USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=23 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 461 LYS NZ :NH3+ -134:sc= -0.0426 (180deg=-0.251) USER MOD Set 1.2: A 493 MET CE :methyl 150:sc= -0.0429 (180deg=-2.05) USER MOD Set 2.1: A 483 THR OG1 : rot 180:sc= 0.805 USER MOD Set 2.2: A 486 THR OG1 : rot -85:sc= 1.79 USER MOD Set 3.1: A 460 CYS SG : rot 124:sc= 0.958 USER MOD Set 3.2: A 469 CYS SG : rot 127:sc= 0.26 USER MOD Set 3.3: A 471 ASN : amide:sc= 0.0762 X(o=1.6,f=1.1) USER MOD Set 3.4: A 475 CYS SG : rot 136:sc= 0.584 USER MOD Set 3.5: A 479 HIS : no HD1:sc= -0.3 X(o=1.6,f=1.7) USER MOD Set 4.1: A 465 THR OG1 : rot -34:sc= 0.221 USER MOD Set 4.2: A 466 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 437 CYS SG : rot 126:sc= 0.752 USER MOD Set 5.2: A 445 CYS SG : rot -91:sc= 1.09 USER MOD Set 5.3: A 451 CYS SG : rot -158:sc= 0.592 USER MOD Set 5.4: A 455 HIS : no HE2:sc= -0.141 K(o=2.3,f=-4.6!) USER MOD Single : A 433 LYS NZ :NH3+ -135:sc= 0.0419 (180deg=0) USER MOD Single : A 438 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 440 TYR OH : rot 180:sc= 0 USER MOD Single : A 442 THR OG1 : rot -10:sc= 0.809 USER MOD Single : A 450 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 453 TYR OH : rot 180:sc= 0 USER MOD Single : A 454 MET CE :methyl -163:sc= -0.722 (180deg=-1.45) USER MOD Single : A 463 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 HIS : no HE2:sc= -7.81! C(o=-7.8!,f=-7.1!) USER MOD Single : A 468 ASN : amide:sc= -0.289 X(o=-0.29,f=-0.34) USER MOD Single : A 476 MET CE :methyl 163:sc= 0 (180deg=-0.422) USER MOD Single : A 478 SER OG : rot 103:sc= 0.117 USER MOD Single : A 492 LYS NZ :NH3+ -129:sc= 0 (180deg=-1.45!) USER MOD ----------------------------------------------------------------- ATOM 136 N LYS A 433 9.820 -10.446 -11.399 1.00 0.00 N ATOM 137 CA LYS A 433 9.937 -9.014 -11.148 1.00 0.00 C ATOM 138 C LYS A 433 9.729 -8.702 -9.670 1.00 0.00 C ATOM 139 O LYS A 433 8.842 -9.262 -9.026 1.00 0.00 O ATOM 140 CB LYS A 433 8.919 -8.243 -11.991 1.00 0.00 C ATOM 141 CG LYS A 433 9.098 -8.435 -13.487 1.00 0.00 C ATOM 142 CD LYS A 433 10.254 -7.605 -14.021 1.00 0.00 C ATOM 143 CE LYS A 433 9.884 -6.133 -14.122 1.00 0.00 C ATOM 144 NZ LYS A 433 11.085 -5.269 -14.283 1.00 0.00 N ATOM 0 HA LYS A 433 10.943 -8.702 -11.429 1.00 0.00 H new ATOM 0 HB2 LYS A 433 7.914 -8.559 -11.710 1.00 0.00 H new ATOM 0 HB3 LYS A 433 8.996 -7.181 -11.758 1.00 0.00 H new ATOM 0 HG2 LYS A 433 9.276 -9.489 -13.701 1.00 0.00 H new ATOM 0 HG3 LYS A 433 8.179 -8.156 -14.003 1.00 0.00 H new ATOM 0 HD2 LYS A 433 11.118 -7.720 -13.367 1.00 0.00 H new ATOM 0 HD3 LYS A 433 10.546 -7.976 -15.003 1.00 0.00 H new ATOM 0 HE2 LYS A 433 9.214 -5.984 -14.969 1.00 0.00 H new ATOM 0 HE3 LYS A 433 9.339 -5.833 -13.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 11.008 -4.447 -13.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 11.938 -5.812 -14.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 11.149 -4.943 -15.269 1.00 0.00 H new ATOM 158 N ARG A 434 10.552 -7.804 -9.138 1.00 0.00 N ATOM 159 CA ARG A 434 10.458 -7.418 -7.735 1.00 0.00 C ATOM 160 C ARG A 434 9.841 -6.029 -7.594 1.00 0.00 C ATOM 161 O ARG A 434 10.358 -5.181 -6.868 1.00 0.00 O ATOM 162 CB ARG A 434 11.842 -7.441 -7.084 1.00 0.00 C ATOM 163 CG ARG A 434 12.155 -8.743 -6.364 1.00 0.00 C ATOM 164 CD ARG A 434 12.612 -9.820 -7.335 1.00 0.00 C ATOM 165 NE ARG A 434 13.953 -9.559 -7.851 1.00 0.00 N ATOM 166 CZ ARG A 434 14.756 -10.505 -8.324 1.00 0.00 C ATOM 167 NH1 ARG A 434 14.355 -11.769 -8.346 1.00 0.00 N ATOM 168 NH2 ARG A 434 15.962 -10.189 -8.776 1.00 0.00 N ATOM 0 H ARG A 434 11.291 -7.330 -9.657 1.00 0.00 H new ATOM 0 HA ARG A 434 9.814 -8.137 -7.228 1.00 0.00 H new ATOM 0 HB2 ARG A 434 12.598 -7.269 -7.850 1.00 0.00 H new ATOM 0 HB3 ARG A 434 11.914 -6.617 -6.374 1.00 0.00 H new ATOM 0 HG2 ARG A 434 12.931 -8.570 -5.619 1.00 0.00 H new ATOM 0 HG3 ARG A 434 11.270 -9.086 -5.829 1.00 0.00 H new ATOM 0 HD2 ARG A 434 12.598 -10.788 -6.835 1.00 0.00 H new ATOM 0 HD3 ARG A 434 11.909 -9.881 -8.166 1.00 0.00 H new ATOM 0 HE ARG A 434 14.292 -8.597 -7.848 1.00 0.00 H new ATOM 0 HH11 ARG A 434 13.428 -12.016 -7.999 1.00 0.00 H new ATOM 0 HH12 ARG A 434 14.973 -12.494 -8.710 1.00 0.00 H new ATOM 0 HH21 ARG A 434 16.274 -9.218 -8.761 1.00 0.00 H new ATOM 0 HH22 ARG A 434 16.577 -10.917 -9.139 1.00 0.00 H new ATOM 182 N GLU A 435 8.733 -5.806 -8.295 1.00 0.00 N ATOM 183 CA GLU A 435 8.048 -4.520 -8.248 1.00 0.00 C ATOM 184 C GLU A 435 6.585 -4.697 -7.849 1.00 0.00 C ATOM 185 O GLU A 435 5.940 -5.674 -8.231 1.00 0.00 O ATOM 186 CB GLU A 435 8.136 -3.820 -9.606 1.00 0.00 C ATOM 187 CG GLU A 435 9.490 -3.186 -9.876 1.00 0.00 C ATOM 188 CD GLU A 435 9.710 -2.885 -11.346 1.00 0.00 C ATOM 189 OE1 GLU A 435 9.394 -3.757 -12.183 1.00 0.00 O ATOM 190 OE2 GLU A 435 10.199 -1.780 -11.660 1.00 0.00 O ATOM 0 H GLU A 435 8.292 -6.498 -8.901 1.00 0.00 H new ATOM 0 HA GLU A 435 8.540 -3.903 -7.496 1.00 0.00 H new ATOM 0 HB2 GLU A 435 7.919 -4.543 -10.393 1.00 0.00 H new ATOM 0 HB3 GLU A 435 7.366 -3.050 -9.659 1.00 0.00 H new ATOM 0 HG2 GLU A 435 9.575 -2.263 -9.303 1.00 0.00 H new ATOM 0 HG3 GLU A 435 10.276 -3.854 -9.524 1.00 0.00 H new ATOM 197 N LEU A 436 6.069 -3.746 -7.079 1.00 0.00 N ATOM 198 CA LEU A 436 4.682 -3.797 -6.627 1.00 0.00 C ATOM 199 C LEU A 436 3.725 -3.472 -7.770 1.00 0.00 C ATOM 200 O LEU A 436 3.551 -2.310 -8.137 1.00 0.00 O ATOM 201 CB LEU A 436 4.466 -2.817 -5.472 1.00 0.00 C ATOM 202 CG LEU A 436 3.014 -2.582 -5.054 1.00 0.00 C ATOM 203 CD1 LEU A 436 2.477 -3.784 -4.293 1.00 0.00 C ATOM 204 CD2 LEU A 436 2.899 -1.320 -4.213 1.00 0.00 C ATOM 0 H LEU A 436 6.589 -2.931 -6.754 1.00 0.00 H new ATOM 0 HA LEU A 436 4.475 -4.810 -6.281 1.00 0.00 H new ATOM 0 HB2 LEU A 436 5.018 -3.180 -4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 436 4.903 -1.858 -5.749 1.00 0.00 H new ATOM 0 HG LEU A 436 2.413 -2.450 -5.954 1.00 0.00 H new ATOM 0 HD11 LEU A 436 1.443 -3.599 -4.004 1.00 0.00 H new ATOM 0 HD12 LEU A 436 2.523 -4.668 -4.929 1.00 0.00 H new ATOM 0 HD13 LEU A 436 3.080 -3.948 -3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 436 1.859 -1.169 -3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 436 3.513 -1.422 -3.318 1.00 0.00 H new ATOM 0 HD23 LEU A 436 3.243 -0.464 -4.793 1.00 0.00 H new ATOM 216 N CYS A 437 3.105 -4.507 -8.327 1.00 0.00 N ATOM 217 CA CYS A 437 2.164 -4.334 -9.426 1.00 0.00 C ATOM 218 C CYS A 437 1.290 -3.103 -9.205 1.00 0.00 C ATOM 219 O CYS A 437 0.621 -2.979 -8.179 1.00 0.00 O ATOM 220 CB CYS A 437 1.285 -5.578 -9.574 1.00 0.00 C ATOM 221 SG CYS A 437 0.406 -5.682 -11.166 1.00 0.00 S ATOM 0 H CYS A 437 3.238 -5.475 -8.035 1.00 0.00 H new ATOM 0 HA CYS A 437 2.737 -4.191 -10.342 1.00 0.00 H new ATOM 0 HB2 CYS A 437 1.907 -6.465 -9.456 1.00 0.00 H new ATOM 0 HB3 CYS A 437 0.554 -5.591 -8.766 1.00 0.00 H new ATOM 0 HG CYS A 437 0.661 -6.826 -11.729 1.00 0.00 H new ATOM 226 N LYS A 438 1.299 -2.195 -10.175 1.00 0.00 N ATOM 227 CA LYS A 438 0.507 -0.974 -10.089 1.00 0.00 C ATOM 228 C LYS A 438 -0.984 -1.287 -10.166 1.00 0.00 C ATOM 229 O LYS A 438 -1.822 -0.392 -10.055 1.00 0.00 O ATOM 230 CB LYS A 438 0.896 -0.009 -11.211 1.00 0.00 C ATOM 231 CG LYS A 438 0.529 -0.510 -12.598 1.00 0.00 C ATOM 232 CD LYS A 438 1.020 0.437 -13.680 1.00 0.00 C ATOM 233 CE LYS A 438 0.165 1.692 -13.753 1.00 0.00 C ATOM 234 NZ LYS A 438 0.303 2.383 -15.065 1.00 0.00 N ATOM 0 H LYS A 438 1.847 -2.282 -11.031 1.00 0.00 H new ATOM 0 HA LYS A 438 0.712 -0.504 -9.127 1.00 0.00 H new ATOM 0 HB2 LYS A 438 0.408 0.950 -11.039 1.00 0.00 H new ATOM 0 HB3 LYS A 438 1.971 0.168 -11.170 1.00 0.00 H new ATOM 0 HG2 LYS A 438 0.961 -1.499 -12.755 1.00 0.00 H new ATOM 0 HG3 LYS A 438 -0.553 -0.619 -12.672 1.00 0.00 H new ATOM 0 HD2 LYS A 438 2.056 0.712 -13.481 1.00 0.00 H new ATOM 0 HD3 LYS A 438 1.005 -0.071 -14.644 1.00 0.00 H new ATOM 0 HE2 LYS A 438 -0.880 1.429 -13.589 1.00 0.00 H new ATOM 0 HE3 LYS A 438 0.451 2.373 -12.