2.112 1.008 1.00 0.00 H new ATOM 0 HB3 LEU A 490 11.759 -0.578 0.944 1.00 0.00 H new ATOM 0 HG LEU A 490 10.355 -3.249 1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 490 10.096 -2.699 3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 490 11.807 -2.894 3.131 1.00 0.00 H new ATOM 0 HD13 LEU A 490 11.126 -1.265 3.360 1.00 0.00 H new ATOM 0 HD21 LEU A 490 8.458 -1.860 1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 490 9.425 -0.394 1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 490 8.972 -1.444 0.288 1.00 0.00 H new ATOM 1031 N ASP A 491 13.789 -1.045 -1.334 1.00 0.00 N ATOM 1032 CA ASP A 491 14.808 -0.202 -1.949 1.00 0.00 C ATOM 1033 C ASP A 491 14.441 0.128 -3.393 1.00 0.00 C ATOM 1034 O ASP A 491 14.668 1.243 -3.863 1.00 0.00 O ATOM 1035 CB ASP A 491 16.171 -0.894 -1.901 1.00 0.00 C ATOM 1036 CG ASP A 491 16.724 -0.988 -0.493 1.00 0.00 C ATOM 1037 OD1 ASP A 491 16.374 -0.126 0.341 1.00 0.00 O ATOM 1038 OD2 ASP A 491 17.505 -1.923 -0.224 1.00 0.00 O ATOM 0 H ASP A 491 14.159 -1.809 -0.768 1.00 0.00 H new ATOM 0 HA ASP A 491 14.863 0.729 -1.385 1.00 0.00 H new ATOM 0 HB2 ASP A 491 16.081 -1.896 -2.320 1.00 0.00 H new ATOM 0 HB3 ASP A 491 16.875 -0.348 -2.529 1.00 0.00 H new ATOM 1043 N LYS A 492 13.874 -0.849 -4.092 1.00 0.00 N ATOM 1044 CA LYS A 492 13.476 -0.665 -5.482 1.00 0.00 C ATOM 1045 C LYS A 492 12.155 0.094 -5.573 1.00 0.00 C ATOM 1046 O LYS A 492 12.053 1.097 -6.279 1.00 0.00 O ATOM 1047 CB LYS A 492 13.347 -2.020 -6.182 1.00 0.00 C ATOM 1048 CG LYS A 492 13.130 -1.912 -7.681 1.00 0.00 C ATOM 1049 CD LYS A 492 14.448 -1.912 -8.437 1.00 0.00 C ATOM 1050 CE LYS A 492 14.959 -0.498 -8.666 1.00 0.00 C ATOM 1051 NZ LYS A 492 16.155 -0.478 -9.553 1.00 0.00 N ATOM 0 H LYS A 492 13.680 -1.778 -3.718 1.00 0.00 H new ATOM 0 HA LYS A 492 14.248 -0.078 -5.980 1.00 0.00 H new ATOM 0 HB2 LYS A 492 14.249 -2.603 -5.995 1.00 0.00 H new ATOM 0 HB3 LYS A 492 12.515 -2.569 -5.742 1.00 0.00 H new ATOM 0 HG2 LYS A 492 12.514 -2.745 -8.021 1.00 0.00 H new ATOM 0 HG3 LYS A 492 12.581 -0.997 -7.905 1.00 0.00 H new ATOM 0 HD2 LYS A 492 15.190 -2.482 -7.877 1.00 0.00 H new ATOM 0 HD3 LYS A 492 14.318 -2.413 -9.396 1.00 0.00 H new ATOM 0 HE2 LYS A 492 14.168 0.107 -9.109 1.00 0.00 H new ATOM 0 HE3 LYS A 492 15.210 -0.043 -7.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 16.473 0.503 -9.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 16.919 -1.034 -9.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 15.909 -0.889 -10.476 1.00 0.00 H new ATOM 1065 N MET A 493 11.148 -0.392 -4.855 1.00 0.00 N ATOM 1066 CA MET A 493 9.835 0.243 -4.853 1.00 0.00 C ATOM 1067 C MET A 493 9.939 1.705 -4.431 1.00 0.00 C ATOM 1068 O MET A 493 9.588 2.608 -5.193 1.00 0.00 O ATOM 1069 CB MET A 493 8.885 -0.504 -3.916 1.00 0.00 C ATOM 1070 CG MET A 493 7.450 -0.008 -3.983 1.00 0.00 C ATOM 1071 SD MET A 493 7.207 1.539 -3.090 1.00 0.00 S ATOM 1072 CE MET A 493 6.633 0.930 -1.507 1.00 0.00 C ATOM 0 H MET A 493 11.216 -1.223 -4.267 1.00 0.00 H new ATOM 0 HA MET A 493 9.438 0.203 -5.868 1.00 0.00 H new ATOM 0 HB2 MET A 493 8.906 -1.566 -4.162 1.00 0.00 H new ATOM 0 HB3 MET A 493 9.247 -0.407 -2.892 1.00 0.00 H new ATOM 0 HG2 MET A 493 7.166 0.131 -5.026 1.00 0.00 H new ATOM 0 HG3 MET A 493 6.787 -0.769 -3.571 1.00 0.00 H new ATOM 0 HE1 MET A 493 7.009 1.573 -0.712 1.00 0.00 H new ATOM 0 HE2 MET A 493 5.543 0.932 -1.490 1.00 0.00 H new ATOM 0 HE3 MET A 493 6.997 -0.086 -1.354 1.00 0.00 H new ATOM 1082 N LEU A 494 10.421 1.933 -3.214 1.00 0.00 N ATOM 1083 CA LEU A 494 10.571 3.286 -2.691 1.00 0.00 C ATOM 1084 C LEU A 494 11.302 4.178 -3.689 1.00 0.00 C ATOM 1085 O LEU A 494 10.870 5.296 -3.970 1.00 0.00 O ATOM 1086 CB LEU A 494 11.329 3.260 -1.363 1.00 0.00 C ATOM 1087 CG LEU A 494 10.517 2.847 -0.135 1.00 0.00 C ATOM 1088 CD1 LEU A 494 9.835 1.508 -0.371 1.00 0.00 C ATOM 1089 CD2 LEU A 494 11.408 2.783 1.097 1.00 0.00 C ATOM 0 H LEU A 494 10.715 1.198 -2.571 1.00 0.00 H new ATOM 0 HA LEU A 494 9.575 3.697 -2.526 1.00 0.00 H new ATOM 0 HB2 LEU A 494 12.173 2.577 -1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 494 11.742 4.253 -1.184 1.00 0.00 H new ATOM 0 HG LEU A 494 9.747 3.599 0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 494 9.262 1.231 0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 494 9.165 1.587 -1.227 1.00 0.00 H new ATOM 0 HD13 LEU A 494 10.589 0.746 -0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 494 10.813 2.488 1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 494 12.201 2.053 0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 494 11.849 3.763 1.278 1.00 0.00 H new