USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=22 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 -47:sc= 1.18 USER MOD Set 1.2: A 486 THR OG1 : rot 172:sc= 2.1 USER MOD Set 2.1: A 460 CYS SG : rot -160:sc= -1.1 USER MOD Set 2.2: A 469 CYS SG : rot -73:sc= 0.661 USER MOD Set 2.3: A 471 ASN : amide:sc= -0.568 K(o=-0.92,f=1.1) USER MOD Set 2.4: A 475 CYS SG : rot 152:sc= 1.25 USER MOD Set 2.5: A 479 HIS : no HD1:sc= -1.17 K(o=-0.92,f=0.45) USER MOD Set 3.1: A 437 CYS SG : rot 133:sc= 0.0533 USER MOD Set 3.2: A 445 CYS SG : rot -94:sc= 1.14 USER MOD Set 3.3: A 451 CYS SG : rot 164:sc= 0.887 USER MOD Set 3.4: A 455 HIS : no HE2:sc= -2.3! C(o=-0.22!,f=-5.1!) USER MOD Set 4.1: A 440 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 476 MET CE :methyl 161:sc= -0.49 (180deg=-1.73) USER MOD Single : A 433 LYS NZ :NH3+ 141:sc= -0.494 (180deg=-1.92!) USER MOD Single : A 438 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 442 THR OG1 : rot -46:sc= 1.02 USER MOD Single : A 450 ASN : amide:sc= -1.42 K(o=-1.4,f=-11!) USER MOD Single : A 453 TYR OH : rot 150:sc= -0.89 USER MOD Single : A 454 MET CE :methyl -169:sc= -1.63 (180deg=-2.18) 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 HE2:sc= -3.9! K(o=-3.9!,f=-3.4) USER MOD Single : A 465 THR OG1 : rot -32:sc= 0.204 USER MOD Single : A 466 THR OG1 : rot 180:sc= 0 USER MOD Single : A 468 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 478 SER OG : rot 180:sc= 0 USER MOD Single : A 492 LYS NZ :NH3+ -162:sc= -0.0191 (180deg=-0.197) USER MOD Single : A 493 MET CE :methyl 150:sc= -2.26! (180deg=-4.79!) USER MOD ----------------------------------------------------------------- ATOM 136 N LYS A 433 9.713 -9.764 -11.893 1.00 0.00 N ATOM 137 CA LYS A 433 10.073 -8.410 -11.488 1.00 0.00 C ATOM 138 C LYS A 433 10.305 -8.336 -9.983 1.00 0.00 C ATOM 139 O LYS A 433 11.188 -7.616 -9.516 1.00 0.00 O ATOM 140 CB LYS A 433 8.974 -7.426 -11.895 1.00 0.00 C ATOM 141 CG LYS A 433 8.926 -7.151 -13.388 1.00 0.00 C ATOM 142 CD LYS A 433 10.093 -6.286 -13.834 1.00 0.00 C ATOM 143 CE LYS A 433 9.775 -4.805 -13.696 1.00 0.00 C ATOM 144 NZ LYS A 433 9.942 -4.330 -12.295 1.00 0.00 N ATOM 0 HA LYS A 433 11.000 -8.140 -11.994 1.00 0.00 H new ATOM 0 HB2 LYS A 433 8.009 -7.820 -11.575 1.00 0.00 H new ATOM 0 HB3 LYS A 433 9.126 -6.485 -11.366 1.00 0.00 H new ATOM 0 HG2 LYS A 433 8.942 -8.095 -13.933 1.00 0.00 H new ATOM 0 HG3 LYS A 433 7.988 -6.655 -13.637 1.00 0.00 H new ATOM 0 HD2 LYS A 433 10.974 -6.527 -13.239 1.00 0.00 H new ATOM 0 HD3 LYS A 433 10.338 -6.511 -14.872 1.00 0.00 H new ATOM 0 HE2 LYS A 433 10.427 -4.231 -14.354 1.00 0.00 H new ATOM 0 HE3 LYS A 433 8.751 -4.621 -14.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 10.365 -3.380 -12.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 9.014 -4.294 -11.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 10.564 -4.984 -11.779 1.00 0.00 H new ATOM 158 N ARG A 434 9.508 -9.086 -9.228 1.00 0.00 N ATOM 159 CA ARG A 434 9.627 -9.105 -7.775 1.00 0.00 C ATOM 160 C ARG A 434 9.380 -7.717 -7.191 1.00 0.00 C ATOM 161 O ARG A 434 10.074 -7.289 -6.270 1.00 0.00 O ATOM 162 CB ARG A 434 11.013 -9.604 -7.363 1.00 0.00 C ATOM 163 CG ARG A 434 11.037 -10.282 -6.003 1.00 0.00 C ATOM 164 CD ARG A 434 10.408 -11.665 -6.059 1.00 0.00 C ATOM 165 NE ARG A 434 10.474 -12.350 -4.771 1.00 0.00 N ATOM 166 CZ ARG A 434 11.605 -12.784 -4.227 1.00 0.00 C ATOM 167 NH1 ARG A 434 12.759 -12.605 -4.856 1.00 0.00 N ATOM 168 NH2 ARG A 434 11.584 -13.398 -3.051 1.00 0.00 N ATOM 0 H ARG A 434 8.773 -9.688 -9.599 1.00 0.00 H new ATOM 0 HA ARG A 434 8.871 -9.785 -7.382 1.00 0.00 H new ATOM 0 HB2 ARG A 434 11.376 -10.304 -8.115 1.00 0.00 H new ATOM 0 HB3 ARG A 434 11.705 -8.762 -7.352 1.00 0.00 H new ATOM 0 HG2 ARG A 434 12.066 -10.363 -5.654 1.00 0.00 H new ATOM 0 HG3 ARG A 434 10.502 -9.667 -5.279 1.00 0.00 H new ATOM 0 HD2 ARG A 434 9.367 -11.577 -6.370 1.00 0.00 H new ATOM 0 HD3 ARG A 434 10.917 -12.264 -6.814 1.00 0.00 H new ATOM 0 HE ARG A 434 9.604 -12.503 -4.261 1.00 0.00 H new ATOM 0 HH11 ARG A 434 12.779 -12.133 -5.760 1.00 0.00 H new ATOM 0 HH12 ARG A 434 13.626 -12.939 -4.436 1.00 0.00 H new ATOM 0 HH21 ARG A 434 10.699 -13.537 -2.564 1.00 0.00 H new ATOM 0 HH22 ARG A 434 12.453 -13.731 -2.634 1.00 0.00 H new ATOM 182 N GLU A 435 8.388 -7.020 -7.735 1.00 0.00 N ATOM 183 CA GLU A 435 8.051 -5.680 -7.269 1.00 0.00 C ATOM 184 C GLU A 435 6.541 -5.522 -7.112 1.00 0.00 C ATOM 185 O GLU A 435 5.763 -6.292 -7.676 1.00 0.00 O ATOM 186 CB GLU A 435 8.586 -4.627 -8.241 1.00 0.00 C ATOM 187 CG GLU A 435 8.874 -3.286 -7.589 1.00 0.00 C ATOM 188 CD GLU A 435 10.065 -3.336 -6.652 1.00 0.00 C ATOM 189 OE1 GLU A 435 9.916 -3.867 -5.531 1.00 0.00 O ATOM 190 OE2 GLU A 435 11.146 -2.845 -7.039 1.00 0.00 O ATOM 0 H GLU A 435 7.804 -7.361 -8.499 1.00 0.00 H new ATOM 0 HA GLU A 435 8.518 -5.535 -6.295 1.00 0.00 H new ATOM 0 HB2 GLU A 435 9.500 -5.001 -8.701 1.00 0.00 H new ATOM 0 HB3 GLU A 435 7.861 -4.483 -9.042 1.00 0.00 H new ATOM 0 HG2 GLU A 435 9.057 -2.542 -8.364 1.00 0.00 H new ATOM 0 HG3 GLU A 435 7.994 -2.959 -7.035 1.00 0.00 H new ATOM 197 N LEU A 436 6.134 -4.520 -6.340 1.00 0.00 N ATOM 198 CA LEU A 436 4.717 -4.260 -6.107 1.00 0.00 C ATOM 199 C LEU A 436 3.998 -3.951 -7.417 1.00 0.00 C ATOM 200 O LEU A 436 4.246 -2.922 -8.046 1.00 0.00 O ATOM 201 CB LEU A 436 4.546 -3.095 -5.131 1.00 0.00 C ATOM 202 CG LEU A 436 3.114 -2.799 -4.684 1.00 0.00 C ATOM 203 CD1 LEU A 436 2.540 -3.980 -3.917 1.00 0.00 C ATOM 204 CD2 LEU A 436 3.071 -1.537 -3.835 1.00 0.00 C ATOM 0 H LEU A 436 6.765 -3.874 -5.865 1.00 0.00 H new ATOM 0 HA LEU A 436 4.274 -5.157 -5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 436 5.147 -3.298 -4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 436 4.954 -2.196 -5.594 1.00 0.00 H new ATOM 0 HG LEU A 436 2.502 -2.637 -5.571 1.00 0.00 H new ATOM 0 HD11 LEU A 436 1.520 -3.751 -3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 436 2.535 -4.862 -4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 436 3.152 -4.174 -3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 