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 438 -0.296 3.233 -15.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 438 1.296 2.657 -15.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 438 0.005 1.742 -15.828 1.00 0.00 H new ATOM 248 N PHE A 439 -1.308 -2.561 -10.356 1.00 0.00 N ATOM 249 CA PHE A 439 -2.698 -2.991 -10.448 1.00 0.00 C ATOM 250 C PHE A 439 -3.154 -3.638 -9.143 1.00 0.00 C ATOM 251 O PHE A 439 -4.187 -3.269 -8.583 1.00 0.00 O ATOM 252 CB PHE A 439 -2.875 -3.975 -11.607 1.00 0.00 C ATOM 253 CG PHE A 439 -2.498 -3.401 -12.943 1.00 0.00 C ATOM 254 CD1 PHE A 439 -3.111 -2.251 -13.415 1.00 0.00 C ATOM 255 CD2 PHE A 439 -1.533 -4.012 -13.727 1.00 0.00 C ATOM 256 CE1 PHE A 439 -2.766 -1.720 -14.644 1.00 0.00 C ATOM 257 CE2 PHE A 439 -1.185 -3.485 -14.956 1.00 0.00 C ATOM 258 CZ PHE A 439 -1.803 -2.338 -15.416 1.00 0.00 C ATOM 0 H PHE A 439 -0.627 -3.314 -10.449 1.00 0.00 H new ATOM 0 HA PHE A 439 -3.313 -2.110 -10.632 1.00 0.00 H new ATOM 0 HB2 PHE A 439 -2.269 -4.861 -11.417 1.00 0.00 H new ATOM 0 HB3 PHE A 439 -3.915 -4.301 -11.641 1.00 0.00 H new ATOM 0 HD1 PHE A 439 -3.867 -1.764 -12.816 1.00 0.00 H new ATOM 0 HD2 PHE A 439 -1.048 -4.910 -13.374 1.00 0.00 H new ATOM 0 HE1 PHE A 439 -3.250 -0.822 -15.000 1.00 0.00 H new ATOM 0 HE2 PHE A 439 -0.430 -3.970 -15.557 1.00 0.00 H new ATOM 0 HZ PHE A 439 -1.533 -1.926 -16.377 1.00 0.00 H new ATOM 268 N TYR A 440 -2.378 -4.605 -8.666 1.00 0.00 N ATOM 269 CA TYR A 440 -2.703 -5.305 -7.429 1.00 0.00 C ATOM 270 C TYR A 440 -3.061 -4.319 -6.322 1.00 0.00 C ATOM 271 O TYR A 440 -3.956 -4.573 -5.516 1.00 0.00 O ATOM 272 CB TYR A 440 -1.526 -6.178 -6.989 1.00 0.00 C ATOM 273 CG TYR A 440 -1.879 -7.164 -5.898 1.00 0.00 C ATOM 274 CD1 TYR A 440 -2.805 -8.175 -6.121 1.00 0.00 C ATOM 275 CD2 TYR A 440 -1.287 -7.083 -4.644 1.00 0.00 C ATOM 276 CE1 TYR A 440 -3.131 -9.078 -5.127 1.00 0.00 C ATOM 277 CE2 TYR A 440 -1.605 -7.982 -3.644 1.00 0.00 C ATOM 278 CZ TYR A 440 -2.528 -8.977 -3.890 1.00 0.00 C ATOM 279 OH TYR A 440 -2.849 -9.873 -2.897 1.00 0.00 O ATOM 0 H TYR A 440 -1.520 -4.922 -9.117 1.00 0.00 H new ATOM 0 HA TYR A 440 -3.568 -5.940 -7.618 1.00 0.00 H new ATOM 0 HB2 TYR A 440 -1.147 -6.725 -7.853 1.00 0.00 H new ATOM 0 HB3 TYR A 440 -0.718 -5.535 -6.639 1.00 0.00 H new ATOM 0 HD1 TYR A 440 -3.279 -8.257 -7.088 1.00 0.00 H new ATOM 0 HD2 TYR A 440 -0.566 -6.304 -4.447 1.00 0.00 H new ATOM 0 HE1 TYR A 440 -3.853 -9.858 -5.317 1.00 0.00 H new ATOM 0 HE2 TYR A 440 -1.134 -7.906 -2.675 1.00 0.00 H new ATOM 0 HH TYR A 440 -2.335 -9.664 -2.089 1.00 0.00 H new ATOM 289 N ILE A 441 -2.356 -3.193 -6.291 1.00 0.00 N ATOM 290 CA ILE A 441 -2.600 -2.167 -5.285 1.00 0.00 C ATOM 291 C ILE A 441 -4.094 -1.975 -5.047 1.00 0.00 C ATOM 292 O ILE A 441 -4.520 -1.637 -3.942 1.00 0.00 O ATOM 293 CB ILE A 441 -1.979 -0.819 -5.694 1.00 0.00 C ATOM 294 CG1 ILE A 441 -0.464 -0.959 -5.860 1.00 0.00 C ATOM 295 CG2 ILE A 441 -2.307 0.250 -4.662 1.00 0.00 C ATOM 296 CD1 ILE A 441 0.175 0.206 -6.583 1.00 0.00 C ATOM 0 H ILE A 441 -1.611 -2.968 -6.951 1.00 0.00 H new ATOM 0 HA ILE A 441 -2.129 -2.510 -4.364 1.00 0.00 H new ATOM 0 HB ILE A 441 -2.404 -0.516 -6.651 1.00 0.00 H new ATOM 0 HG12 ILE A 441 -0.007 -1.060 -4.876 1.00 0.00 H new ATOM 0 HG13 ILE A 441 -0.250 -1.877 -6.407 1.00 0.00 H new ATOM 0 HG21 ILE A 441 -1.861 1.197 -4.965 1.00 0.00 H new ATOM 0 HG22 ILE A 441 -3.388 0.365 -4.588 1.00 0.00 H new ATOM 0 HG23 ILE A 441 -1.907 -0.046 -3.692 1.00 0.00 H new ATOM 0 HD11 ILE A 441 1.249 0.039 -6.664 1.00 0.00 H new ATOM 0 HD12 ILE A 441 -0.255 0.295 -7.581 1.00 0.00 H new ATOM 0 HD13 ILE A 441 -0.008 1.125 -6.026 1.00 0.00 H new ATOM 308 N THR A 442 -4.887 -2.193 -6.091 1.00 0.00 N ATOM 309 CA THR A 442 -6.334 -2.045 -5.997 1.00 0.00 C ATOM 310 C THR A 442 -7.021 -3.403 -5.907 1.00 0.00 C ATOM 311 O THR A 442 -8.045 -3.548 -5.241 1.00 0.00 O ATOM 312 CB THR A 442 -6.900 -1.274 -7.205 1.00 0.00 C ATOM 313 OG1 THR A 442 -6.479 -1.897 -8.424 1.00 0.00 O ATOM 314 CG2 THR A 442 -6.440 0.175 -7.186 1.00 0.00 C ATOM 0 H THR A 442 -4.551 -2.473 -7.013 1.00 0.00 H new ATOM 0 HA THR A 442 -6.535 -1.478 -5.088 1.00 0.00 H new ATOM 0 HB THR A 442 -7.988 -1.294 -7.143 1.00 0.00 H new ATOM 0 HG1 THR A 442 -5.795 -2.571 -8.228 1.00 0.00 H new ATOM 0 HG21 THR A 442 -6.852 0.699 -8.048 1.00 0.00 H new ATOM 0 HG22 THR A 442 -6.786 0.655 -6.270 1.00 0.00 H new ATOM 0 HG23 THR A 442 -5.351 0.212 -7.226 1.00 0.00 H new ATOM 322 N GLY A 443 -6.450 -4.396 -6.582 1.00 0.00 N ATOM 323 CA GLY A 443 -7.022 -5.729 -6.564 1.00 0.00 C ATOM 324 C GLY A 443 -7.476 -6.184 -7.937 1.00 0.00 C ATOM 325 O GLY A 443 -7.807 -7.353 -8.135 1.00 0.00 O ATOM 0 H GLY A 443 -5.602 -4.301 -7.141 1.00 0.00 H new ATOM 0 HA2 GLY A 443 -6.285 -6.432 -6.177 1.00 0.00 H new ATOM 0 HA3 GLY A 443 -7.870 -5.748 -5.880 1.00 0.00 H new ATOM 329 N PHE A 444 -7.494 -5.257 -8.890 1.00 0.00 N ATOM 330 CA PHE A 444 -7.914 -5.567 -10.251 1.00 0.00 C ATOM 331 C PHE A 444 -6.706 -5.768 -11.161 1.00 0.00 C ATOM 332 O PHE A 444 -6.121 -4.804 -11.657 1.00 0.00 O ATOM 333 CB PHE A 444 -8.801 -4.449 -10.802 1.00 0.00 C ATOM 334 CG PHE A 444 -9.484 -4.805 -12.091 1.00 0.00 C ATOM 335 CD1 PHE A 444 -8.760 -4.905 -13.269 1.00 0.00 C ATOM 336 CD2 PHE A 444 -10.849 -5.039 -12.127 1.00 0.00 C ATOM 337 CE1 PHE A 444 -9.385 -5.232 -14.457 1.00 0.00 C ATOM 338 CE2 PHE A 444 -11.480 -5.367 -13.312 1.00 0.00 C ATOM 339 CZ PHE A 444 -10.747 -5.464 -14.478 1.00 0.00 C ATOM 0 H PHE A 444 -7.222 -4.285 -8.744 1.00 0.00 H new ATOM 0 HA PHE A 444 -8.486 -6.495 -10.225 1.00 0.00 H new ATOM 0 HB2 PHE A 444 -9.556 -4.196 -10.058 1.00 0.00 H new ATOM 0 HB3 PHE A 444 -8.194 -3.557 -10.956 1.00 0.00 H new ATOM 0 HD1 PHE A 444 -7.695 -4.725 -13.258 1.00 0.00 H new ATOM 0 HD2 PHE A 444 -11.427 -4.964 -11.218 1.00 0.00 H new ATOM 0 HE1 PHE A 444 -8.810 -5.306 -15.368 1.00 0.00 H new ATOM 0 HE2 PHE A 444 -12.545 -5.547 -13.326 1.00 0.00 H new ATOM 0 HZ PHE A 444 -11.238 -5.721 -15.405 1.00 0.00 H new ATOM 349 N CYS A 445 -6.336 -7.026 -11.375 1.00 0.00 N ATOM 350 CA CYS A 445 -5.197 -7.355 -12.223 1.00 0.00 C ATOM 351 C CYS A 445 -5.548 -8.480 -13.193 1.00 0.00 C ATOM 352 O CYS A 445 -5.728 -9.628 -12.789 1.00 0.00 O ATOM 353 CB CYS A 445 -3.997 -7.762 -11.366 1.00 0.00 C ATOM 354 SG CYS A 445 -2.502 -8.168 -12.325 1.00 0.00 S ATOM 0 H CYS A 445 -6.809 -7.835 -10.972 1.00 0.00 H new ATOM 0 HA CYS A 445 -4.938 -6.468 -12.801 1.00 0.00 H new ATOM 0 HB2 CYS A 445 -3.764 -6.950 -10.677 1.00 0.00 H new ATOM 0 HB3 CYS A 445 -4.273 -8.625 -10.760 1.00 0.00 H new ATOM 0 HG CYS A 445 -2.487 -9.441 -12.588 1.00 0.00 H new ATOM 359 N ALA A 446 -5.644 -8.140 -14.474 1.00 0.00 N ATOM 360 CA ALA A 446 -5.971 -9.120 -15.502 1.00 0.00 C ATOM 361 C ALA A 446 -5.268 -10.448 -15.238 1.00 0.00 C ATOM 362 O ALA A 446 -5.906 -11.439 -14.884 1.00 0.00 O ATOM 363 CB ALA A 446 -5.598 -8.587 -16.877 1.00 0.00 C ATOM 0 H ALA A 446 -5.500 -7.193 -14.825 1.00 0.00 H new ATOM 0 HA ALA A 446 -7.046 -9.296 -15.472 1.00 0.00 H new ATOM 0 HB1 ALA A 446 -5.848 -9.329 -17.635 1.00 0.00 H new ATOM 0 HB2 ALA A 446 -6.150 -7.668 -17.073 1.00 0.00 H new ATOM 0 HB3 ALA A 446 -4.528 -8.381 -16.909 1.00 0.00 H new ATOM 369 N ARG A 447 -3.950 -10.459 -15.413 1.00 0.00 N ATOM 370 CA ARG A 447 -3.162 -11.666 -15.196 1.00 0.00 C ATOM 371 C ARG A 447 -2.945 -11.912 -13.706 1.00 0.00 C ATOM 372 O ARG A 447 -2.204 -11.182 -13.047 1.00 0.00 O ATOM 373 CB ARG A 447 -1.812 -11.553 -15.907 1.00 0.00 C ATOM 374 CG ARG A 447 -1.895 -11.770 -17.409 1.00 0.00 C ATOM 375 CD ARG A 447 -0.747 -11.086 -18.135 1.00 0.00 C ATOM 376 NE ARG A 447 -0.841 -11.246 -19.583 1.00 0.00 N ATOM 377 CZ ARG A 447 -0.301 -10.400 -20.453 1.00 0.00 C ATOM 378 NH1 ARG A 447 0.369 -9.340 -20.024 1.00 0.00 N ATOM 379 NH2 ARG A 447 -0.431 -10.615 -21.756 1.00 0.00 N ATOM 0 H ARG A 447 -3.406 -9.646 -15.704 1.00 0.00 H new ATOM 0 HA ARG A 447 -3.714 -12.510 -15.610 1.00 0.00 H new ATOM 0 HB2 ARG A 447 -1.390 -10.567 -15.714 1.00 0.00 H new ATOM 0 HB3 ARG A 447 -1.124 -12.283 -15.480 1.00 0.00 H new ATOM 0 HG2 ARG A 447 -1.878 -12.838 -17.625 1.00 0.00 H new ATOM 0 HG3 ARG A 447 -2.844 -11.384 -17.782 1.00 0.00 H new ATOM 0 HD2 ARG A 447 -0.743 -10.025 -17.887 1.00 0.00 H new ATOM 0 HD3 ARG A 447 0.200 -11.498 -17.786 1.00 0.00 H new ATOM 0 HE ARG A 447 -1.349 -12.052 -19.947 1.00 0.00 H new ATOM 0 HH11 ARG A 447 0.471 -9.172 -19.023 1.00 0.00 H new ATOM 0 HH12 ARG A 447 0.782 -8.692 -20.695 1.00 0.00 H new ATOM 0 HH21 ARG A 447 -0.946 -11.430 -22.090 1.00 0.00 H new ATOM 0 HH22 ARG A 447 -0.016 -9.965 -22.424 1.00 0.00 H new ATOM 393 N ALA A 448 -3.596 -12.945 -13.181 1.00 0.00 N ATOM 394 CA ALA A 448 -3.473 -13.289 -11.770 1.00 0.00 C ATOM 395 C ALA A 448 -2.195 -14.077 -11.506 1.00 0.00 C ATOM 396 O ALA A 448 -1.214 -13.535 -10.998 1.00 0.00 O ATOM 397 CB ALA A 448 -4.688 -14.081 -11.312 1.00 0.00 C ATOM 0 H ALA A 448 -4.214 -13.558 -13.712 1.00 0.00 H new ATOM 0 HA ALA A 448 -3.421 -12.362 -11.199 1.00 0.00 H new ATOM 0 HB1 ALA A 448 -4.582 -14.331 -10.256 1.00 0.00 H new ATOM 0 HB2 ALA A 448 -5.588 -13.482 -11.455 1.00 0.00 H new ATOM 0 HB3 ALA A 448 -4.766 -14.998 -11.896 1.00 0.00 H new ATOM 403 N GLU A 449 -2.214 -15.360 -11.854 1.00 0.00 N ATOM 404 CA GLU A 449 -1.056 -16.223 -11.652 1.00 0.00 C ATOM 405 C GLU A 449 -0.043 -16.046 -12.780 1.00 0.00 C ATOM 406 O GLU A 449 0.955 -16.763 -12.850 1.00 0.00 O ATOM 407 CB GLU A 449 -1.492 -17.688 -11.568 1.00 0.00 C ATOM 408 CG GLU A 449 -0.381 -18.629 -11.134 1.00 0.00 C ATOM 409 CD GLU A 449 -0.880 -20.036 -10.866 1.00 0.00 C ATOM 410 OE1 GLU A 449 -1.344 -20.693 -11.821 1.00 0.00 O ATOM 411 OE2 GLU A 449 -0.805 -20.479 -9.701 1.00 0.00 O ATOM 0 H GLU A 449 -3.018 -15.824 -12.277 1.00 0.00 H new ATOM 0 HA GLU A 449 -0.582 -15.938 -10.713 1.00 0.00 H new ATOM 0 HB2 GLU A 449 -2.322 -17.772 -10.867 1.00 0.00 H new ATOM 0 HB3 GLU A 449 -1.865 -18.004 -12.542 1.00 0.00 H new ATOM 0 HG2 GLU A 449 0.386 -18.661 -11.908 1.00 0.00 H new ATOM 0 HG3 GLU A 449 0.091 -18.237 -10.233 1.00 0.00 H new ATOM 418 N ASN A 450 -0.308 -15.087 -13.660 1.00 0.00 N ATOM 419 CA ASN A 450 0.579 -14.816 -14.785 1.00 0.00 C ATOM 420 C ASN A 450 1.418 -13.567 -14.529 1.00 0.00 C ATOM 421 O ASN A 450 2.461 -13.368 -15.151 1.00 0.00 O ATOM 422 CB ASN A 450 -0.232 -14.643 -16.071 1.00 0.00 C ATOM 423 CG ASN A 450 -0.415 -15.950 -16.819 1.00 0.00 C ATOM 424 OD1 ASN A 450 0.556 -16.575 -17.246 1.00 0.00 O ATOM 425 ND2 ASN A 450 -1.665 -16.368 -16.981 1.00 0.00 N ATOM 0 H ASN A 450 -1.130 -14.484 -13.616 1.00 0.00 H new ATOM 0 HA ASN A 450 1.251 -15.667 -14.898 1.00 0.00 H new ATOM 0 HB2 ASN A 450 -1.210 -14.227 -15.828 1.00 0.00 H new ATOM 0 HB3 ASN A 450 0.268 -13.924 -16.719 1.00 0.00 H new ATOM 0 HD21 ASN A 450 -1.851 -17.240 -17.476 1.00 0.00 H new ATOM 0 HD22 ASN A 450 -2.439 -15.817 -16.610 1.00 0.00 H new ATOM 432 N CYS A 451 0.955 -12.730 -13.607 1.00 0.00 N ATOM 433 CA CYS A 451 1.661 -11.500 -13.266 1.00 0.00 C ATOM 434 C CYS A 451 3.056 -11.805 -12.729 1.00 0.00 C ATOM 435 O CYS A 451 3.223 -12.336 -11.630 1.00 0.00 O ATOM 436 CB CYS A 451 0.867 -10.702 -12.230 1.00 0.00 C ATOM 437 SG CYS A 451 1.396 -8.967 -12.064 1.00 0.00 S ATOM 0 H CYS A 451 0.094 -12.881 -13.082 1.00 0.00 H new ATOM 0 HA CYS A 451 1.762 -10.905 -14.174 1.00 0.00 H new ATOM 0 HB2 CYS A 451 -0.189 -10.725 -12.501 1.00 0.00 H new ATOM 0 HB3 CYS A 451 0.958 -11.193 -11.261 1.00 0.00 H new ATOM 0 HG CYS A 451 1.031 -8.511 -10.902 1.00 0.00 H new ATOM 442 N PRO A 452 4.083 -11.463 -13.521 1.00 0.00 N ATOM 443 CA PRO A 452 5.482 -11.690 -13.146 1.00 0.00 C ATOM 444 C PRO A 452 5.931 -10.782 -12.006 1.00 0.00 C ATOM 445 O PRO A 452 7.099 -10.788 -11.618 1.00 0.00 O ATOM 446 CB PRO A 452 6.251 -11.359 -14.427 1.00 0.00 C ATOM 447 CG PRO A 452 5.367 -10.415 -15.166 1.00 0.00 C ATOM 448 CD PRO A 452 3.957 -10.828 -14.843 1.00 0.00 C ATOM 0 HA PRO A 452 5.647 -12.705 -12.783 1.00 0.00 H new ATOM 0 HB2 PRO A 452 7.216 -10.905 -14.203 1.00 0.00 H new ATOM 0 HB3 PRO A 452 6.449 -12.257 -15.013 1.00 0.00 H new ATOM 0 HG2 PRO A 452 5.552 -9.386 -14.859 1.00 0.00 H new ATOM 0 HG3 PRO A 452 5.552 -10.466 -16.239 1.00 0.00 H new ATOM 0 HD2 PRO A 452 3.284 -9.971 -14.815 1.00 0.00 H new ATOM 0 HD3 PRO A 452 3.561 -11.521 -15.586 1.00 0.00 H new ATOM 456 N TYR A 453 4.996 -10.004 -11.472 1.00 0.00 N ATOM 457 CA TYR A 453 5.296 -9.089 -10.378 1.00 0.00 C ATOM 458 C TYR A 453 4.868 -9.682 -9.039 1.00 0.00 C ATOM 459 O TYR A 453 4.315 -10.780 -8.982 1.00 0.00 O ATOM 460 CB TYR A 453 4.598 -7.746 -10.601 1.00 0.00 C ATOM 461 CG TYR A 453 5.250 -6.894 -11.666 1.00 0.00 C ATOM 462 CD1 TYR A 453 5.399 -7.364 -12.965 1.00 0.00 C ATOM 463 CD2 TYR A 453 5.718 -5.619 -11.373 1.00 0.00 C ATOM 464 CE1 TYR A 453 5.995 -6.589 -13.941 1.00 0.00 C ATOM 465 CE2 TYR A 453 6.314 -4.837 -12.343 1.00 0.00 C ATOM 466 CZ TYR A 453 6.450 -5.326 -13.625 1.00 0.00 C ATOM 467 OH TYR A 453 7.044 -4.550 -14.594 1.00 0.00 O ATOM 0 H TYR A 453 4.024 -9.989 -11.779 1.00 0.00 H new ATOM 0 HA TYR A 453 6.374 -8.930 -10.357 1.00 0.00 H new ATOM 0 HB2 TYR A 453 3.560 -7.927 -10.878 1.00 0.00 H new ATOM 0 HB3 TYR A 453 4.585 -7.192 -9.662 1.00 0.00 H new ATOM 0 HD1 TYR A 453 5.043 -8.352 -13.216 1.00 0.00 H new ATOM 0 HD2 