436 2.044 -1.341 -3.526 1.00 0.00 H new ATOM 0 HD22 LEU A 436 3.697 -1.671 -2.953 1.00 0.00 H new ATOM 0 HD23 LEU A 436 3.441 -0.694 -4.418 1.00 0.00 H new ATOM 216 N CYS A 437 3.105 -4.848 -7.821 1.00 0.00 N ATOM 217 CA CYS A 437 2.347 -4.672 -9.054 1.00 0.00 C ATOM 218 C CYS A 437 1.649 -3.315 -9.074 1.00 0.00 C ATOM 219 O CYS A 437 0.768 -3.045 -8.257 1.00 0.00 O ATOM 220 CB CYS A 437 1.315 -5.791 -9.207 1.00 0.00 C ATOM 221 SG CYS A 437 0.731 -6.034 -10.916 1.00 0.00 S ATOM 0 H CYS A 437 2.888 -5.705 -7.312 1.00 0.00 H new ATOM 0 HA CYS A 437 3.045 -4.714 -9.890 1.00 0.00 H new ATOM 0 HB2 CYS A 437 1.750 -6.723 -8.847 1.00 0.00 H new ATOM 0 HB3 CYS A 437 0.459 -5.571 -8.569 1.00 0.00 H new ATOM 0 HG CYS A 437 0.758 -7.301 -11.208 1.00 0.00 H new ATOM 226 N LYS A 438 2.049 -2.464 -10.012 1.00 0.00 N ATOM 227 CA LYS A 438 1.462 -1.136 -10.142 1.00 0.00 C ATOM 228 C LYS A 438 -0.051 -1.224 -10.313 1.00 0.00 C ATOM 229 O LYS A 438 -0.756 -0.219 -10.216 1.00 0.00 O ATOM 230 CB LYS A 438 2.079 -0.397 -11.332 1.00 0.00 C ATOM 231 CG LYS A 438 3.455 0.177 -11.044 1.00 0.00 C ATOM 232 CD LYS A 438 4.106 0.722 -12.304 1.00 0.00 C ATOM 233 CE LYS A 438 5.129 1.801 -11.981 1.00 0.00 C ATOM 234 NZ LYS A 438 4.491 3.134 -11.798 1.00 0.00 N ATOM 0 H LYS A 438 2.778 -2.671 -10.694 1.00 0.00 H new ATOM 0 HA LYS A 438 1.675 -0.581 -9.228 1.00 0.00 H new ATOM 0 HB2 LYS A 438 2.150 -1.082 -12.177 1.00 0.00 H new ATOM 0 HB3 LYS A 438 1.413 0.412 -11.632 1.00 0.00 H new ATOM 0 HG2 LYS A 438 3.371 0.972 -10.303 1.00 0.00 H new ATOM 0 HG3 LYS A 438 4.089 -0.596 -10.611 1.00 0.00 H new ATOM 0 HD2 LYS A 438 4.591 -0.091 -12.845 1.00 0.00 H new ATOM 0 HD3 LYS A 438 3.340 1.131 -12.963 1.00 0.00 H new ATOM 0 HE2 LYS A 438 5.669 1.529 -11.074 1.00 0.00 H new ATOM 0 HE3 LYS A 438 5.863 1.857 -12.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 438 5.221 3.841 -11.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 438 3.997 3.405 -12.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 438 3.809 3.088 -11.015 1.00 0.00 H new ATOM 248 N PHE A 439 -0.544 -2.431 -10.567 1.00 0.00 N ATOM 249 CA PHE A 439 -1.974 -2.650 -10.751 1.00 0.00 C ATOM 250 C PHE A 439 -2.603 -3.228 -9.487 1.00 0.00 C ATOM 251 O PHE A 439 -3.635 -2.746 -9.018 1.00 0.00 O ATOM 252 CB PHE A 439 -2.220 -3.591 -11.932 1.00 0.00 C ATOM 253 CG PHE A 439 -2.018 -2.939 -13.270 1.00 0.00 C ATOM 254 CD1 PHE A 439 -0.793 -2.386 -13.608 1.00 0.00 C ATOM 255 CD2 PHE A 439 -3.052 -2.881 -14.190 1.00 0.00 C ATOM 256 CE1 PHE A 439 -0.605 -1.785 -14.838 1.00 0.00 C ATOM 257 CE2 PHE A 439 -2.870 -2.281 -15.422 1.00 0.00 C ATOM 258 CZ PHE A 439 -1.644 -1.733 -15.747 1.00 0.00 C ATOM 0 H PHE A 439 0.026 -3.273 -10.650 1.00 0.00 H new ATOM 0 HA PHE A 439 -2.439 -1.687 -10.960 1.00 0.00 H new ATOM 0 HB2 PHE A 439 -1.551 -4.447 -11.849 1.00 0.00 H new ATOM 0 HB3 PHE A 439 -3.238 -3.975 -11.874 1.00 0.00 H new ATOM 0 HD1 PHE A 439 0.024 -2.425 -12.902 1.00 0.00 H new ATOM 0 HD2 PHE A 439 -4.012 -3.310 -13.942 1.00 0.00 H new ATOM 0 HE1 PHE A 439 0.354 -1.356 -15.089 1.00 0.00 H new ATOM 0 HE2 PHE A 439 -3.685 -2.241 -16.129 1.00 0.00 H new ATOM 0 HZ PHE A 439 -1.498 -1.265 -16.709 1.00 0.00 H new ATOM 268 N TYR A 440 -1.975 -4.263 -8.940 1.00 0.00 N ATOM 269 CA TYR A 440 -2.473 -4.909 -7.732 1.00 0.00 C ATOM 270 C TYR A 440 -2.874 -3.873 -6.686 1.00 0.00 C ATOM 271 O TYR A 440 -3.893 -4.020 -6.010 1.00 0.00 O ATOM 272 CB TYR A 440 -1.413 -5.848 -7.156 1.00 0.00 C ATOM 273 CG TYR A 440 -1.873 -6.601 -5.928 1.00 0.00 C ATOM 274 CD1 TYR A 440 -3.085 -7.280 -5.920 1.00 0.00 C ATOM 275 CD2 TYR A 440 -1.097 -6.632 -4.776 1.00 0.00 C ATOM 276 CE1 TYR A 440 -3.511 -7.969 -4.800 1.00 0.00 C ATOM 277 CE2 TYR A 440 -1.513 -7.319 -3.653 1.00 0.00 C ATOM 278 CZ TYR A 440 -2.721 -7.986 -3.669 1.00 0.00 C ATOM 279 OH TYR A 440 -3.140 -8.670 -2.551 1.00 0.00 O ATOM 0 H TYR A 440 -1.119 -4.673 -9.315 1.00 0.00 H new ATOM 0 HA TYR A 440 -3.356 -5.490 -7.999 1.00 0.00 H new ATOM 0 HB2 TYR A 440 -1.120 -6.565 -7.923 1.00 0.00 H new ATOM 0 HB3 TYR A 440 -0.524 -5.269 -6.905 1.00 0.00 H new ATOM 0 HD1 TYR A 440 -3.705 -7.269 -6.804 1.00 0.00 H new ATOM 0 HD2 TYR A 440 -0.152 -6.110 -4.759 1.00 0.00 H new ATOM 0 HE1 TYR A 440 -4.456 -8.491 -4.810 1.00 0.00 H new ATOM 0 HE2 TYR A 440 -0.896 -7.334 -2.767 1.00 0.00 H new ATOM 0 HH TYR A 440 -2.468 -8.583 -1.843 1.00 0.00 H new ATOM 289 N ILE A 441 -2.065 -2.826 -6.560 1.00 0.00 N ATOM 290 CA ILE A 441 -2.335 -1.765 -5.598 1.00 0.00 C ATOM 291 C ILE A 441 -3.824 -1.436 -5.546 1.00 0.00 C ATOM 292 O ILE A 441 -4.351 -1.056 -4.500 1.00 0.00 O ATOM 293 CB ILE A 441 -1.550 -0.484 -5.938 1.00 0.00 C ATOM 294 CG1 ILE A 441 -0.047 -0.771 -5.953 1.00 0.00 C ATOM 295 CG2 ILE A 441 -1.875 0.617 -4.940 1.00 0.00 C ATOM 296 CD1 ILE A 441 0.759 0.269 -6.700 1.00 0.00 C ATOM 0 H ILE A 441 -1.218 -2.690 -7.112 1.00 0.00 H new ATOM 0 HA ILE A 441 -2.012 -2.132 -4.624 1.00 0.00 H new ATOM 0 HB ILE A 441 -1.847 -0.146 -6.931 1.00 0.00 H new ATOM 0 HG12 ILE A 441 0.314 -0.830 -4.926 1.00 0.00 H new ATOM 0 HG13 ILE A 441 0.124 -1.747 -6.407 1.00 0.00 H new ATOM 0 HG21 ILE A 441 -1.313 1.516 -5.194 1.00 0.00 H new ATOM 0 HG22 ILE A 441 -2.942 0.835 -4.974 1.00 0.00 H new ATOM 0 HG23 ILE A 441 -1.603 0.290 -3.936 1.00 0.00 H new ATOM 0 HD11 ILE A 441 1.815 0.001 -6.670 1.00 0.00 H new ATOM 0 HD12 ILE A 441 0.425 0.312 -7.737 1.00 0.00 H new ATOM 0 HD13 ILE A 441 0.618 1.243 -6.232 1.00 0.00 H new ATOM 308 N THR A 442 -4.498 -1.586 -6.682 1.00 0.00 N ATOM 309 CA THR A 442 -5.925 -1.306 -6.766 1.00 0.00 C ATOM 310 C THR A 442 -6.740 -2.594 -6.748 1.00 0.00 C ATOM 311 O THR A 442 -7.824 -2.646 -6.167 1.00 0.00 O ATOM 312 CB THR A 442 -6.268 -0.513 -8.041 1.00 0.00 C ATOM 313 OG1 THR A 442 -5.910 -1.272 -9.201 1.00 0.00 O ATOM 314 CG2 THR A 442 -5.541 0.823 -8.059 1.00 0.00 C ATOM 0 H THR A 442 -4.078 -1.900 -7.557 1.00 0.00 H new ATOM 0 HA THR A 442 -6.181 -0.705 -5.893 1.00 0.00 H new ATOM 0 HB THR A 442 -7.342 -0.325 -8.048 1.00 0.00 H new ATOM 0 HG1 THR A 442 -5.012 -1.646 -9.083 1.00 0.00 H new ATOM 0 HG21 THR A 442 -5.799 1.365 -8.969 1.00 0.00 H new ATOM 0 HG22 THR A 442 -5.838 1.410 -7.190 1.00 0.00 H new ATOM 0 HG23 THR A 442 -4.465 0.652 -8.031 1.00 0.00 H new ATOM 322 N GLY A 443 -6.211 -3.633 -7.387 1.00 0.00 N ATOM 323 CA GLY A 443 -6.903 -4.908 -7.431 1.00 0.00 C ATOM 324 C GLY A 443 -7.228 -5.343 -8.847 1.00 0.00 C ATOM 325 O GLY A 443 -7.657 -6.474 -9.073 1.00 0.00 O ATOM 0 H GLY A 443 -5.316 -3.615 -7.875 1.00 0.00 H new ATOM 0 HA2 GLY A 443 -6.286 -5.669 -6.953 1.00 0.00 H new ATOM 0 HA3 GLY A 443 -7.826 -4.837 -6.855 1.00 0.00 H new ATOM 329 N PHE A 444 -7.024 -4.442 -9.802 1.00 0.00 N ATOM 330 CA PHE A 444 -7.301 -4.737 -11.203 1.00 0.00 C ATOM 331 C PHE A 444 -6.028 -5.160 -11.931 1.00 0.00 C ATOM 332 O PHE A 444 -5.322 -4.330 -12.505 1.00 0.00 O ATOM 333 CB PHE A 444 -7.914 -3.517 -11.892 1.00 0.00 C ATOM 334 CG PHE A 444 -7.853 -3.582 -13.392 1.00 0.00 C ATOM 335 CD1 PHE A 444 -8.326 -4.693 -14.070 1.00 0.00 C ATOM 336 CD2 PHE A 444 -7.323 -2.531 -14.123 1.00 0.00 C ATOM 337 CE1 PHE A 444 -8.272 -4.756 -15.450 1.00 0.00 C ATOM 338 CE2 PHE A 444 -7.267 -2.587 -15.502 1.00 0.00 C ATOM 339 CZ PHE A 444 -7.741 -3.702 -16.167 1.00 0.00 C ATOM 0 H PHE A 444 -6.668 -3.502 -9.631 1.00 0.00 H new ATOM 0 HA PHE A 444 -8.012 -5.562 -11.241 1.00 0.00 H new ATOM 0 HB2 PHE A 444 -8.955 -3.420 -11.583 1.00 0.00 H new ATOM 0 HB3 PHE A 444 -7.395 -2.620 -11.554 1.00 0.00 H new ATOM 0 HD1 PHE A 444 -8.742 -5.520 -13.514 1.00 0.00 H new ATOM 0 HD2 PHE A 444 -6.949 -1.658 -13.609 1.00 0.00 H new ATOM 0 HE1 PHE A 444 -8.645 -5.628 -15.967 1.00 0.00 H new ATOM 0 HE2 PHE A 444 -6.853 -1.760 -16.060 1.00 0.00 H new ATOM 0 HZ PHE A 444 -7.696 -3.749 -17.245 1.00 0.00 H new ATOM 349 N CYS A 445 -5.740 -6.457 -11.902 1.00 0.00 N ATOM 350 CA CYS A 445 -4.553 -6.992 -12.557 1.00 0.00 C ATOM 351 C CYS A 445 -4.922 -8.125 -13.510 1.00 0.00 C ATOM 352 O CYS A 445 -5.320 -9.207 -13.081 1.00 0.00 O ATOM 353 CB CYS A 445 -3.552 -7.494 -11.514 1.00 0.00 C ATOM 354 SG CYS A 445 -2.177 -8.465 -12.210 1.00 0.00 S ATOM 0 H CYS A 445 -6.313 -7.157 -11.431 1.00 0.00 H new ATOM 0 HA CYS A 445 -4.094 -6.189 -13.135 1.00 0.00 H new ATOM 0 HB2 CYS A 445 -3.143 -6.638 -10.977 1.00 0.00 H new ATOM 0 HB3 CYS A 445 -4.081 -8.106 -10.783 1.00 0.00 H new ATOM 0 HG CYS A 445 -2.473 -9.730 -12.166 1.00 0.00 H new ATOM 359 N ALA A 446 -4.786 -7.867 -14.807 1.00 0.00 N ATOM 360 CA ALA A 446 -5.103 -8.865 -15.822 1.00 0.00 C ATOM 361 C ALA A 446 -4.642 -10.253 -15.389 1.00 0.00 C ATOM 362 O ALA A 446 -5.458 -11.111 -15.054 1.00 0.00 O ATOM 363 CB ALA A 446 -4.467 -8.486 -17.151 1.00 0.00 C ATOM 0 H ALA A 446 -4.459 -6.976 -15.180 1.00 0.00 H new ATOM 0 HA ALA A 446 -6.186 -8.892 -15.945 1.00 0.00 H new ATOM 0 HB1 ALA A 446 -4.712 -9.240 -17.900 1.00 0.00 H new ATOM 0 HB2 ALA A 446 -4.848 -7.517 -17.474 1.00 0.00 H new ATOM 0 HB3 ALA A 446 -3.385 -8.429 -17.033 1.00 0.00 H new ATOM 369 N ARG A 447 -3.330 -10.466 -15.400 1.00 0.00 N ATOM 370 CA ARG A 447 -2.762 -11.750 -15.010 1.00 0.00 C ATOM 371 C ARG A 447 -2.838 -11.943 -13.499 1.00 0.00 C ATOM 372 O ARG A 447 -2.042 -11.377 -12.750 1.00 0.00 O ATOM 373 CB ARG A 447 -1.308 -11.850 -15.475 1.00 0.00 C ATOM 374 CG ARG A 447 -1.150 -11.853 -16.987 1.00 0.00 C ATOM 375 CD ARG A 447 0.174 -12.470 -17.408 1.00 0.00 C ATOM 376 NE ARG A 447 0.417 -12.320 -18.840 1.00 0.00 N ATOM 377 CZ ARG A 447 1.225 -13.112 -19.536 1.00 0.00 C ATOM 378 NH1 ARG A 447 1.865 -14.105 -18.934 1.00 0.00 N ATOM 379 NH2 ARG A 447 1.394 -12.912 -20.837 1.00 0.00 N ATOM 0 H ARG A 447 -2.641 -9.766 -15.675 1.00 0.00 H new ATOM 0 HA ARG A 447 -3.345 -12.537 -15.488 1.00 0.00 H new ATOM 0 HB2 ARG A 447 -0.745 -11.013 -15.061 1.00 0.00 H new ATOM 0 HB3 ARG A 447 -0.868 -12.762 -15.071 1.00 0.00 H new ATOM 0 HG2 ARG A 447 -1.972 -12.409 -17.439 1.00 0.00 H new ATOM 0 HG3 ARG A 447 -1.212 -10.832 -17.362 1.00 0.00 H new ATOM 0 HD2 ARG A 447 0.986 -12.001 -16.852 1.00 0.00 H new ATOM 0 HD3 ARG A 447 0.179 -13.529 -17.148 1.00 0.00 H new ATOM 0 HE ARG A 447 -0.060 -11.565 -19.333 1.00 0.00 H new ATOM 0 HH11 ARG A 447 1.737 -14.262 -17.934 1.00 0.00 H new ATOM 0 HH12 ARG A 447 2.485 -14.712 -19.471 1.00 0.00 H new ATOM 0 HH21 ARG A 447 0.903 -12.149 -21.304 1.00 0.00 H new ATOM 0 HH22 ARG A 447 2.015 -13.521 -21.370 1.00 0.00 H new ATOM 393 N ALA A 448 -3.802 -12.745 -13.058 1.00 0.00 N ATOM 394 CA ALA A 448 -3.981 -13.013 -11.636 1.00 0.00 C ATOM 395 C ALA A 448 -3.008 -14.082 -11.152 1.00 0.00 C ATOM 396 O ALA A 448 -2.054 -13.785 -10.433 1.00 0.00 O ATOM 397 CB ALA A 448 -5.416 -13.437 -11.356 1.00 0.00 C ATOM 0 H ALA A 448 -4.470 -13.220 -13.665 1.00 0.00 H new ATOM 0 HA ALA A 448 -3.771 -12.094 -11.089 1.00 0.00 H new ATOM 0 HB1 ALA A 448 -5.536 -13.634 -10.291 1.00 0.00 H new ATOM 0 HB2 ALA A 448 -6.096 -12.640 -11.656 1.00 0.00 H new ATOM 0 HB3 ALA A 448 -5.645 -14.341 -11.920 1.00 0.00 H new ATOM 403 N GLU A 449 -3.255 -15.326 -11.550 1.00 0.00 N ATOM 404 CA GLU A 449 -2.400 -16.438 -11.154 1.00 0.00 C ATOM 405 C GLU A 449 -1.101 -16.439 -11.957 1.00 0.00 C ATOM 406 O GLU A 449 -0.189 -17.216 -11.680 1.00 0.00 O ATOM 407 CB GLU A 449 -3.132 -17.768 -11.348 1.00 0.00 C ATOM 408 CG GLU A 449 -3.226 -18.205 -12.800 1.00 0.00 C ATOM 409 CD GLU A 449 -3.969 -19.517 -12.967 1.00 0.00 C ATOM 410 OE1 GLU A 449 -3.334 -20.581 -12.811 1.00 0.00 O ATOM 411 OE2 GLU A 449 -5.183 -19.479 -13.255 1.00 0.00 O ATOM 0 H GLU A 449 -4.040 -15.589 -12.146 1.00 0.00 H new ATOM 0 HA GLU A 449 -2.155 -16.316 -10.099 1.00 0.00 H new ATOM 0 HB2 GLU A 449 -2.619 -18.542 -10.777 1.00 0.00 H new ATOM 0 HB3 GLU A 449 -4.138 -17.683 -10.937 1.00 0.00 H new ATOM 0 HG2 GLU A 449 -3.730 -17.430 -13.377 1.00 0.00 H new ATOM 0 HG3 GLU A 449 -2.222 -18.306 -13.211 1.00 0.00 H new ATOM 418 N ASN A 450 -1.028 -15.561 -12.952 1.00 0.00 N ATOM 419 CA ASN A 450 0.157 -15.460 -13.796 1.00 0.00 C ATOM 420 C ASN A 450 0.783 -14.073 -13.691 1.00 0.00 C ATOM 421 O ASN A 450 1.392 -13.581 -14.642 1.00 0.00 O ATOM 422 CB ASN A 450 -0.201 -15.762 -15.252 1.00 0.00 C ATOM 423 CG ASN A 450 -1.630 -15.379 -15.588 