TYR A 453 5.614 -5.233 -10.370 1.00 0.00 H new ATOM 0 HE1 TYR A 453 6.104 -6.970 -14.946 1.00 0.00 H new ATOM 0 HE2 TYR A 453 6.672 -3.848 -12.099 1.00 0.00 H new ATOM 0 HH TYR A 453 7.307 -3.689 -14.208 1.00 0.00 H new ATOM 477 N MET A 454 5.126 -8.945 -7.963 1.00 0.00 N ATOM 478 CA MET A 454 4.766 -9.397 -6.624 1.00 0.00 C ATOM 479 C MET A 454 3.376 -8.899 -6.238 1.00 0.00 C ATOM 480 O MET A 454 3.006 -7.764 -6.540 1.00 0.00 O ATOM 481 CB MET A 454 5.796 -8.909 -5.604 1.00 0.00 C ATOM 482 CG MET A 454 7.141 -9.608 -5.717 1.00 0.00 C ATOM 483 SD MET A 454 7.149 -11.230 -4.930 1.00 0.00 S ATOM 484 CE MET A 454 8.045 -10.871 -3.422 1.00 0.00 C ATOM 0 H MET A 454 5.582 -8.033 -7.992 1.00 0.00 H new ATOM 0 HA MET A 454 4.755 -10.487 -6.626 1.00 0.00 H new ATOM 0 HB2 MET A 454 5.941 -7.836 -5.731 1.00 0.00 H new ATOM 0 HB3 MET A 454 5.400 -9.060 -4.600 1.00 0.00 H new ATOM 0 HG2 MET A 454 7.402 -9.718 -6.770 1.00 0.00 H new ATOM 0 HG3 MET A 454 7.910 -8.984 -5.262 1.00 0.00 H new ATOM 0 HE1 MET A 454 8.395 -11.802 -2.976 1.00 0.00 H new ATOM 0 HE2 MET A 454 8.899 -10.234 -3.649 1.00 0.00 H new ATOM 0 HE3 MET A 454 7.386 -10.359 -2.721 1.00 0.00 H new ATOM 494 N HIS A 455 2.610 -9.756 -5.570 1.00 0.00 N ATOM 495 CA HIS A 455 1.261 -9.402 -5.143 1.00 0.00 C ATOM 496 C HIS A 455 1.128 -9.501 -3.626 1.00 0.00 C ATOM 497 O HIS A 455 1.117 -8.488 -2.927 1.00 0.00 O ATOM 498 CB HIS A 455 0.235 -10.314 -5.817 1.00 0.00 C ATOM 499 CG HIS A 455 -0.090 -9.913 -7.223 1.00 0.00 C ATOM 500 ND1 HIS A 455 -1.219 -10.345 -7.886 1.00 0.00 N ATOM 501 CD2 HIS A 455 0.572 -9.113 -8.091 1.00 0.00 C ATOM 502 CE1 HIS A 455 -1.236 -9.830 -9.103 1.00 0.00 C ATOM 503 NE2 HIS A 455 -0.161 -9.078 -9.252 1.00 0.00 N ATOM 0 H HIS A 455 2.900 -10.699 -5.313 1.00 0.00 H new ATOM 0 HA HIS A 455 1.071 -8.371 -5.440 1.00 0.00 H new ATOM 0 HB2 HIS A 455 0.614 -11.336 -5.818 1.00 0.00 H new ATOM 0 HB3 HIS A 455 -0.681 -10.315 -5.227 1.00 0.00 H new ATOM 0 HD1 HIS A 455 -1.930 -10.965 -7.498 1.00 0.00 H new ATOM 0 HD2 HIS A 455 1.503 -8.598 -7.905 1.00 0.00 H new ATOM 0 HE1 HIS A 455 -1.999 -9.996 -9.849 1.00 0.00 H new ATOM 511 N GLY A 456 1.027 -10.728 -3.124 1.00 0.00 N ATOM 512 CA GLY A 456 0.895 -10.935 -1.694 1.00 0.00 C ATOM 513 C GLY A 456 2.225 -10.854 -0.971 1.00 0.00 C ATOM 514 O GLY A 456 2.442 -9.957 -0.156 1.00 0.00 O ATOM 0 H GLY A 456 1.034 -11.582 -3.682 1.00 0.00 H new ATOM 0 HA2 GLY A 456 0.216 -10.188 -1.283 1.00 0.00 H new ATOM 0 HA3 GLY A 456 0.445 -11.911 -1.511 1.00 0.00 H new ATOM 518 N ASP A 457 3.116 -11.793 -1.268 1.00 0.00 N ATOM 519 CA ASP A 457 4.432 -11.824 -0.640 1.00 0.00 C ATOM 520 C ASP A 457 4.922 -10.412 -0.335 1.00 0.00 C ATOM 521 O ASP A 457 5.382 -10.129 0.772 1.00 0.00 O ATOM 522 CB ASP A 457 5.435 -12.540 -1.545 1.00 0.00 C ATOM 523 CG ASP A 457 6.638 -13.057 -0.780 1.00 0.00 C ATOM 524 OD1 ASP A 457 6.572 -13.108 0.465 1.00 0.00 O ATOM 525 OD2 ASP A 457 7.647 -13.410 -1.428 1.00 0.00 O ATOM 0 H ASP A 457 2.951 -12.543 -1.940 1.00 0.00 H new ATOM 0 HA ASP A 457 4.346 -12.370 0.299 1.00 0.00 H new ATOM 0 HB2 ASP A 457 4.940 -13.373 -2.044 1.00 0.00 H new ATOM 0 HB3 ASP A 457 5.770 -11.855 -2.324 1.00 0.00 H new ATOM 530 N PHE A 458 4.820 -9.529 -1.323 1.00 0.00 N ATOM 531 CA PHE A 458 5.255 -8.146 -1.160 1.00 0.00 C ATOM 532 C PHE A 458 4.866 -7.612 0.215 1.00 0.00 C ATOM 533 O PHE A 458 3.705 -7.658 0.622 1.00 0.00 O ATOM 534 CB PHE A 458 4.645 -7.266 -2.253 1.00 0.00 C ATOM 535 CG PHE A 458 5.369 -5.964 -2.447 1.00 0.00 C ATOM 536 CD1 PHE A 458 6.634 -5.937 -3.011 1.00 0.00 C ATOM 537 CD2 PHE A 458 4.783 -4.767 -2.067 1.00 0.00 C ATOM 538 CE1 PHE A 458 7.302 -4.741 -3.190 1.00 0.00 C ATOM 539 CE2 PHE A 458 5.446 -3.568 -2.244 1.00 0.00 C ATOM 540 CZ PHE A 458 6.707 -3.554 -2.807 1.00 0.00 C ATOM 0 H PHE A 458 4.440 -9.746 -2.244 1.00 0.00 H new ATOM 0 HA PHE A 458 6.341 -8.120 -1.246 1.00 0.00 H new ATOM 0 HB2 PHE A 458 4.645 -7.816 -3.194 1.00 0.00 H new ATOM 0 HB3 PHE A 458 3.604 -7.060 -2.004 1.00 0.00 H new ATOM 0 HD1 PHE A 458 7.103 -6.861 -3.314 1.00 0.00 H new ATOM 0 HD2 PHE A 458 3.797 -4.772 -1.627 1.00 0.00 H new ATOM 0 HE1 PHE A 458 8.289 -4.734 -3.629 1.00 0.00 H new ATOM 0 HE2 PHE A 458 4.979 -2.642 -1.942 1.00 0.00 H new ATOM 0 HZ PHE A 458 7.227 -2.618 -2.948 1.00 0.00 H new ATOM 550 N PRO A 459 5.861 -7.093 0.950 1.00 0.00 N ATOM 551 CA PRO A 459 5.648 -6.540 2.291 1.00 0.00 C ATOM 552 C PRO A 459 4.858 -5.236 2.262 1.00 0.00 C ATOM 553 O PRO A 459 4.847 -4.527 1.256 1.00 0.00 O ATOM 554 CB PRO A 459 7.070 -6.291 2.802 1.00 0.00 C ATOM 555 CG PRO A 459 7.889 -6.115 1.570 1.00 0.00 C ATOM 556 CD PRO A 459 7.269 -7.005 0.529 1.00 0.00 C ATOM 0 HA PRO A 459 5.065 -7.212 2.921 1.00 0.00 H new ATOM 0 HB2 PRO A 459 7.114 -5.406 3.436 1.00 0.00 H new ATOM 0 HB3 PRO A 459 7.429 -7.129 3.400 1.00 0.00 H new ATOM 0 HG2 PRO A 459 7.886 -5.075 1.245 1.00 0.00 H new ATOM 0 HG3 PRO A 459 8.928 -6.390 1.750 1.00 0.00 H new ATOM 0 HD2 PRO A 459 7.364 -6.581 -0.471 1.00 0.00 H new ATOM 0 HD3 PRO A 459 7.743 -7.986 0.505 1.00 0.00 H new ATOM 564 N CYS A 460 4.197 -4.926 3.372 1.00 0.00 N ATOM 565 CA CYS A 460 3.403 -3.707 3.474 1.00 0.00 C ATOM 566 C CYS A 460 4.302 -2.480 3.596 1.00 0.00 C ATOM 567 O CYS A 460 5.376 -2.541 4.194 1.00 0.00 O ATOM 568 CB CYS A 460 2.463 -3.785 4.679 1.00 0.00 C ATOM 569 SG CYS A 460 1.159 -2.513 4.689 1.00 0.00 S ATOM 0 H CYS A 460 4.195 -5.502 4.214 1.00 0.00 H new ATOM 0 HA CYS A 460 2.810 -3.613 2.564 1.00 0.00 H new ATOM 0 HB2 CYS A 460 1.995 -4.769 4.698 1.00 0.00 H new ATOM 0 HB3 CYS A 460 3.052 -3.694 5.592 1.00 0.00 H new ATOM 0 HG CYS A 460 -0.006 -3.086 4.760 1.00 0.00 H new ATOM 574 N LYS A 461 3.855 -1.368 3.023 1.00 0.00 N ATOM 575 CA LYS A 461 4.617 -0.125 3.067 1.00 0.00 C ATOM 576 C LYS A 461 4.440 0.574 4.411 1.00 0.00 C ATOM 577 O LYS A 461 5.372 0.645 5.213 1.00 0.00 O ATOM 578 CB LYS A 461 4.180 0.806 1.934 1.00 0.00 C ATOM 579 CG LYS A 461 4.976 2.097 1.866 1.00 0.00 C ATOM 580 CD LYS A 461 4.378 3.069 0.862 1.00 0.00 C ATOM 581 CE LYS A 461 4.800 4.501 1.153 1.00 0.00 C ATOM 582 NZ LYS A 461 6.239 4.729 0.847 1.00 0.00 N ATOM 0 H LYS A 461 2.969 -1.302 2.522 1.00 0.00 H new ATOM 0 HA LYS A 461 5.672 -0.370 2.941 1.00 0.00 H new ATOM 0 HB2 LYS A 461 4.277 0.279 0.985 1.00 0.00 H new ATOM 0 HB3 LYS A 461 3.124 1.046 2.059 1.00 0.00 H new ATOM 0 HG2 LYS A 461 5.003 2.561 2.852 1.00 0.00 H new ATOM 0 HG3 LYS A 461 6.007 1.876 1.590 1.00 0.00 H new ATOM 0 HD2 LYS A 461 4.693 2.793 -0.145 1.00 0.00 H new ATOM 0 HD3 LYS A 461 3.291 2.997 0.887 1.00 0.00 H new ATOM 0 HE2 LYS A 461 4.191 5.186 0.563 1.00 0.00 H new ATOM 0 HE3 LYS A 461 4.611 4.729 2.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 6.683 5.247 1.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 6.717 3.814 0.