1.00 0.00 C ATOM 424 OD1 ASN A 450 -2.230 -14.534 -14.922 1.00 0.00 O ATOM 425 ND2 ASN A 450 -2.181 -16.000 -16.624 1.00 0.00 N ATOM 0 H ASN A 450 -1.775 -14.910 -13.193 1.00 0.00 H new ATOM 0 HA ASN A 450 0.884 -16.194 -13.448 1.00 0.00 H new ATOM 0 HB2 ASN A 450 0.481 -15.223 -15.910 1.00 0.00 H new ATOM 0 HB3 ASN A 450 -0.058 -16.825 -15.446 1.00 0.00 H new ATOM 0 HD21 ASN A 450 -3.140 -15.784 -16.897 1.00 0.00 H new ATOM 0 HD22 ASN A 450 -1.646 -16.693 -17.147 1.00 0.00 H new ATOM 432 N CYS A 451 0.631 -13.447 -12.529 1.00 0.00 N ATOM 433 CA CYS A 451 1.180 -12.117 -12.298 1.00 0.00 C ATOM 434 C CYS A 451 2.695 -12.177 -12.124 1.00 0.00 C ATOM 435 O CYS A 451 3.212 -12.732 -11.154 1.00 0.00 O ATOM 436 CB CYS A 451 0.538 -11.484 -11.062 1.00 0.00 C ATOM 437 SG CYS A 451 1.224 -9.856 -10.618 1.00 0.00 S ATOM 0 H CYS A 451 0.131 -13.841 -11.732 1.00 0.00 H new ATOM 0 HA CYS A 451 0.956 -11.502 -13.170 1.00 0.00 H new ATOM 0 HB2 CYS A 451 -0.533 -11.380 -11.235 1.00 0.00 H new ATOM 0 HB3 CYS A 451 0.660 -12.160 -10.216 1.00 0.00 H new ATOM 0 HG CYS A 451 0.417 -9.255 -9.795 1.00 0.00 H new ATOM 442 N PRO A 452 3.425 -11.591 -13.085 1.00 0.00 N ATOM 443 CA PRO A 452 4.890 -11.563 -13.060 1.00 0.00 C ATOM 444 C PRO A 452 5.434 -10.659 -11.960 1.00 0.00 C ATOM 445 O PRO A 452 6.639 -10.419 -11.879 1.00 0.00 O ATOM 446 CB PRO A 452 5.258 -11.009 -14.439 1.00 0.00 C ATOM 447 CG PRO A 452 4.071 -10.210 -14.855 1.00 0.00 C ATOM 448 CD PRO A 452 2.875 -10.910 -14.269 1.00 0.00 C ATOM 0 HA PRO A 452 5.313 -12.546 -12.854 1.00 0.00 H new ATOM 0 HB2 PRO A 452 6.154 -10.391 -14.391 1.00 0.00 H new ATOM 0 HB3 PRO A 452 5.462 -11.812 -15.147 1.00 0.00 H new ATOM 0 HG2 PRO A 452 4.142 -9.186 -14.489 1.00 0.00 H new ATOM 0 HG3 PRO A 452 3.998 -10.156 -15.941 1.00 0.00 H new ATOM 0 HD2 PRO A 452 2.089 -10.205 -13.998 1.00 0.00 H new ATOM 0 HD3 PRO A 452 2.439 -11.618 -14.973 1.00 0.00 H new ATOM 456 N TYR A 453 4.540 -10.161 -11.114 1.00 0.00 N ATOM 457 CA TYR A 453 4.931 -9.281 -10.019 1.00 0.00 C ATOM 458 C TYR A 453 4.581 -9.902 -8.670 1.00 0.00 C ATOM 459 O TYR A 453 4.120 -11.041 -8.599 1.00 0.00 O ATOM 460 CB TYR A 453 4.245 -7.921 -10.160 1.00 0.00 C ATOM 461 CG TYR A 453 4.848 -7.048 -11.238 1.00 0.00 C ATOM 462 CD1 TYR A 453 4.560 -7.269 -12.579 1.00 0.00 C ATOM 463 CD2 TYR A 453 5.705 -6.004 -10.916 1.00 0.00 C ATOM 464 CE1 TYR A 453 5.108 -6.475 -13.568 1.00 0.00 C ATOM 465 CE2 TYR A 453 6.257 -5.204 -11.897 1.00 0.00 C ATOM 466 CZ TYR A 453 5.955 -5.444 -13.222 1.00 0.00 C ATOM 467 OH TYR A 453 6.504 -4.650 -14.203 1.00 0.00 O ATOM 0 H TYR A 453 3.539 -10.352 -11.165 1.00 0.00 H new ATOM 0 HA TYR A 453 6.011 -9.142 -10.066 1.00 0.00 H new ATOM 0 HB2 TYR A 453 3.189 -8.077 -10.379 1.00 0.00 H new ATOM 0 HB3 TYR A 453 4.299 -7.396 -9.206 1.00 0.00 H new ATOM 0 HD1 TYR A 453 3.896 -8.076 -12.853 1.00 0.00 H new ATOM 0 HD2 TYR A 453 5.944 -5.814 -9.880 1.00 0.00 H new ATOM 0 HE1 TYR A 453 4.874 -6.661 -14.606 1.00 0.00 H new ATOM 0 HE2 TYR A 453 6.921 -4.395 -11.629 1.00 0.00 H new ATOM 0 HH TYR A 453 6.657 -3.750 -13.848 1.00 0.00 H new ATOM 477 N MET A 454 4.803 -9.144 -7.601 1.00 0.00 N ATOM 478 CA MET A 454 4.510 -9.618 -6.254 1.00 0.00 C ATOM 479 C MET A 454 3.194 -9.036 -5.747 1.00 0.00 C ATOM 480 O MET A 454 2.934 -7.842 -5.895 1.00 0.00 O ATOM 481 CB MET A 454 5.647 -9.244 -5.300 1.00 0.00 C ATOM 482 CG MET A 454 6.904 -10.076 -5.497 1.00 0.00 C ATOM 483 SD MET A 454 6.813 -11.677 -4.675 1.00 0.00 S ATOM 484 CE MET A 454 7.759 -11.349 -3.189 1.00 0.00 C ATOM 0 H MET A 454 5.185 -8.199 -7.642 1.00 0.00 H new ATOM 0 HA MET A 454 4.417 -10.703 -6.290 1.00 0.00 H new ATOM 0 HB2 MET A 454 5.893 -8.191 -5.436 1.00 0.00 H new ATOM 0 HB3 MET A 454 5.301 -9.360 -4.273 1.00 0.00 H new ATOM 0 HG2 MET A 454 7.071 -10.228 -6.563 1.00 0.00 H new ATOM 0 HG3 MET A 454 7.763 -9.525 -5.116 1.00 0.00 H new ATOM 0 HE1 MET A 454 7.961 -12.287 -2.672 1.00 0.00 H new ATOM 0 HE2 MET A 454 8.702 -10.872 -3.456 1.00 0.00 H new ATOM 0 HE3 MET A 454 7.191 -10.688 -2.534 1.00 0.00 H new ATOM 494 N HIS A 455 2.367 -9.888 -5.150 1.00 0.00 N ATOM 495 CA HIS A 455 1.077 -9.458 -4.622 1.00 0.00 C ATOM 496 C HIS A 455 1.050 -9.567 -3.100 1.00 0.00 C ATOM 497 O HIS A 455 1.160 -8.566 -2.394 1.00 0.00 O ATOM 498 CB HIS A 455 -0.050 -10.296 -5.225 1.00 0.00 C ATOM 499 CG HIS A 455 -0.514 -9.804 -6.561 1.00 0.00 C ATOM 500 ND1 HIS A 455 -1.568 -10.368 -7.247 1.00 0.00 N ATOM 501 CD2 HIS A 455 -0.061 -8.792 -7.338 1.00 0.00 C ATOM 502 CE1 HIS A 455 -1.743 -9.726 -8.389 1.00 0.00 C ATOM 503 NE2 HIS A 455 -0.841 -8.764 -8.467 1.00 0.00 N ATOM 0 H HIS A 455 2.567 -10.880 -5.020 1.00 0.00 H new ATOM 0 HA HIS A 455 0.929 -8.414 -4.897 1.00 0.00 H new ATOM 0 HB2 HIS A 455 0.289 -11.327 -5.325 1.00 0.00 H new ATOM 0 HB3 HIS A 455 -0.895 -10.303 -4.536 1.00 0.00 H new ATOM 0 HD1 HIS A 455 -2.126 -11.158 -6.924 1.00 0.00 H new ATOM 0 HD2 HIS A 455 0.761 -8.130 -7.111 1.00 0.00 H new ATOM 0 HE1 HIS A 455 -2.495 -9.950 -9.131 1.00 0.00 H new ATOM 511 N GLY A 456 0.901 -10.791 -2.602 1.00 0.00 N ATOM 512 CA GLY A 456 0.861 -11.008 -1.167 1.00 0.00 C ATOM 513 C GLY A 456 2.238 -10.968 -0.536 1.00 0.00 C ATOM 514 O GLY A 456 2.569 -10.028 0.187 1.00 0.00 O ATOM 0 H GLY A 456 0.807 -11.636 -3.166 1.00 0.00 H new ATOM 0 HA2 GLY A 456 0.231 -10.248 -0.705 1.00 0.00 H new ATOM 0 HA3 GLY A 456 0.398 -11.973 -0.961 1.00 0.00 H new ATOM 518 N ASP A 457 3.042 -11.989 -0.808 1.00 0.00 N ATOM 519 CA ASP A 457 4.392 -12.067 -0.261 1.00 0.00 C ATOM 520 C ASP A 457 4.967 -10.673 -0.033 1.00 0.00 C ATOM 521 O ASP A 457 5.592 -10.408 0.994 1.00 0.00 O ATOM 522 CB ASP A 457 5.301 -12.860 -1.201 1.00 0.00 C ATOM 523 CG ASP A 457 4.601 -14.059 -1.809 1.00 0.00 C ATOM 524 OD1 ASP A 457 3.725 -14.641 -1.134 1.00 0.00 O ATOM 525 OD2 ASP A 457 4.927 -14.416 -2.960 1.00 0.00 O ATOM 0 H ASP A 457 2.783 -12.775 -1.404 1.00 0.00 H new ATOM 0 HA ASP A 457 4.339 -12.580 0.699 1.00 0.00 H new ATOM 0 HB2 ASP A 457 5.653 -12.206 -1.999 1.00 0.00 H new ATOM 0 HB3 ASP A 457 6.181 -13.196 -0.653 1.00 0.00 H new ATOM 530 N PHE A 