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 6.324 5.286 -0.027 1.00 0.00 H new ATOM 596 N LEU A 462 3.239 1.089 4.651 1.00 0.00 N ATOM 597 CA LEU A 462 2.939 1.782 5.899 1.00 0.00 C ATOM 598 C LEU A 462 3.497 1.016 7.095 1.00 0.00 C ATOM 599 O LEU A 462 4.318 1.536 7.850 1.00 0.00 O ATOM 600 CB LEU A 462 1.428 1.963 6.054 1.00 0.00 C ATOM 601 CG LEU A 462 0.806 3.114 5.264 1.00 0.00 C ATOM 602 CD1 LEU A 462 -0.703 3.135 5.449 1.00 0.00 C ATOM 603 CD2 LEU A 462 1.415 4.443 5.687 1.00 0.00 C ATOM 0 H LEU A 462 2.457 1.040 3.998 1.00 0.00 H new ATOM 0 HA LEU A 462 3.414 2.762 5.865 1.00 0.00 H new ATOM 0 HB2 LEU A 462 0.939 1.036 5.754 1.00 0.00 H new ATOM 0 HB3 LEU A 462 1.207 2.113 7.111 1.00 0.00 H new ATOM 0 HG LEU A 462 1.020 2.959 4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 462 -1.128 3.961 4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 462 -1.126 2.195 5.095 1.00 0.00 H new ATOM 0 HD13 LEU A 462 -0.938 3.264 6.505 1.00 0.00 H new ATOM 0 HD21 LEU A 462 0.960 5.251 5.114 1.00 0.00 H new ATOM 0 HD22 LEU A 462 1.233 4.605 6.749 1.00 0.00 H new ATOM 0 HD23 LEU A 462 2.489 4.427 5.501 1.00 0.00 H new ATOM 615 N TYR A 463 3.046 -0.223 7.259 1.00 0.00 N ATOM 616 CA TYR A 463 3.499 -1.061 8.363 1.00 0.00 C ATOM 617 C TYR A 463 4.993 -0.874 8.611 1.00 0.00 C ATOM 618 O TYR A 463 5.482 -1.091 9.720 1.00 0.00 O ATOM 619 CB TYR A 463 3.200 -2.532 8.070 1.00 0.00 C ATOM 620 CG TYR A 463 3.480 -3.451 9.237 1.00 0.00 C ATOM 621 CD1 TYR A 463 2.509 -3.700 10.199 1.00 0.00 C ATOM 622 CD2 TYR A 463 4.716 -4.071 9.378 1.00 0.00 C ATOM 623 CE1 TYR A 463 2.761 -4.539 11.268 1.00 0.00 C ATOM 624 CE2 TYR A 463 4.976 -4.912 10.443 1.00 0.00 C ATOM 625 CZ TYR A 463 3.995 -5.142 11.385 1.00 0.00 C ATOM 626 OH TYR A 463 4.250 -5.979 12.448 1.00 0.00 O ATOM 0 H TYR A 463 2.367 -0.669 6.642 1.00 0.00 H new ATOM 0 HA TYR A 463 2.959 -0.759 9.260 1.00 0.00 H new ATOM 0 HB2 TYR A 463 2.153 -2.631 7.783 1.00 0.00 H new ATOM 0 HB3 TYR A 463 3.796 -2.852 7.215 1.00 0.00 H new ATOM 0 HD1 TYR A 463 1.541 -3.230 10.110 1.00 0.00 H new ATOM 0 HD2 TYR A 463 5.486 -3.892 8.642 1.00 0.00 H new ATOM 0 HE1 TYR A 463 1.995 -4.721 12.008 1.00 0.00 H new ATOM 0 HE2 TYR A 463 5.942 -5.386 10.537 1.00 0.00 H new ATOM 0 HH TYR A 463 5.165 -6.323 12.381 1.00 0.00 H new ATOM 636 N HIS A 464 5.713 -0.469 7.569 1.00 0.00 N ATOM 637 CA HIS A 464 7.152 -0.251 7.673 1.00 0.00 C ATOM 638 C HIS A 464 7.464 1.231 7.861 1.00 0.00 C ATOM 639 O HIS A 464 8.203 1.610 8.771 1.00 0.00 O ATOM 640 CB HIS A 464 7.860 -0.779 6.426 1.00 0.00 C ATOM 641 CG HIS A 464 7.865 -2.274 6.327 1.00 0.00 C ATOM 642 ND1 HIS A 464 8.030 -3.099 7.420 1.00 0.00 N ATOM 643 CD2 HIS A 464 7.722 -3.091 5.258 1.00 0.00 C ATOM 644 CE1 HIS A 464 7.990 -4.360 7.026 1.00 0.00 C ATOM 645 NE2 HIS A 464 7.804 -4.382 5.719 1.00 0.00 N ATOM 0 H HIS A 464 5.324 -0.285 6.644 1.00 0.00 H new ATOM 0 HA HIS A 464 7.515 -0.794 8.545 1.00 0.00 H new ATOM 0 HB2 HIS A 464 7.376 -0.366 5.541 1.00 0.00 H new ATOM 0 HB3 HIS A 464 8.889 -0.420 6.423 1.00 0.00 H new ATOM 0 HD1 HIS A 464 8.162 -2.785 8.381 1.00 0.00 H new ATOM 0 HD2 HIS A 464 7.571 -2.785 4.233 1.00 0.00 H new ATOM 0 HE1 HIS A 464 8.092 -5.225 7.664 1.00 0.00 H new ATOM 653 N THR A 465 6.898 2.065 6.994 1.00 0.00 N ATOM 654 CA THR A 465 7.118 3.504 7.063 1.00 0.00 C ATOM 655 C THR A 465 7.232 3.974 8.509 1.00 0.00 C ATOM 656 O THR A 465 8.098 4.784 8.843 1.00 0.00 O ATOM 657 CB THR A 465 5.981 4.279 6.371 1.00 0.00 C ATOM 658 OG1 THR A 465 4.753 4.085 7.080 1.00 0.00 O ATOM 659 CG2 THR A 465 5.817 3.826 4.928 1.00 0.00 C ATOM 0 H THR A 465 6.284 1.768 6.236 1.00 0.00 H new ATOM 0 HA THR A 465 8.055 3.706 6.543 1.00 0.00 H new ATOM 0 HB THR A 465 6.238 5.338 6.375 1.00 0.00 H new ATOM 0 HG1 THR A 465 4.728 3.178 7.449 1.00 0.00 H new ATOM 0 HG21 THR A 465 5.008 4.387 4.460 1.00 0.00 H new ATOM 0 HG22 THR A 465 6.744 4.003 4.383 1.00 0.00 H new ATOM 0 HG23 THR A 465 5.581 2.762 4.905 1.00 0.00 H new ATOM 667 N THR A 466 6.353 3.461 9.364 1.00 0.00 N ATOM 668 CA THR A 466 6.355 3.829 10.774 1.00 0.00 C ATOM 669 C THR A 466 6.431 2.594 11.665 1.00 0.00 C ATOM 670 O THR A 466 7.035 2.625 12.736 1.00 0.00 O ATOM 671 CB THR A 466 5.098 4.638 11.146 1.00 0.00 C ATOM 672 OG1 THR A 466 3.923 3.945 10.711 1.00 0.00 O ATOM 673 CG2 THR A 466 5.139 6.022 10.515 1.00 0.00 C ATOM 0 H THR A 466 5.631 2.789 9.104 1.00 0.00 H new ATOM 0 HA THR A 466 7.238 4.447 10.937 1.00 0.00 H new ATOM 0 HB THR A 466 5.073 4.750 12.230 1.00 0.00 H new ATOM 0 HG1 THR A 466 3.128 4.465 10.953 1.00 0.00 H new ATOM 0 HG21 THR A 466 4.241 6.575 10.792 1.00 0.00 H new ATOM 0 HG22 THR A 466 6.019 6.558 10.870 1.00 0.00 H new ATOM 0 HG23 THR A 466 5.186 5.926 9.430 1.00 0.00 H new ATOM 681 N GLY A 467 5.816 1.505 11.213 1.00 0.00 N ATOM 682 CA GLY A 467 5.827 0.274 11.981 1.00 0.00 C ATOM 683 C GLY A 467 4.463 -0.385 12.041 1.00 0.00 C ATOM 684 O GLY A 467 4.355 -1.609 11.988 1.00 0.00 O ATOM 0 H GLY A 467 5.310 1.454 10.329 1.00 0.00 H new ATOM 0 HA2 GLY A 467 6.543 -0.419 11.540 1.00 0.00 H new ATOM 0 HA3 GLY A 467 6.170 0.485 12.994 1.00 0.00 H new ATOM 688 N ASN A 468 3.419 0.430 12.153 1.00 0.00 N ATOM 689 CA ASN A 468 2.055 -0.082 12.223 1.00 0.00 C ATOM 690 C ASN A 468 1.295 0.217 10.933 1.00 0.00 C ATOM 691 O ASN A 468 1.736 1.023 10.113 1.00 0.00 O ATOM 692 CB ASN A 468 1.318 0.532 13.415 1.00 0.00 C ATOM 693 CG ASN A 468 0.145 -0.316 13.868 1.00 0.00 C ATOM 694 OD1 ASN A 468 0.307 -1.487 14.211 1.00 0.00 O ATOM 695 ND2 ASN A 468 -1.045 0.274 13.870 1.00 0.00 N ATOM 0 H ASN A 468 3.491 1.446 12.197 1.00 0.00 H new ATOM 0 HA ASN A 468 2.106 -1.163 12.353 1.00 0.00 H new ATOM 0 HB2 ASN A 468 2.014 0.657 14.244 1.00 0.00 H new ATOM 0 HB3 ASN A 468 0.962 1.526 13.146 1.00 0.00 H new ATOM 0 HD21 ASN A 468 -1.872 -0.246 14.164 1.00 0.00 H new ATOM 0 HD22 ASN A 468 -1.132 1.247 13.577 1.00 0.00 H new ATOM 702 N CYS A 469 0.151 -0.437 10.762 1.00 0.00 N ATOM 703 CA CYS A 469 -0.670 -0.242 9.574 1.00 0.00 C ATOM 704 C CYS A 469 -2.102 0.124 9.956 1.00 0.00 C ATOM 705 O CYS A 469 -2.713 -0.525 10.805 1.00 0.00 O ATOM 706 CB CYS A 469 -0.669 -1.508 8.714 1.00 0.00 C ATOM 707 SG CYS A 469 -1.213 -1.240 6.996 1.00 0.00 S ATOM 0 H CYS A 469 -0.228 -1.107 11.431 1.00 0.00 H new ATOM 0 HA CYS A 469 -0.244 0.580 9.000 1.00 0.00 H new ATOM 0 HB2 CYS A 469 0.337 -1.927 8.704 1.00 0.00 H new ATOM 0 HB3 CYS A 469 -1.319 -2.250 9.178 1.00 0.00 H new ATOM 0 HG CYS A 469 -0.321 -1.716 6.179 1.00 0.00 H new ATOM 712 N ILE A 470 -2.628 1.168 9.324 1.00 0.00 N ATOM 713 CA ILE A 470 -3.987 1.619 9.597 1.00 0.00 C ATOM 714 C ILE A 470 -5.009 0.768 8.851 1.00 0.00 C ATOM 715 O ILE A 470 -6.141 1.195 8.626 1.00 0.00 O ATOM 716 CB ILE A 470 -4.179 3.095 9.202 1.00 0.00 C ATOM 717 CG1 ILE A 470 -5.406 3.678 9.906 1.00 0.00 C ATOM 718 CG2 ILE A 470 -4.316 3.226 7.692 1.00 0.00 C ATOM 719 CD1 ILE A 470 -5.149 4.068 11.345 1.00 0.00 C ATOM 0 H ILE A 470 -2.134 1.717 8.620 1.00 0.00 H new ATOM 0 HA ILE A 470 -4.145 1.514 10.670 1.00 0.00 H new ATOM 0 HB ILE A 470 -3.300 3.658 9.518 1.00 0.00 H new ATOM 0 HG12 ILE A 470 -5.748 4.555 9.356 1.00 0.00 H new ATOM 0 HG13 ILE A 470 -6.214 2.947 9.875 1.00 0.00 H new ATOM 0 HG21 ILE A 470 -4.451 4.275 7.429 1.00 0.00 H new ATOM 0 HG22 ILE A 470 -3.416 2.844 7.210 1.00 0.00 H new ATOM 0 HG23 ILE A 470 -5.179 2.653 7.354 1.00 0.00 H new ATOM 