458 4.752 -9.785 -0.998 1.00 0.00 N ATOM 531 CA PHE A 458 5.250 -8.417 -0.904 1.00 0.00 C ATOM 532 C PHE A 458 4.913 -7.808 0.454 1.00 0.00 C ATOM 533 O PHE A 458 3.760 -7.784 0.883 1.00 0.00 O ATOM 534 CB PHE A 458 4.658 -7.558 -2.022 1.00 0.00 C ATOM 535 CG PHE A 458 5.459 -6.321 -2.316 1.00 0.00 C ATOM 536 CD1 PHE A 458 6.608 -6.391 -3.088 1.00 0.00 C ATOM 537 CD2 PHE A 458 5.063 -5.089 -1.821 1.00 0.00 C ATOM 538 CE1 PHE A 458 7.347 -5.256 -3.359 1.00 0.00 C ATOM 539 CE2 PHE A 458 5.798 -3.950 -2.089 1.00 0.00 C ATOM 540 CZ PHE A 458 6.941 -4.033 -2.860 1.00 0.00 C ATOM 0 H PHE A 458 4.236 -9.988 -1.854 1.00 0.00 H new ATOM 0 HA PHE A 458 6.334 -8.443 -1.012 1.00 0.00 H new ATOM 0 HB2 PHE A 458 4.584 -8.157 -2.929 1.00 0.00 H new ATOM 0 HB3 PHE A 458 3.644 -7.268 -1.748 1.00 0.00 H new ATOM 0 HD1 PHE A 458 6.929 -7.344 -3.482 1.00 0.00 H new ATOM 0 HD2 PHE A 458 4.169 -5.018 -1.219 1.00 0.00 H new ATOM 0 HE1 PHE A 458 8.241 -5.324 -3.960 1.00 0.00 H new ATOM 0 HE2 PHE A 458 5.479 -2.996 -1.696 1.00 0.00 H new ATOM 0 HZ PHE A 458 7.516 -3.144 -3.072 1.00 0.00 H new ATOM 550 N PRO A 459 5.945 -7.304 1.148 1.00 0.00 N ATOM 551 CA PRO A 459 5.784 -6.685 2.467 1.00 0.00 C ATOM 552 C PRO A 459 5.052 -5.349 2.396 1.00 0.00 C ATOM 553 O PRO A 459 5.437 -4.459 1.638 1.00 0.00 O ATOM 554 CB PRO A 459 7.225 -6.481 2.941 1.00 0.00 C ATOM 555 CG PRO A 459 8.027 -6.394 1.688 1.00 0.00 C ATOM 556 CD PRO A 459 7.347 -7.298 0.698 1.00 0.00 C ATOM 0 HA PRO A 459 5.184 -7.302 3.136 1.00 0.00 H new ATOM 0 HB2 PRO A 459 7.321 -5.573 3.536 1.00 0.00 H new ATOM 0 HB3 PRO A 459 7.557 -7.309 3.567 1.00 0.00 H new ATOM 0 HG2 PRO A 459 8.064 -5.369 1.319 1.00 0.00 H new ATOM 0 HG3 PRO A 459 9.056 -6.708 1.861 1.00 0.00 H new ATOM 0 HD2 PRO A 459 7.440 -6.921 -0.320 1.00 0.00 H new ATOM 0 HD3 PRO A 459 7.776 -8.300 0.708 1.00 0.00 H new ATOM 564 N CYS A 460 3.995 -5.216 3.190 1.00 0.00 N ATOM 565 CA CYS A 460 3.208 -3.989 3.217 1.00 0.00 C ATOM 566 C CYS A 460 4.110 -2.769 3.381 1.00 0.00 C ATOM 567 O CYS A 460 5.169 -2.845 4.003 1.00 0.00 O ATOM 568 CB CYS A 460 2.186 -4.039 4.355 1.00 0.00 C ATOM 569 SG CYS A 460 0.802 -2.871 4.162 1.00 0.00 S ATOM 0 H CYS A 460 3.664 -5.943 3.824 1.00 0.00 H new ATOM 0 HA CYS A 460 2.680 -3.904 2.267 1.00 0.00 H new ATOM 0 HB2 CYS A 460 1.787 -5.051 4.426 1.00 0.00 H new ATOM 0 HB3 CYS A 460 2.695 -3.830 5.296 1.00 0.00 H new ATOM 0 HG CYS A 460 0.242 -2.667 5.317 1.00 0.00 H new ATOM 574 N LYS A 461 3.681 -1.644 2.819 1.00 0.00 N ATOM 575 CA LYS A 461 4.446 -0.406 2.903 1.00 0.00 C ATOM 576 C LYS A 461 4.231 0.277 4.250 1.00 0.00 C ATOM 577 O LYS A 461 5.146 0.358 5.071 1.00 0.00 O ATOM 578 CB LYS A 461 4.049 0.542 1.769 1.00 0.00 C ATOM 579 CG LYS A 461 4.792 1.866 1.794 1.00 0.00 C ATOM 580 CD LYS A 461 4.238 2.836 0.765 1.00 0.00 C ATOM 581 CE LYS A 461 4.834 4.226 0.931 1.00 0.00 C ATOM 582 NZ LYS A 461 4.716 5.033 -0.315 1.00 0.00 N ATOM 0 H LYS A 461 2.807 -1.564 2.300 1.00 0.00 H new ATOM 0 HA LYS A 461 5.503 -0.655 2.807 1.00 0.00 H new ATOM 0 HB2 LYS A 461 4.233 0.050 0.814 1.00 0.00 H new ATOM 0 HB3 LYS A 461 2.978 0.735 1.827 1.00 0.00 H new ATOM 0 HG2 LYS A 461 4.718 2.307 2.788 1.00 0.00 H new ATOM 0 HG3 LYS A 461 5.851 1.694 1.600 1.00 0.00 H new ATOM 0 HD2 LYS A 461 4.451 2.465 -0.238 1.00 0.00 H new ATOM 0 HD3 LYS A 461 3.154 2.890 0.861 1.00 0.00 H new ATOM 0 HE2 LYS A 461 4.329 4.742 1.747 1.00 0.00 H new ATOM 0 HE3 LYS A 461 5.884 4.140 1.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 5.134 5.973 -0.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 5.219 4.553 -1.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 3.712 5.137 -0.567 1.00 0.00 H new ATOM 596 N LEU A 462 3.016 0.766 4.472 1.00 0.00 N ATOM 597 CA LEU A 462 2.679 1.441 5.721 1.00 0.00 C ATOM 598 C LEU A 462 3.237 0.679 6.919 1.00 0.00 C ATOM 599 O LEU A 462 4.046 1.208 7.682 1.00 0.00 O ATOM 600 CB LEU A 462 1.162 1.583 5.854 1.00 0.00 C ATOM 601 CG LEU A 462 0.514 2.680 5.010 1.00 0.00 C ATOM 602 CD1 LEU A 462 -1.002 2.598 5.099 1.00 0.00 C ATOM 603 CD2 LEU A 462 1.002 4.052 5.452 1.00 0.00 C ATOM 0 H LEU A 462 2.248 0.708 3.804 1.00 0.00 H new ATOM 0 HA LEU A 462 3.130 2.433 5.702 1.00 0.00 H new ATOM 0 HB2 LEU A 462 0.703 0.630 5.589 1.00 0.00 H new ATOM 0 HB3 LEU A 462 0.925 1.771 6.901 1.00 0.00 H new ATOM 0 HG LEU A 462 0.805 2.530 3.970 1.00 0.00 H new ATOM 0 HD11 LEU A 462 -1.445 3.387 4.492 1.00 0.00 H new ATOM 0 HD12 LEU A 462 -1.336 1.627 4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 462 -1.313 2.721 6.137 1.00 0.00 H new ATOM 0 HD21 LEU A 462 0.530 4.821 4.840 1.00 0.00 H new ATOM 0 HD22 LEU A 462 0.742 4.211 6.498 1.00 0.00 H new ATOM 0 HD23 LEU A 462 2.084 4.108 5.335 1.00 0.00 H new ATOM 615 N TYR A 463 2.802 -0.566 7.077 1.00 0.00 N ATOM 616 CA TYR A 463 3.258 -1.401 8.182 1.00 0.00 C ATOM 617 C TYR A 463 4.745 -1.189 8.447 1.00 0.00 C ATOM 618 O TYR A 463 5.227 -1.405 9.560 1.00 0.00 O ATOM 619 CB TYR A 463 2.987 -2.876 7.880 1.00 0.00 C ATOM 620 CG TYR A 463 3.494 -3.816 8.950 1.00 0.00 C ATOM 621 CD1 TYR A 463 2.781 -4.010 10.126 1.00 0.00 C ATOM 622 CD2 TYR A 463 4.686 -4.510 8.785 1.00 0.00 C ATOM 623 CE1 TYR A 463 3.240 -4.868 11.107 1.00 0.00 C ATOM 624 CE2 TYR A 463 5.153 -5.371 9.760 1.00 0.00 C ATOM 625 CZ TYR A 463 4.426 -5.546 10.919 1.00 0.00 C ATOM 626 OH TYR A 463 4.887 -6.402 11.893 1.00 0.00 O ATOM 0 H TYR A 463 2.134 -1.019 6.454 1.00 0.00 H new ATOM 0 HA TYR A 463 2.704 -1.112 9.075 1.00 0.00 H new ATOM 0 HB2 TYR A 463 1.914 -3.022 7.759 1.00 0.00 H new ATOM 0 HB3 TYR A 463 3.453 -3.135 6.930 1.00 0.00 H new ATOM 0 HD1 TYR A 463 1.852 -3.481 10.276 1.00 0.00 H new ATOM 0 HD2 TYR A 463 5.258 -4.374 7.879 1.00 0.00 H new ATOM 0 HE1 TYR A 463 2.673 -5.007 12.016 1.00 0.00 H new ATOM 0 HE2 TYR A 463 6.081 -5.903 9.615 1.00 0.00 H new ATOM 0 HH TYR A 463 5.734 -6.800 11.604 1.00 0.00 H new ATOM 636 N HIS A 464 5.469 -0.763 7.416 1.00 0.00 N ATOM 637 CA HIS A 464 6.902 -0.520 7.537 1.00 0.00 C ATOM 638 C HIS A 464 7.186 0.965 7.738 1.00 0.00 C ATOM 639 O HIS A 464 7.872 1.355 8.684 1.00 0.00 O ATOM 640 CB HIS A 464 7.633 -1.027 6.293 1.00 0.00 C ATOM 641 CG HIS A 464 7.833 -2.511 6.280 1.00 0.00 C ATOM 642 ND1 HIS A 464 8.281 -3.220 7.374 1.00 0.00 N ATOM 643 CD2 HIS A 464 7.643 -3.422 5.296 1.00 0.00 C ATOM 644 CE1 HIS A 464 8.359 -4.502 7.064 1.00 0.00 C ATOM 645 NE2 HIS A 464 7.977 -4.651 5.809 1.00 0.00 N ATOM 0 H HIS A 464 5.087 -0.579 6.488 1.00 0.00 H new ATOM 0 HA HIS A 464 7.265 -1.063 8.410 1.00 0.00 H new ATOM 0 HB2 HIS A 464 7.069 -0.737 5.407 1.00 0.00 H new ATOM 0 HB3 HIS A 464 8.604 -0.537 6.227 1.00 0.00 H new ATOM 0 HD1 HIS A 464 8.516 -2.818 8.281 1.00 0.00 H new ATOM 0 HD2 HIS A 464 7.294 -3.219 4.294 1.00 0.00 H new ATOM 0 HE1 HIS A 464 8.681 -5.293 7.725 1.00 0.00 H new ATOM 653 N THR A 465 6.655 1.791 6.841 1.00 0.00 N ATOM 654 CA THR A 465 6.853 3.233 6.919 1.00 0.00 C ATOM 655 C THR A 465 6.959 3.696 8.368 1.00 0.00 C ATOM 656 O THR A 465 7.812 4.517 8.708 1.00 0.00 O ATOM 657 CB THR A 465 5.705 3.996 6.231 1.00 0.00 C ATOM 658 OG1 THR A 465 4.472 3.744 6.913 1.00 0.00 O ATOM 659 CG2 THR A 465 5.579 3.581 4.773 1.00 0.00 C ATOM 0 H THR A 465 6.085 1.486 6.052 1.00 0.00 H new ATOM 0 HA THR A 465 7.787 3.452 6.401 1.00 0.00 H new ATOM 0 HB THR A 465 5.930 5.062 6.271 1.00 0.00 H new ATOM 0 HG1 THR A 465 4.484 2.838 7.286 1.00 0.00 H new ATOM 0 HG21 THR A 465 4.762 4.132 4.307 1.00 0.00 H new ATOM 0 HG22 THR A 465 6.510 3.801 4.250 1.00 0.00 H new ATOM 0 HG23 THR A 465 5.374 2.512 4.715 1.00 0.00 H new ATOM 667 N THR A 466 6.087 3.165 9.219 1.00 0.00 N ATOM 668 CA THR A 466 6.082 3.524 10.632 1.00 0.00 C ATOM 669 C THR A 466 6.140 2.283 11.515 1.00 0.00 C ATOM 670 O THR A 466 6.767 2.290 12.573 1.00 0.00 O ATOM 671 CB THR A 466 4.831 4.344 10.999 1.00 0.00 C ATOM 672 OG1 THR A 466 3.650 3.578 10.738 1.00 0.00 O ATOM 673 CG2 THR A 466 4.784 5.642 10.208 1.00 0.00 C ATOM 0 H THR A 466 5.375 2.485 8.954 1.00 0.00 H new ATOM 0 HA THR A 466 6.970 4.132 10.807 1.00 0.00 H new ATOM 0 HB THR A 466 4.880 4.585 12.061 1.00 0.00 H new ATOM 0 HG1 THR A 466 2.859 4.105 10.975 1.00 0.00 H new ATOM 0 HG21 THR A 466 3.892 6.204 10.484 1.00 0.00 H new ATOM 0 HG22 THR A 466 5.670 6.236 10.430 1.00 0.00 H new ATOM 0 HG23 THR A 466 4.756 5.417 9.142 1.00 0.00 H new ATOM 681 N GLY A 467 5.481 1.216 11.073 1.00 0.00 N ATOM 682 CA GLY A 467 5.470 -0.019 11.835 1.00 0.00 C ATOM 683 C GLY A 467 4.108 -0.683 11.844 1.00 0.00 C ATOM 684 O GLY A 467 4.005 -1.905 11.738 1.00 0.00 O ATOM 0 H GLY A 467 4.954 1.185 10.200 1.00 0.00 H new ATOM 0 HA2 GLY A 467 6.204 -0.708 11.416 1.00 0.00 H new ATOM 0 HA3 GLY A 467 5.777 0.188 12.860 1.00 0.00 H new ATOM 688 N ASN A 468 3.059 0.123 11.971 1.00 0.00 N ATOM 689 CA ASN A 468 1.696 -0.396 11.995 1.00 0.00 C ATOM 690 C ASN A 468 0.986 -0.122 10.672 1.00 0.00 C ATOM 691 O ASN A 468 1.511 0.580 9.807 1.00 0.00 O ATOM 692 CB ASN A 468 0.909 0.233 13.147 1.00 0.00 C ATOM 693 CG ASN A 468 1.763 0.444 14.383 1.00 0.00 C ATOM 694 OD1 ASN A 468 2.496 1.428 14.483 1.00 0.00 O ATOM 695 ND2 ASN A 468 1.673 -0.482 15.330 1.00 0.00 N ATOM 0 H ASN A 468 3.126 1.137 12.059 1.00 0.00 H new ATOM 0 HA ASN A 468 1.747 -1.475 12.144 1.00 0.00 H new ATOM 0 HB2 ASN A 468 0.500 1.190 12.824 1.00 0.00 H new ATOM 0 HB3 ASN A 468 0.063 -0.407 13.398 1.00 0.00 H new ATOM 0 HD21 ASN A 468 2.225 -0.394 16.183 1.00 0.00 H new ATOM 0 HD22 ASN A 468 1.052 -1.281 15.204 1.00 0.00 H new ATOM 702 N CYS A 469 -0.210 -0.682 10.522 1.00 0.00 N ATOM 703 CA CYS A 469 -0.992 -0.500 9.306 1.00 0.00 C ATOM 704 C CYS A 469 -2.416 -0.060 9.635 1.00 0.00 C ATOM 705 O CYS A 469 -3.156 -0.774 10.313 1.00 0.00 O ATOM 706 CB CYS A 469 -1.023 -1.797 8.495 1.00 0.00 C ATOM 707 SG CYS A 469 -1.480 -1.569 6.746 1.00 0.00 S ATOM 0 H CYS A 469 -0.658 -1.266 11.228 1.00 0.00 H new ATOM 0 HA CYS A 469 -0.517 0.281 8.713 1.00 0.00 H new ATOM 0 HB2 CYS A 469 -0.041 -2.268 8.545 1.00 0.00 H new ATOM 0 HB3 CYS A 469 -1.730 -2.485 8.958 1.00 0.00 H new ATOM 0 HG CYS A 469 -2.752 -1.313 6.660 1.00 0.00 H new ATOM 712 N ILE A 470 -2.792 1.119 9.152 1.00 0.00 N ATOM 713 CA ILE A 470 -4.126 1.654 9.394 1.00 0.00 C ATOM 714 C ILE A 470 -5.201 0.639 9.017 1.00 0.00 C ATOM 715 O ILE A 470 -6.281 0.616 9.606 1.00 0.00 O ATOM 716 CB ILE A 470 -4.364 2.954 8.604 1.00 0.00 C ATOM 717 CG1 ILE A 470 -5.743 3.530 8.931 1.00 0.00 C ATOM 718 CG2 ILE A 470 -4.231 2.698 7.110 1.00 0.00 C ATOM 719 CD1 ILE A 470 -5.857 4.061 10.343 1.00 0.00 C ATOM 0 H ILE A 470 -2.191 1.722 8.590 1.00 0.00 H new ATOM 0 HA ILE A 470 -4.191 1.870 10.460 1.00 0.00 H new ATOM 0 HB ILE A 470 -3.608 3.683 8.896 1.00 0.00 H new ATOM 0 HG12 ILE A 470 -5.968 4.334 8.230 1.00 0.00 H new ATOM 0 HG13 ILE A 470 -6.496 2.756 8.781 1.00 0.00 H new ATOM 0 HG21 ILE A 470 -4.402 3.626 6.565 1.00 0.00 H new ATOM 0 HG22 ILE A 470 -3.229 2.329 6.892 1.00 0.00 H new ATOM 0 HG23 ILE A 470 -4.967 1.955 6.801 1.00 0.00 H new ATOM 0 HD11 ILE A 470 -6.861 4.454 10.504 1.00 0.00 H new ATOM 0 HD12 ILE A 470 -5.664 3.255 11.051 1.00 0.00 H new ATOM 0 HD13 ILE A 470 -5.128 4.857 10.492 1.00 0.00 H new ATOM 731 N ASN A 471 -4.896 -0.199 8.032 1.00 0.00 N ATOM 732 CA ASN A 471 -5.836 -1.217 7.577 1.00 0.00 C ATOM 733 C ASN A 471 -6.377 -2.023 8.754 1.00 0.00 C ATOM 734 O ASN A 471 -7.574 -1.999 9.037 1.00 0.00 O ATOM 735 CB ASN A 471 -5.159 -2.153 6.572 1.00 0.00 C ATOM 736 CG ASN A 471 -4.829 -1.457 5.266 1.00 0.00 C ATOM 737 OD1 ASN A 471 -3.666 -1.177 4.976 1.00 0.00 O ATOM 738 ND2 ASN A 471 -5.854 -1.174 4.471 1.00 0.00 N ATOM 0 H ASN A 471 -4.006 -0.193 7.534 1.00 0.00 H new ATOM 0 HA ASN A 471 -6.671 -0.713 7.090 1.00 0.00 H new ATOM 0 HB2 ASN A 471 -4.244 -2.551 7.010 1.00 0.00 H new ATOM 0 HB3 ASN A 471 -5.813 -3.002 6.373 1.00 0.00 H new ATOM 0 HD21 ASN A 471 -5.694 -0.706 3.579 1.00 0.00 H new ATOM 0 HD22 ASN A 471 -6.802 -1.425 4.752 1.00 0.00 H new ATOM 745 N GLY A 472 -5.486 -2.735 9.437 1.00 0.00 N ATOM 746 CA GLY A 472 -5.893 -3.538 10.575 1.00 0.00 C ATOM 747 C GLY A 472 -5.121 -4.838 10.674 1.00 0.00 C ATOM 748 O GLY A 472 -4.060 -4.986 10.066 1.00 0.00 O ATOM 0 H GLY A 472 -4.489 -2.770 9.222 