0 HD11 ILE A 470 -6.062 4.473 11.781 1.00 0.00 H new ATOM 0 HD12 ILE A 470 -4.836 3.190 11.910 1.00 0.00 H new ATOM 0 HD13 ILE A 470 -4.363 4.822 11.383 1.00 0.00 H new ATOM 731 N ASN A 471 -4.603 -0.440 8.473 1.00 0.00 N ATOM 732 CA ASN A 471 -5.484 -1.353 7.754 1.00 0.00 C ATOM 733 C ASN A 471 -6.085 -2.387 8.701 1.00 0.00 C ATOM 734 O ASN A 471 -7.289 -2.641 8.676 1.00 0.00 O ATOM 735 CB ASN A 471 -4.718 -2.057 6.633 1.00 0.00 C ATOM 736 CG ASN A 471 -4.758 -1.281 5.330 1.00 0.00 C ATOM 737 OD1 ASN A 471 -5.779 -0.692 4.977 1.00 0.00 O ATOM 738 ND2 ASN A 471 -3.643 -1.279 4.608 1.00 0.00 N ATOM 0 H ASN A 471 -3.669 -0.809 8.653 1.00 0.00 H new ATOM 0 HA ASN A 471 -6.295 -0.769 7.320 1.00 0.00 H new ATOM 0 HB2 ASN A 471 -3.681 -2.197 6.938 1.00 0.00 H new ATOM 0 HB3 ASN A 471 -5.141 -3.049 6.475 1.00 0.00 H new ATOM 0 HD21 ASN A 471 -3.610 -0.775 3.722 1.00 0.00 H new ATOM 0 HD22 ASN A 471 -2.820 -1.781 4.940 1.00 0.00 H new ATOM 745 N GLY A 472 -5.238 -2.980 9.537 1.00 0.00 N ATOM 746 CA GLY A 472 -5.704 -3.979 10.480 1.00 0.00 C ATOM 747 C GLY A 472 -5.131 -5.354 10.199 1.00 0.00 C ATOM 748 O GLY A 472 -4.443 -5.555 9.198 1.00 0.00 O ATOM 0 H GLY A 472 -4.237 -2.786 9.578 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -5.432 -3.675 11.491 1.00 0.00 H new ATOM 0 HA3 GLY A 472 -6.792 -4.028 10.444 1.00 0.00 H new ATOM 752 N ASP A 473 -5.414 -6.303 11.085 1.00 0.00 N ATOM 753 CA ASP A 473 -4.922 -7.667 10.927 1.00 0.00 C ATOM 754 C ASP A 473 -5.377 -8.259 9.597 1.00 0.00 C ATOM 755 O ASP A 473 -4.825 -9.254 9.127 1.00 0.00 O ATOM 756 CB ASP A 473 -5.407 -8.544 12.082 1.00 0.00 C ATOM 757 CG ASP A 473 -4.732 -8.198 13.395 1.00 0.00 C ATOM 758 OD1 ASP A 473 -4.353 -7.022 13.575 1.00 0.00 O ATOM 759 OD2 ASP A 473 -4.581 -9.104 14.242 1.00 0.00 O ATOM 0 H ASP A 473 -5.981 -6.153 11.919 1.00 0.00 H new ATOM 0 HA ASP A 473 -3.832 -7.637 10.937 1.00 0.00 H new ATOM 0 HB2 ASP A 473 -6.486 -8.432 12.191 1.00 0.00 H new ATOM 0 HB3 ASP A 473 -5.217 -9.591 11.844 1.00 0.00 H new ATOM 764 N ASP A 474 -6.387 -7.641 8.995 1.00 0.00 N ATOM 765 CA ASP A 474 -6.917 -8.106 7.719 1.00 0.00 C ATOM 766 C ASP A 474 -6.401 -7.246 6.570 1.00 0.00 C ATOM 767 O ASP A 474 -7.156 -6.871 5.672 1.00 0.00 O ATOM 768 CB ASP A 474 -8.446 -8.087 7.739 1.00 0.00 C ATOM 769 CG ASP A 474 -9.003 -6.729 8.119 1.00 0.00 C ATOM 770 OD1 ASP A 474 -8.889 -5.792 7.302 1.00 0.00 O ATOM 771 OD2 ASP A 474 -9.553 -6.603 9.233 1.00 0.00 O ATOM 0 H ASP A 474 -6.855 -6.816 9.371 1.00 0.00 H new ATOM 0 HA ASP A 474 -6.576 -9.130 7.565 1.00 0.00 H new ATOM 0 HB2 ASP A 474 -8.823 -8.369 6.756 1.00 0.00 H new ATOM 0 HB3 ASP A 474 -8.807 -8.835 8.445 1.00 0.00 H new ATOM 776 N CYS A 475 -5.109 -6.934 6.604 1.00 0.00 N ATOM 777 CA CYS A 475 -4.491 -6.117 5.568 1.00 0.00 C ATOM 778 C CYS A 475 -4.318 -6.913 4.278 1.00 0.00 C ATOM 779 O CYS A 475 -4.076 -8.119 4.309 1.00 0.00 O ATOM 780 CB CYS A 475 -3.134 -5.593 6.043 1.00 0.00 C ATOM 781 SG CYS A 475 -2.366 -4.388 4.914 1.00 0.00 S ATOM 0 H CYS A 475 -4.470 -7.236 7.339 1.00 0.00 H new ATOM 0 HA CYS A 475 -5.149 -5.272 5.367 1.00 0.00 H new ATOM 0 HB2 CYS A 475 -3.258 -5.130 7.022 1.00 0.00 H new ATOM 0 HB3 CYS A 475 -2.456 -6.437 6.173 1.00 0.00 H new ATOM 0 HG CYS A 475 -1.889 -3.393 5.601 1.00 0.00 H new ATOM 786 N MET A 476 -4.445 -6.229 3.145 1.00 0.00 N ATOM 787 CA MET A 476 -4.301 -6.873 1.844 1.00 0.00 C ATOM 788 C MET A 476 -2.844 -7.238 1.577 1.00 0.00 C ATOM 789 O MET A 476 -2.554 -8.117 0.765 1.00 0.00 O ATOM 790 CB MET A 476 -4.820 -5.953 0.737 1.00 0.00 C ATOM 791 CG MET A 476 -3.939 -4.739 0.493 1.00 0.00 C ATOM 792 SD MET A 476 -2.497 -5.119 -0.521 1.00 0.00 S ATOM 793 CE MET A 476 -3.227 -5.129 -2.157 1.00 0.00 C ATOM 0 H MET A 476 -4.647 -5.230 3.102 1.00 0.00 H new ATOM 0 HA MET A 476 -4.891 -7.790 1.852 1.00 0.00 H new ATOM 0 HB2 MET A 476 -4.904 -6.523 -0.188 1.00 0.00 H new ATOM 0 HB3 MET A 476 -5.824 -5.617 0.996 1.00 0.00 H new ATOM 0 HG2 MET A 476 -4.526 -3.961 0.005 1.00 0.00 H new ATOM 0 HG3 MET A 476 -3.609 -4.336 1.451 1.00 0.00 H new ATOM 0 HE1 MET A 476 -2.440 -5.047 -2.907 1.00 0.00 H new ATOM 0 HE2 MET A 476 -3.775 -6.060 -2.305 1.00 0.00 H new ATOM 0 HE3 MET A 476 -3.911 -4.286 -2.255 1.00 0.00 H new ATOM 803 N PHE A 477 -1.933 -6.558 2.264 1.00 0.00 N ATOM 804 CA PHE A 477 -0.506 -6.811 2.099 1.00 0.00 C ATOM 805 C PHE A 477 0.027 -7.681 3.234 1.00 0.00 C ATOM 806 O PHE A 477 -0.578 -7.765 4.303 1.00 0.00 O ATOM 807 CB PHE A 477 0.265 -5.490 2.048 1.00 0.00 C ATOM 808 CG PHE A 477 0.212 -4.816 0.707 1.00 0.00 C ATOM 809 CD1 PHE A 477 0.572 -5.501 -0.442 1.00 0.00 C ATOM 810 CD2 PHE A 477 -0.198 -3.497 0.596 1.00 0.00 C ATOM 811 CE1 PHE A 477 0.524 -4.883 -1.678 1.00 0.00 C ATOM 812 CE2 PHE A 477 -0.248 -2.875 -0.637 1.00 0.00 C ATOM 813 CZ PHE A 477 0.114 -3.568 -1.775 1.00 0.00 C ATOM 0 H PHE A 477 -2.157 -5.828 2.940 1.00 0.00 H new ATOM 0 HA PHE A 477 -0.363 -7.344 1.159 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -0.139 -4.814 2.802 1.00 0.00 H new ATOM 0 HB3 PHE A 477 1.306 -5.676 2.311 1.00 0.00 H new ATOM 0 HD1 PHE A 477 0.894 -6.530 -0.372 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -0.481 -2.949 1.483 1.00 0.00 H new ATOM 0 HE1 PHE A 477 0.807 -5.428 -2.566 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -0.570 -1.847 -0.710 1.00 0.00 H new ATOM 0 HZ PHE A 477 0.077 -3.083 -2.739 1.00 0.00 H new ATOM 823 N SER A 478 1.163 -8.327 2.992 1.00 0.00 N ATOM 824 CA SER A 478 1.776 -9.194 3.992 1.00 0.00 C ATOM 825 C SER A 478 2.546 -8.375 5.023 1.00 0.00 C ATOM 826 O SER A 478 3.276 -7.446 4.676 1.00 0.00 O ATOM 827 CB SER A 478 2.713 -10.199 3.319 1.00 0.00 C ATOM 828 OG SER A 478 1.981 -11.223 2.667 1.00 0.00 O ATOM 0 H SER A 478 1.677 -8.267 2.113 1.00 0.00 H new ATOM 0 HA SER A 478 0.981 -9.735 4.505 1.00 0.00 H new ATOM 0 HB2 SER A 478 3.345 -9.683 2.596 1.00 0.00 H new ATOM 0 HB3 SER A 478 3.375 -10.639 4.065 1.00 0.00 H new ATOM 0 HG SER A 478 1.969 -11.053 1.702 1.00 0.00 H new ATOM 834 N HIS A 479 2.377 -8.727 6.294 1.00 0.00 N ATOM 835 CA HIS A 479 3.056 -8.025 7.378 1.00 0.00 C ATOM 836 C HIS A 479 4.269 -8.815 7.861 1.00 0.00 C ATOM 837 O HIS A 479 4.705 -8.665 9.003 1.00 0.00 O ATOM 838 CB HIS A 479 2.093 -7.785 8.540 1.00 0.00 C ATOM 839 CG HIS A 479 1.175 -6.621 8.327 1.00 0.00 C ATOM 840 ND1 HIS A 479 0.232 -6.227 9.252 1.00 0.00 N ATOM 841 CD2 HIS A 479 1.061 -5.762 7.287 1.00 0.00 C ATOM 842 CE1 HIS A 479 -0.424 -5.177 8.789 1.00 0.00 C ATOM 843 NE2 HIS A 479 0.060 -4.875 7.598 1.00 0.00 N ATOM 0 H HIS A 479 1.776 -9.493 6.598 1.00 0.00 H new ATOM 0 HA HIS A 479 3.399 -7.063 6.996 1.00 0.00 H new ATOM 0 HB2 HIS A 479 1.496 -8.683 8.698 1.00 0.00 H new ATOM 0 HB3 HIS A 479 2.669 -7.621 9.451 1.00 0.00 H new ATOM 0 HD2 HIS A 479 1.648 -5.772 6.381 1.00 0.00 H new ATOM 0 HE1 HIS A 479 -1.220 -4.655 9.298 1.00 0.00 H new ATOM 0 HE2 HIS A 479 -0.258 -4.108 7.006 1.00 0.00 H new ATOM 851 N ASP A 480 4.807 -9.657 6.986 1.00 0.00 N ATOM 852 CA ASP A 480 5.969 -10.471 7.323 1.00 0.00 C ATOM 853 C ASP A 480 7.176 -9.592 7.637 1.00 0.00 C ATOM 854 