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -5.750 -2.964 11.490 1.00 0.00 H new ATOM 0 HA3 GLY A 472 -6.958 -3.757 10.499 1.00 0.00 H new ATOM 752 N ASP A 473 -5.652 -5.783 11.442 1.00 0.00 N ATOM 753 CA ASP A 473 -5.006 -7.078 11.619 1.00 0.00 C ATOM 754 C ASP A 473 -5.077 -7.901 10.337 1.00 0.00 C ATOM 755 O ASP A 473 -4.134 -8.612 9.990 1.00 0.00 O ATOM 756 CB ASP A 473 -5.659 -7.845 12.769 1.00 0.00 C ATOM 757 CG ASP A 473 -6.124 -6.930 13.885 1.00 0.00 C ATOM 758 OD1 ASP A 473 -5.289 -6.168 14.416 1.00 0.00 O ATOM 759 OD2 ASP A 473 -7.324 -6.976 14.227 1.00 0.00 O ATOM 0 H ASP A 473 -6.529 -5.676 11.952 1.00 0.00 H new ATOM 0 HA ASP A 473 -3.957 -6.903 11.859 1.00 0.00 H new ATOM 0 HB2 ASP A 473 -6.510 -8.410 12.388 1.00 0.00 H new ATOM 0 HB3 ASP A 473 -4.949 -8.569 13.169 1.00 0.00 H new ATOM 764 N ASP A 474 -6.202 -7.799 9.637 1.00 0.00 N ATOM 765 CA ASP A 474 -6.397 -8.534 8.393 1.00 0.00 C ATOM 766 C ASP A 474 -6.147 -7.636 7.186 1.00 0.00 C ATOM 767 O ASP A 474 -7.060 -7.350 6.410 1.00 0.00 O ATOM 768 CB ASP A 474 -7.814 -9.108 8.331 1.00 0.00 C ATOM 769 CG ASP A 474 -8.074 -10.125 9.425 1.00 0.00 C ATOM 770 OD1 ASP A 474 -7.509 -9.968 10.527 1.00 0.00 O ATOM 771 OD2 ASP A 474 -8.843 -11.078 9.179 1.00 0.00 O ATOM 0 H ASP A 474 -6.992 -7.215 9.910 1.00 0.00 H new ATOM 0 HA ASP A 474 -5.679 -9.354 8.369 1.00 0.00 H new ATOM 0 HB2 ASP A 474 -8.536 -8.296 8.415 1.00 0.00 H new ATOM 0 HB3 ASP A 474 -7.971 -9.576 7.359 1.00 0.00 H new ATOM 776 N CYS A 475 -4.903 -7.192 7.033 1.00 0.00 N ATOM 777 CA CYS A 475 -4.532 -6.324 5.922 1.00 0.00 C ATOM 778 C CYS A 475 -4.364 -7.129 4.636 1.00 0.00 C ATOM 779 O CYS A 475 -4.028 -8.312 4.672 1.00 0.00 O ATOM 780 CB CYS A 475 -3.235 -5.578 6.242 1.00 0.00 C ATOM 781 SG CYS A 475 -2.847 -4.230 5.080 1.00 0.00 S ATOM 0 H CYS A 475 -4.135 -7.419 7.665 1.00 0.00 H new ATOM 0 HA CYS A 475 -5.334 -5.600 5.775 1.00 0.00 H new ATOM 0 HB2 CYS A 475 -3.304 -5.167 7.249 1.00 0.00 H new ATOM 0 HB3 CYS A 475 -2.410 -6.290 6.244 1.00 0.00 H new ATOM 0 HG CYS A 475 -2.144 -3.321 5.688 1.00 0.00 H new ATOM 786 N MET A 476 -4.601 -6.477 3.502 1.00 0.00 N ATOM 787 CA MET A 476 -4.475 -7.132 2.205 1.00 0.00 C ATOM 788 C MET A 476 -3.013 -7.429 1.886 1.00 0.00 C ATOM 789 O MET A 476 -2.711 -8.271 1.040 1.00 0.00 O ATOM 790 CB MET A 476 -5.080 -6.255 1.107 1.00 0.00 C ATOM 791 CG MET A 476 -4.299 -4.977 0.850 1.00 0.00 C ATOM 792 SD MET A 476 -2.855 -5.244 -0.197 1.00 0.00 S ATOM 793 CE MET A 476 -3.617 -5.305 -1.816 1.00 0.00 C ATOM 0 H MET A 476 -4.881 -5.497 3.455 1.00 0.00 H new ATOM 0 HA MET A 476 -5.018 -8.076 2.248 1.00 0.00 H new ATOM 0 HB2 MET A 476 -5.134 -6.830 0.183 1.00 0.00 H new ATOM 0 HB3 MET A 476 -6.103 -5.997 1.382 1.00 0.00 H new ATOM 0 HG2 MET A 476 -4.954 -4.244 0.379 1.00 0.00 H new ATOM 0 HG3 MET A 476 -3.979 -4.553 1.802 1.00 0.00 H new ATOM 0 HE1 MET A 476 -2.861 -5.127 -2.581 1.00 0.00 H new ATOM 0 HE2 MET A 476 -4.065 -6.287 -1.970 1.00 0.00 H new ATOM 0 HE3 MET A 476 -4.389 -4.539 -1.884 1.00 0.00 H new ATOM 803 N PHE A 477 -2.110 -6.733 2.568 1.00 0.00 N ATOM 804 CA PHE A 477 -0.679 -6.922 2.356 1.00 0.00 C ATOM 805 C PHE A 477 -0.075 -7.784 3.461 1.00 0.00 C ATOM 806 O PHE A 477 -0.612 -7.862 4.566 1.00 0.00 O ATOM 807 CB PHE A 477 0.033 -5.569 2.302 1.00 0.00 C ATOM 808 CG PHE A 477 -0.149 -4.848 0.997 1.00 0.00 C ATOM 809 CD1 PHE A 477 0.140 -5.476 -0.203 1.00 0.00 C ATOM 810 CD2 PHE A 477 -0.608 -3.541 0.971 1.00 0.00 C ATOM 811 CE1 PHE A 477 -0.026 -4.816 -1.406 1.00 0.00 C ATOM 812 CE2 PHE A 477 -0.777 -2.875 -0.229 1.00 0.00 C ATOM 813 CZ PHE A 477 -0.484 -3.513 -1.418 1.00 0.00 C ATOM 0 H PHE A 477 -2.343 -6.033 3.272 1.00 0.00 H new ATOM 0 HA PHE A 477 -0.542 -7.435 1.404 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -0.338 -4.939 3.111 1.00 0.00 H new ATOM 0 HB3 PHE A 477 1.098 -5.720 2.479 1.00 0.00 H new ATOM 0 HD1 PHE A 477 0.500 -6.494 -0.199 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -0.836 -3.037 1.898 1.00 0.00 H new ATOM 0 HE1 PHE A 477 0.202 -5.318 -2.335 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -1.138 -1.857 -0.236 1.00 0.00 H new ATOM 0 HZ PHE A 477 -0.613 -2.994 -2.356 1.00 0.00 H new ATOM 823 N SER A 478 1.045 -8.430 3.153 1.00 0.00 N ATOM 824 CA SER A 478 1.721 -9.290 4.118 1.00 0.00 C ATOM 825 C SER A 478 2.527 -8.461 5.113 1.00 0.00 C ATOM 826 O SER A 478 3.120 -7.443 4.755 1.00 0.00 O ATOM 827 CB SER A 478 2.640 -10.277 3.396 1.00 0.00 C ATOM 828 OG SER A 478 1.891 -11.282 2.735 1.00 0.00 O ATOM 0 H SER A 478 1.503 -8.374 2.244 1.00 0.00 H new ATOM 0 HA SER A 478 0.961 -9.847 4.667 1.00 0.00 H new ATOM 0 HB2 SER A 478 3.256 -9.743 2.672 1.00 0.00 H new ATOM 0 HB3 SER A 478 3.319 -10.738 4.113 1.00 0.00 H new ATOM 0 HG SER A 478 2.502 -11.899 2.280 1.00 0.00 H new ATOM 834 N HIS A 479 2.544 -8.904 6.366 1.00 0.00 N ATOM 835 CA HIS A 479 3.277 -8.205 7.415 1.00 0.00 C ATOM 836 C HIS A 479 4.420 -9.065 7.946 1.00 0.00 C ATOM 837 O HIS A 479 4.736 -9.030 9.135 1.00 0.00 O ATOM 838 CB HIS A 479 2.336 -7.825 8.559 1.00 0.00 C ATOM 839 CG HIS A 479 1.405 -6.701 8.220 1.00 0.00 C ATOM 840 ND1 HIS A 479 0.668 -6.023 9.168 1.00 0.00 N ATOM 841 CD2 HIS A 479 1.094 -6.137 7.029 1.00 0.00 C ATOM 842 CE1 HIS A 479 -0.057 -5.091 8.574 1.00 0.00 C ATOM 843 NE2 HIS A 479 0.184 -5.139 7.277 1.00 0.00 N ATOM 0 H HIS A 479 2.058 -9.744 6.680 1.00 0.00 H new ATOM 0 HA HIS A 479 3.699 -7.297 6.984 1.00 0.00 H new ATOM 0 HB2 HIS A 479 1.749 -8.699 8.842 1.00 0.00 H new ATOM 0 HB3 HIS A 479 2.930 -7.544 9.429 1.00 0.00 H new ATOM 0 HD2 HIS A 479 1.488 -6.419 6.064 1.00 0.00 H new ATOM 0 HE1 HIS A 479 -0.732 -4.406 9.066 1.00 0.00 H new ATOM 0 HE2 HIS A 479 -0.237 -4.533 6.573 1.00 0.00 H new ATOM 851 N ASP A 480 5.034 -9.838 7.057 1.00 0.00 N ATOM 852 CA ASP A 480 6.142 -10.707 7.435 1.00 0.00 C ATOM 853 C ASP A 480 7.406 -9.894 7.698 1.00 0.00 C ATOM 854 O ASP A 480 7.534 -8.746 7.274 1.00 0.00 O ATOM 855 CB ASP A 480 6.404 -11.741 6.339 1.00 0.00 C ATOM 856 CG ASP A 480 5.602 -13.012 6.538 1.00 0.00 C ATOM 857 OD1 ASP A 480 5.215 -13.294 7.691 1.00 0.00 O ATOM 858 OD2 ASP A 480 