O ASP A 480 7.293 -8.463 7.160 1.00 0.00 O ATOM 855 CB ASP A 480 6.302 -11.424 6.174 1.00 0.00 C ATOM 856 CG ASP A 480 6.529 -10.695 4.864 1.00 0.00 C ATOM 857 OD1 ASP A 480 6.015 -9.566 4.717 1.00 0.00 O ATOM 858 OD2 ASP A 480 7.219 -11.253 3.986 1.00 0.00 O ATOM 0 H ASP A 480 4.457 -9.794 6.038 1.00 0.00 H new ATOM 0 HA ASP A 480 5.727 -11.055 8.211 1.00 0.00 H new ATOM 0 HB2 ASP A 480 7.195 -11.996 6.427 1.00 0.00 H new ATOM 0 HB3 ASP A 480 5.489 -12.139 6.052 1.00 0.00 H new ATOM 863 N PRO A 481 8.095 -10.119 8.459 1.00 0.00 N ATOM 864 CA PRO A 481 9.309 -9.399 8.855 1.00 0.00 C ATOM 865 C PRO A 481 10.291 -9.239 7.700 1.00 0.00 C ATOM 866 O PRO A 481 10.763 -10.225 7.132 1.00 0.00 O ATOM 867 CB PRO A 481 9.908 -10.288 9.948 1.00 0.00 C ATOM 868 CG PRO A 481 9.392 -11.654 9.650 1.00 0.00 C ATOM 869 CD PRO A 481 8.020 -11.459 9.065 1.00 0.00 C ATOM 0 HA PRO A 481 9.091 -8.383 9.185 1.00 0.00 H new ATOM 0 HB2 PRO A 481 10.997 -10.263 9.926 1.00 0.00 H new ATOM 0 HB3 PRO A 481 9.601 -9.957 10.940 1.00 0.00 H new ATOM 0 HG2 PRO A 481 10.045 -12.174 8.949 1.00 0.00 H new ATOM 0 HG3 PRO A 481 9.348 -12.261 10.554 1.00 0.00 H new ATOM 0 HD2 PRO A 481 7.787 -12.223 8.323 1.00 0.00 H new ATOM 0 HD3 PRO A 481 7.246 -11.511 9.830 1.00 0.00 H new ATOM 877 N LEU A 482 10.597 -7.993 7.358 1.00 0.00 N ATOM 878 CA LEU A 482 11.524 -7.704 6.270 1.00 0.00 C ATOM 879 C LEU A 482 12.715 -8.656 6.302 1.00 0.00 C ATOM 880 O LEU A 482 13.193 -9.035 7.372 1.00 0.00 O ATOM 881 CB LEU A 482 12.012 -6.257 6.360 1.00 0.00 C ATOM 882 CG LEU A 482 10.977 -5.178 6.037 1.00 0.00 C ATOM 883 CD1 LEU A 482 11.564 -3.792 6.255 1.00 0.00 C ATOM 884 CD2 LEU A 482 10.478 -5.329 4.607 1.00 0.00 C ATOM 0 H LEU A 482 10.217 -7.166 7.819 1.00 0.00 H new ATOM 0 HA LEU A 482 10.994 -7.845 5.328 1.00 0.00 H new ATOM 0 HB2 LEU A 482 12.386 -6.083 7.369 1.00 0.00 H new ATOM 0 HB3 LEU A 482 12.857 -6.137 5.682 1.00 0.00 H new ATOM 0 HG LEU A 482 10.130 -5.301 6.712 1.00 0.00 H new ATOM 0 HD11 LEU A 482 10.813 -3.038 6.020 1.00 0.00 H new ATOM 0 HD12 LEU A 482 11.871 -3.687 7.295 1.00 0.00 H new ATOM 0 HD13 LEU A 482 12.429 -3.657 5.606 1.00 0.00 H new ATOM 0 HD21 LEU A 482 9.742 -4.553 4.394 1.00 0.00 H new ATOM 0 HD22 LEU A 482 11.316 -5.233 3.917 1.00 0.00 H new ATOM 0 HD23 LEU A 482 10.017 -6.309 4.484 1.00 0.00 H new ATOM 896 N THR A 483 13.192 -9.039 5.121 1.00 0.00 N ATOM 897 CA THR A 483 14.328 -9.947 5.014 1.00 0.00 C ATOM 898 C THR A 483 15.280 -9.507 3.908 1.00 0.00 C ATOM 899 O THR A 483 14.911 -8.723 3.035 1.00 0.00 O ATOM 900 CB THR A 483 13.869 -11.391 4.736 1.00 0.00 C ATOM 901 OG1 THR A 483 12.851 -11.396 3.728 1.00 0.00 O ATOM 902 CG2 THR A 483 13.337 -12.043 6.003 1.00 0.00 C ATOM 0 H THR A 483 12.809 -8.735 4.226 1.00 0.00 H new ATOM 0 HA THR A 483 14.848 -9.917 5.971 1.00 0.00 H new ATOM 0 HB THR A 483 14.730 -11.961 4.386 1.00 0.00 H new ATOM 0 HG1 THR A 483 12.565 -12.318 3.556 1.00 0.00 H new ATOM 0 HG21 THR A 483 13.019 -13.062 5.782 1.00 0.00 H new ATOM 0 HG22 THR A 483 14.122 -12.064 6.759 1.00 0.00 H new ATOM 0 HG23 THR A 483 12.488 -11.471 6.378 1.00 0.00 H new ATOM 910 N GLU A 484 16.508 -10.016 3.953 1.00 0.00 N ATOM 911 CA GLU A 484 17.513 -9.674 2.954 1.00 0.00 C ATOM 912 C GLU A 484 16.891 -9.591 1.563 1.00 0.00 C ATOM 913 O GLU A 484 17.286 -8.761 0.745 1.00 0.00 O ATOM 914 CB GLU A 484 18.641 -10.708 2.959 1.00 0.00 C ATOM 915 CG GLU A 484 19.691 -10.468 1.887 1.00 0.00 C ATOM 916 CD GLU A 484 20.519 -11.704 1.595 1.00 0.00 C ATOM 917 OE1 GLU A 484 19.923 -12.785 1.405 1.00 0.00 O ATOM 918 OE2 GLU A 484 21.762 -11.591 1.556 1.00 0.00 O ATOM 0 H GLU A 484 16.830 -10.666 4.670 1.00 0.00 H new ATOM 0 HA GLU A 484 17.924 -8.697 3.209 1.00 0.00 H new ATOM 0 HB2 GLU A 484 19.124 -10.702 3.936 1.00 0.00 H new ATOM 0 HB3 GLU A 484 18.213 -11.701 2.821 1.00 0.00 H new ATOM 0 HG2 GLU A 484 19.201 -10.139 0.971 1.00 0.00 H new ATOM 0 HG3 GLU A 484 20.350 -9.660 2.204 1.00 0.00 H new ATOM 925 N GLU A 485 15.917 -10.458 1.304 1.00 0.00 N ATOM 926 CA GLU A 485 15.242 -10.483 0.011 1.00 0.00 C ATOM 927 C GLU A 485 14.183 -9.388 -0.070 1.00 0.00 C ATOM 928 O GLU A 485 14.328 -8.421 -0.820 1.00 0.00 O ATOM 929 CB GLU A 485 14.597 -11.850 -0.226 1.00 0.00 C ATOM 930 CG GLU A 485 15.598 -12.991 -0.298 1.00 0.00 C ATOM 931 CD GLU A 485 16.225 -13.304 1.047 1.00 0.00 C ATOM 932 OE1 GLU A 485 15.479 -13.376 2.046 1.00 0.00 O ATOM 933 OE2 GLU A 485 17.460 -13.477 1.099 1.00 0.00 O ATOM 0 H GLU A 485 15.578 -11.151 1.971 1.00 0.00 H new ATOM 0 HA GLU A 485 15.987 -10.302 -0.763 1.00 0.00 H new ATOM 0 HB2 GLU A 485 13.887 -12.051 0.576 1.00 0.00 H new ATOM 0 HB3 GLU A 485 14.028 -11.818 -1.155 1.00 0.00 H new ATOM 0 HG2 GLU A 485 15.100 -13.883 -0.679 1.00 0.00 H new ATOM 0 HG3 GLU A 485 16.383 -12.736 -1.010 1.00 0.00 H new ATOM 940 N THR A 486 13.115 -9.546 0.706 1.00 0.00 N ATOM 941 CA THR A 486 12.030 -8.573 0.721 1.00 0.00 C ATOM 942 C THR A 486 12.557 -7.165 0.976 1.00 0.00 C ATOM 943 O THR A 486 12.307 -6.248 0.194 1.00 0.00 O ATOM 944 CB THR A 486 10.981 -8.918 1.796 1.00 0.00 C ATOM 945 OG1 THR A 486 11.633 -9.336 3.000 1.00 0.00 O ATOM 946 CG2 THR A 486 10.050 -10.018 1.309 1.00 0.00 C ATOM 0 H THR A 486 12.979 -10.339 1.333 1.00 0.00 H new ATOM 0 HA THR A 486 11.559 -8.610 -0.261 1.00 0.00 H new ATOM 0 HB THR A 486 10.389 -8.025 1.995 1.00 0.00 H new ATOM 0 HG1 THR A 486 11.841 -10.292 2.944 1.00 0.00 H new ATOM 0 HG21 THR A 486 9.318 -10.245 2.084 1.00 0.00 H new ATOM 0 HG22 THR A 486 9.534 -9.685 0.409 1.00 0.00 H new ATOM 0 HG23 THR A 486 10.630 -10.913 1.085 1.00 0.00 H new ATOM 954 N ARG A 487 13.288 -7.002 2.074 1.00 0.00 N ATOM 955 CA ARG A 487 13.850 -5.704 2.431 1.00 0.00 C ATOM 956 C ARG A 487 14.355 -4.971 1.192 1.00 0.00 C ATOM 957 O ARG A 487 14.041 -3.800 0.982 1.00 0.00 O ATOM 958 CB ARG A 487 14.991 -5.878 3.435 1.00 0.00 C ATOM 959 CG ARG A 487 15.150 -4.704 4.386 1.00 0.00 C ATOM 960 CD ARG A 487 15.688 -3.475 3.669 1.00 0.00 C ATOM 961 NE ARG A 487 15.764 -2.315 4.553 1.00 0.00 N ATOM 962 CZ ARG A 487 16.845 -1.998 5.257 1.00 0.00 C ATOM 963 NH1 ARG A 487 17.935 -2.749 5.180 1.00 0.00 N ATOM 964 NH2 ARG A 487 16.837 -0.926 6.040 1.00 0.00 N ATOM 0 H ARG A 487 13.505 -7.751 2.731 1.00 0.00 H new ATOM 0 HA ARG A 487 13.061 -5.107 2.888 1.00 0.00 H new ATOM 0 HB2 ARG A 487 14.818 -6.784 4.016 1.00 0.00 H new ATOM 0 HB3 ARG A 487 15.924 -6.022 2.890 1.00 0.00 H new ATOM 0 HG2 ARG A 487 14.187 -4.469 4.840 1.00 0.00 H new ATOM 0 HG3 ARG A 487 15.826 -4.979 5.196 1.00 0.00 H new ATOM 0 HD2 ARG A 487 16.679 -3.693 3.271 1.00 0.00 H new ATOM 0 HD3 ARG A 487 15.047 -3.242 2.819 1.00 0.00 H new ATOM 0 HE ARG A 487 14.943 -1.716 4.634 1.00 0.00 H new ATOM 0 HH11 ARG A 487 17.945 -3.573 4.579 1.00 0.00 H new ATOM 0 HH12 ARG A 487 18.763 -2.503 5.722 1.00 0.00 H new ATOM 0 HH21 ARG A 487 16.001 -0.345 6.101 1.00 0.00 H new ATOM 0 HH22 ARG A 487 17.667 -0.683 6.580 1.00 0.00 H new ATOM 978 N GLU A 488 15.138 -5.669 0.376 1.00 0.00 N ATOM 979 CA GLU A 488 15.687 -5.082 -0.841 1.00 0.00 C ATOM 980 C GLU A 488 14.584 -4.454 -1.688 1.00 0.00 C ATOM 981 O GLU A 488 14.769 -3.389 -2.278 1.00 0.00 O ATOM 982 CB GLU A 488 16.428 -6.144 -1.656 1.00 0.00 C ATOM 983 CG GLU A 488 17.853 -6.387 -1.187 1.00 0.00 C ATOM 984 CD GLU A 488 18.802 -5.283 -1.611 1.00 0.00 C ATOM 985 OE1 GLU A 488 18.999 -5.107 -2.832 1.00 0.00 O ATOM 986 OE2 GLU A 488 19.348 -4.596 -0.723 1.00 0.00 O ATOM 0 H GLU A 488 15.406 -6.640 0.535 1.00 0.00 H new ATOM 0 HA GLU A 488 16.389 -4.300 -0.552 1.00 0.00 H new ATOM 0 HB2 GLU A 488 15.873 -7.081 -1.606 1.00 0.00 H new ATOM 0 HB3 GLU A 488 16.446 -5.840 -2.703 1.00 0.00 H new ATOM 0 HG2 GLU A 488 17.864 -6.474 -0.101 1.00 0.00 H new ATOM 0 HG3 GLU A 488 18.206 -7.338 -1.586 1.00 0.00 H new ATOM 993 N LEU A 489 13.436 -5.121 -1.743 1.00 0.00 N ATOM 994 CA LEU A 489 12.302 -4.629 -2.518 1.00 0.00 C ATOM 995 C LEU A 489 12.016 -3.165 -2.196 1.00 0.00 C ATOM 996 O LEU A 489 12.172 -2.289 -3.047 1.00 0.00 O ATOM 997 CB LEU A 489 11.061 -5.477 -2.236 1.00 0.00 C ATOM 998 CG LEU A 489 11.216 -6.984 -2.444 1.00 0.00 C ATOM 999 CD1 LEU A 489 9.913 -7.703 -2.131 1.00 0.00 C ATOM 1000 CD2 LEU A 489 11.663 -7.283 -3.868 1.00 0.00 C ATOM 0 H LEU A 489 13.266 -6.003 -1.260 1.00 0.00 H new ATOM 0 HA LEU A 489 12.555 -4.706 -3.575 1.00 0.00 H new ATOM 0 HB2 LEU A 489 10.753 -5.303 -1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 489 10.251 -5.124 -2.875 1.00 0.00 H new ATOM 0 HG LEU A 489 11.982 -7.349 -1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 489 10.043 -8.774 -2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 489 9.634 -7.516 -1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 489 9.127 -7.334 -2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 489 11.768 -8.360 -3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 489 10.920 -6.904 -4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 489 12.621 -6.800 -4.058 1.00 0.00 H new ATOM 1012 N LEU A 490 11.600 -2.908 -0.961 1.00 0.00 N ATOM 1013 CA LEU A 490 11.294 -1.549 -0.525 1.00 0.00 C ATOM 1014 C LEU A 490 12.306 -0.556 -1.087 1.00 0.00 C ATOM 1015 O LEU A 490 11.947 0.354 -1.834 1.00 0.00 O ATOM 1016 CB LEU A 490 11.284 -1.474 1.003 1.00 0.00 C ATOM 1017 CG LEU A 490 10.168 -2.247 1.706 1.00 0.00 C ATOM 1018 CD1 LEU A 490 10.462 -2.376 3.192 1.00 0.00 C ATOM 1019 CD2 LEU A 490 8.825 -1.566 1.483 1.00 0.00 C ATOM 0 H LEU A 490 11.467 -3.621 -0.244 1.00 0.00 H new ATOM 0 HA LEU A 490 10.306 -1.286 -0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 490 12.241 -1.843 1.371 1.00 0.00 H new ATOM 0 HB3 LEU A 490 11.212 -0.426 1.295 1.00 0.00 H new ATOM 0 HG LEU A 490 10.121 -3.248 1.278 1.00 0.00 H new ATOM 0 HD11 LEU A 490 9.657 -2.929 3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 490 11.403 -2.908 3.332 1.00 0.00 H new ATOM 0 HD13 LEU A 490 10.538 -1.383 3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 490 8.042 -2.130 1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 490 8.860 -0.553 1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 490 8.610 -1.527 0.415 1.00 0.00 H new ATOM 1031 N ASP A 491 13.571 -0.739 -0.726 1.00 0.00 N ATOM 1032 CA ASP A 491 14.636 0.139 -1.197 1.00 0.00 C ATOM 1033 C ASP A 491 14.429 0.505 -2.664 1.00 0.00 C ATOM 1034 O ASP A 491 14.662 1.643 -3.070 1.00 0.00 O ATOM 1035 CB ASP A 491 15.998 -0.532 -1.013 1.00 0.00 C ATOM 1036 CG ASP A 491 16.426 -0.584 0.440 1.00 0.00 C ATOM 1037 OD1 ASP A 491 15.934 -1.469 1.171 1.00 0.00 O ATOM 1038 OD2 ASP A 491 17.252 0.259 0.847 1.00 0.00 O ATOM 0 H ASP A 491 13.884 -1.488 -0.108 1.00 0.00 H new ATOM 0 HA ASP A 491 14.608 1.054 -0.605 1.00 0.00 H new ATOM 0 HB2 ASP A 491 15.958 -1.545 -1.413 1.00 0.00 H new ATOM 0 HB3 ASP A 491 16.747 0.009 -1.590 1.00 0.00 H new ATOM 1043 N LYS A 492 13.991 -0.469 -3.455 1.00 0.00 N ATOM 1044 CA LYS A 492 13.752 -0.250 -4.877 1.00 0.00 C ATOM 1045 C LYS A 492 12.415 0.448 -5.103 1.00 0.00 C ATOM 1046 O LYS A 492 12.305 1.341 -5.942 1.00 0.00 O ATOM 1047 CB LYS A 492 13.777 -1.583 -5.629 1.00 0.00 C ATOM 1048 CG LYS A 492 13.636 -1.434 -7.134 1.00 0.00 C ATOM 1049 CD LYS A 492 14.282 -2.595 -7.872 1.00 0.00 C ATOM 1050 CE LYS A 492 13.480 -3.877 -7.704 1.00 0.00 C ATOM 1051 NZ LYS A 492 14.274 -5.080 -8.077 1.00 0.00 N ATOM 0 H LYS A 492 13.794 -1.417 -3.135 1.00 0.00 H new ATOM 0 HA LYS A 492 14.546 0.392 -5.259 1.00 0.00 H new ATOM 0 HB2 LYS A 492 14.713 -2.097 -5.409 1.00 0.00 H new ATOM 0 HB3 LYS A 492 12.971 -2.215 -5.258 1.00 0.00 H new ATOM 0 HG2 LYS A 492 12.580 -1.377 -7.398 1.00 0.00 H new ATOM 0 HG3 LYS A 492 14.095 -0.498 -7.453 1.00 0.00 H new ATOM 0 HD2 LYS A 492 14.366 -2.353 -8.931 1.00 0.00 H new ATOM 0 HD3 LYS A 492 15.295 -2.746 -7.499 1.00 0.00 H new ATOM 0 HE2 LYS A 492 13.150 -3.966 -6.669 1.00 0.00 H new ATOM 0 HE3 LYS A 492 12.583 -3.828 -8.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 13.730 -5.661 -8.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 15.166 -4.783 -8.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 14.481 -5.638 -7.224 1.00 0.00 H new ATOM 1065 N MET A 493 11.402 0.036 -4.348 1.00 0.00 N ATOM 1066 CA MET A 493 10.073 0.624 -4.465 1.00 0.00 C ATOM 1067 C MET A 493 10.102 2.108 -4.111 1.00 0.00 C ATOM 1068 O MET A 493 9.758 2.959 -4.931 1.00 0.00 O ATOM 1069 CB MET A 493 9.085 -0.109 -3.556 1.00 0.00 C ATOM 1070 CG MET A 493 7.628 0.162 -3.897 1.00 0.00 C ATOM 1071 SD MET A 493 7.052 1.750 -3.268 1.00 0.00 S ATOM 1072 CE MET A 493 6.693 1.330 -1.565 1.00 0.00 C ATOM 0 H MET A 493 11.476 -0.703 -3.649 1.00 0.00 H new ATOM 0 HA MET A 493 9.748 0.521 -5.500 1.00 0.00 H new ATOM 0 HB2 MET A 493 9.271 -1.181 -3.621 1.00 0.00 H new ATOM 0 HB3 MET A 493 9.268 0.185 -2.522 1.00 0.00 H new ATOM 0 HG2 MET A 493 7.501 0.137 -4.979 1.00 0.00 H new ATOM 0 HG3 MET A 493 7.008 -0.634 -3.485 1.00 0.00 H new ATOM 0 HE1 MET A 493 6.846 2.206 -0.934 1.00 0.00 H new ATOM 0 HE2 MET A 493 5.658 1.000 -1.482 1.00 0.00 H new ATOM 0 HE3 MET A 493 7.357 0.528 -1.240 1.00 0.00 H new ATOM 1082 N LEU A 494 10.514 2.411 -2.885 1.00 0.00 N ATOM 1083 CA LEU A 494 10.588 3.792 -2.422 1.00 0.00 C ATOM 1084 C LEU A 494 11.292 4.673 -3.448 1.00 0.00 C ATOM 1085 O LEU A 494 10.829 5.770 -3.762 1.00 0.00 O ATOM 1086 CB LEU A 494 11.324 3.863 -1.082 1.00 0.00 C ATOM 1087 CG LEU A 494 10.524 3.428 0.146 1.00 0.00 C ATOM 1088 CD1 LEU A 494 9.384 4.398 0.412 1.00 0.00 C ATOM 1089 CD2 LEU A 494 9.991 2.014 -0.038 1.00 0.00 C ATOM 0 H LEU A 494 10.802 1.719 -2.194 1.00 0.00 H new ATOM 0 HA LEU A 494 9.570 4.160 -2.291 1.00 0.00 H new ATOM 0 HB2 LEU A 494 12.218 3.242 -1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 494 11.659 4.889 -0.928 1.00 0.00 H new ATOM 0 HG LEU A 494 11.189 3.435 1.010 1.00 0.00 H new ATOM 0 HD11 LEU A 494 8.826 4.072 1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 494 9.788 5.395 0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 494 8.719 4.424 -0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 494 9.424 1.721 0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 494 9.342 1.981 -0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 494 10.825 1.326 -0.179 1.00 0.00 H new