5.362 -13.725 5.541 1.00 0.00 O ATOM 0 H ASP A 480 4.783 -9.880 6.069 1.00 0.00 H new ATOM 0 HA ASP A 480 5.868 -11.225 8.354 1.00 0.00 H new ATOM 0 HB2 ASP A 480 6.159 -11.308 5.369 1.00 0.00 H new ATOM 0 HB3 ASP A 480 7.466 -11.984 6.320 1.00 0.00 H new ATOM 863 N PRO A 481 8.362 -10.503 8.415 1.00 0.00 N ATOM 864 CA PRO A 481 9.633 -9.854 8.751 1.00 0.00 C ATOM 865 C PRO A 481 10.529 -9.667 7.531 1.00 0.00 C ATOM 866 O PRO A 481 10.963 -10.639 6.912 1.00 0.00 O ATOM 867 CB PRO A 481 10.277 -10.825 9.743 1.00 0.00 C ATOM 868 CG PRO A 481 9.680 -12.151 9.416 1.00 0.00 C ATOM 869 CD PRO A 481 8.278 -11.871 8.952 1.00 0.00 C ATOM 0 HA PRO A 481 9.484 -8.851 9.151 1.00 0.00 H new ATOM 0 HB2 PRO A 481 11.361 -10.841 9.634 1.00 0.00 H new ATOM 0 HB3 PRO A 481 10.064 -10.538 10.773 1.00 0.00 H new ATOM 0 HG2 PRO A 481 10.254 -12.657 8.640 1.00 0.00 H new ATOM 0 HG3 PRO A 481 9.679 -12.804 10.288 1.00 0.00 H new ATOM 0 HD2 PRO A 481 7.957 -12.582 8.191 1.00 0.00 H new ATOM 0 HD3 PRO A 481 7.563 -11.937 9.772 1.00 0.00 H new ATOM 877 N LEU A 482 10.803 -8.412 7.191 1.00 0.00 N ATOM 878 CA LEU A 482 11.648 -8.098 6.044 1.00 0.00 C ATOM 879 C LEU A 482 12.834 -9.053 5.964 1.00 0.00 C ATOM 880 O LEU A 482 13.359 -9.497 6.986 1.00 0.00 O ATOM 881 CB LEU A 482 12.147 -6.654 6.134 1.00 0.00 C ATOM 882 CG LEU A 482 11.154 -5.573 5.704 1.00 0.00 C ATOM 883 CD1 LEU A 482 11.739 -4.189 5.938 1.00 0.00 C ATOM 884 CD2 LEU A 482 10.771 -5.753 4.243 1.00 0.00 C ATOM 0 H LEU A 482 10.453 -7.596 7.693 1.00 0.00 H new ATOM 0 HA LEU A 482 11.050 -8.214 5.140 1.00 0.00 H new ATOM 0 HB2 LEU A 482 12.445 -6.457 7.164 1.00 0.00 H new ATOM 0 HB3 LEU A 482 13.043 -6.561 5.520 1.00 0.00 H new ATOM 0 HG LEU A 482 10.253 -5.671 6.309 1.00 0.00 H new ATOM 0 HD11 LEU A 482 11.019 -3.432 5.626 1.00 0.00 H new ATOM 0 HD12 LEU A 482 11.963 -4.063 6.997 1.00 0.00 H new ATOM 0 HD13 LEU A 482 12.655 -4.079 5.358 1.00 0.00 H new ATOM 0 HD21 LEU A 482 10.064 -4.976 3.954 1.00 0.00 H new ATOM 0 HD22 LEU A 482 11.664 -5.681 3.621 1.00 0.00 H new ATOM 0 HD23 LEU A 482 10.311 -6.731 4.105 1.00 0.00 H new ATOM 896 N THR A 483 13.254 -9.366 4.742 1.00 0.00 N ATOM 897 CA THR A 483 14.379 -10.268 4.528 1.00 0.00 C ATOM 898 C THR A 483 15.446 -9.618 3.654 1.00 0.00 C ATOM 899 O THR A 483 15.157 -8.704 2.883 1.00 0.00 O ATOM 900 CB THR A 483 13.925 -11.585 3.870 1.00 0.00 C ATOM 901 OG1 THR A 483 13.323 -11.316 2.600 1.00 0.00 O ATOM 902 CG2 THR A 483 12.936 -12.322 4.761 1.00 0.00 C ATOM 0 H THR A 483 12.832 -9.008 3.885 1.00 0.00 H new ATOM 0 HA THR A 483 14.800 -10.487 5.509 1.00 0.00 H new ATOM 0 HB THR A 483 14.802 -12.216 3.729 1.00 0.00 H new ATOM 0 HG1 THR A 483 12.682 -10.581 2.691 1.00 0.00 H new ATOM 0 HG21 THR A 483 12.630 -13.249 4.276 1.00 0.00 H new ATOM 0 HG22 THR A 483 13.408 -12.552 5.716 1.00 0.00 H new ATOM 0 HG23 THR A 483 12.061 -11.694 4.930 1.00 0.00 H new ATOM 910 N GLU A 484 16.680 -10.097 3.780 1.00 0.00 N ATOM 911 CA GLU A 484 17.789 -9.561 3.001 1.00 0.00 C ATOM 912 C GLU A 484 17.358 -9.273 1.566 1.00 0.00 C ATOM 913 O GLU A 484 17.839 -8.329 0.940 1.00 0.00 O ATOM 914 CB GLU A 484 18.964 -10.541 3.005 1.00 0.00 C ATOM 915 CG GLU A 484 20.098 -10.137 2.077 1.00 0.00 C ATOM 916 CD GLU A 484 20.775 -8.851 2.510 1.00 0.00 C ATOM 917 OE1 GLU A 484 21.469 -8.866 3.548 1.00 0.00 O ATOM 918 OE2 GLU A 484 20.610 -7.829 1.812 1.00 0.00 O ATOM 0 H GLU A 484 16.936 -10.854 4.414 1.00 0.00 H new ATOM 0 HA GLU A 484 18.104 -8.625 3.462 1.00 0.00 H new ATOM 0 HB2 GLU A 484 19.350 -10.627 4.021 1.00 0.00 H new ATOM 0 HB3 GLU A 484 18.604 -11.528 2.716 1.00 0.00 H new ATOM 0 HG2 GLU A 484 20.836 -10.938 2.041 1.00 0.00 H new ATOM 0 HG3 GLU A 484 19.710 -10.016 1.066 1.00 0.00 H new ATOM 925 N GLU A 485 16.448 -10.095 1.052 1.00 0.00 N ATOM 926 CA GLU A 485 15.952 -9.929 -0.310 1.00 0.00 C ATOM 927 C GLU A 485 14.883 -8.842 -0.371 1.00 0.00 C ATOM 928 O GLU A 485 15.136 -7.731 -0.840 1.00 0.00 O ATOM 929 CB GLU A 485 15.383 -11.249 -0.833 1.00 0.00 C ATOM 930 CG GLU A 485 16.449 -12.263 -1.214 1.00 0.00 C ATOM 931 CD GLU A 485 17.279 -11.818 -2.404 1.00 0.00 C ATOM 932 OE1 GLU A 485 16.722 -11.745 -3.519 1.00 0.00 O ATOM 933 OE2 GLU A 485 18.483 -11.544 -2.219 1.00 0.00 O ATOM 0 H GLU A 485 16.040 -10.881 1.557 1.00 0.00 H new ATOM 0 HA GLU A 485 16.789 -9.627 -0.940 1.00 0.00 H new ATOM 0 HB2 GLU A 485 14.736 -11.683 -0.071 1.00 0.00 H new ATOM 0 HB3 GLU A 485 14.759 -11.046 -1.703 1.00 0.00 H new ATOM 0 HG2 GLU A 485 17.106 -12.432 -0.361 1.00 0.00 H new ATOM 0 HG3 GLU A 485 15.973 -13.216 -1.444 1.00 0.00 H new ATOM 940 N THR A 486 13.686 -9.170 0.106 1.00 0.00 N ATOM 941 CA THR A 486 12.578 -8.224 0.104 1.00 0.00 C ATOM 942 C THR A 486 13.045 -6.828 0.500 1.00 0.00 C ATOM 943 O THR A 486 12.744 -5.846 -0.179 1.00 0.00 O ATOM 944 CB THR A 486 11.458 -8.669 1.063 1.00 0.00 C ATOM 945 OG1 THR A 486 12.013 -9.022 2.335 1.00 0.00 O ATOM 946 CG2 THR A 486 10.695 -9.854 0.491 1.00 0.00 C ATOM 0 H THR A 486 13.460 -10.084 0.499 1.00 0.00 H new ATOM 0 HA THR A 486 12.187 -8.198 -0.913 1.00 0.00 H new ATOM 0 HB THR A 486 10.765 -7.837 1.188 1.00 0.00 H new ATOM 0 HG1 THR A 486 11.288 -9.179 2.976 1.00 0.00 H new ATOM 0 HG21 THR A 486 9.909 -10.150 1.186 1.00 0.00 H new ATOM 0 HG22 THR A 486 10.249 -9.573 -0.463 1.00 0.00 H new ATOM 0 HG23 THR A 486 11.379 -10.689 0.340 1.00 0.00 H new ATOM 954 N ARG A 487 13.783 -6.747 1.603 1.00 0.00 N ATOM 955 CA ARG A 487 14.292 -5.470 2.090 1.00 0.00 C ATOM 956 C ARG A 487 14.773 -4.600 0.932 1.00 0.00 C ATOM 957 O ARG A 487 14.448 -3.415 0.858 1.00 0.00 O ATOM 958 CB ARG A 487 15.435 -5.697 3.080 1.00 0.00 C ATOM 959 CG ARG A 487 15.578 -4.588 4.110 1.00 0.00 C ATOM 960 CD ARG A 487 16.291 -3.377 3.528 1.00 0.00 C ATOM 961 NE ARG A 487 16.293 -2.247 4.453 1.00 0.00 N ATOM 962 CZ ARG A 487 15.286 -1.388 4.566 1.00 0.00 C ATOM 963 NH1 ARG A 487 14.202 -1.530 3.816 1.00 0.00 N ATOM 964 NH2 ARG A 487 15.362 -0.384 5.431 1.00 0.00 N ATOM 0 H ARG A 487 14.042 -7.550 2.176 1.00 0.00 H new ATOM 0 HA ARG A 487 13.478 -4.952 2.598 1.00 0.00 H new ATOM 0 HB2 ARG A 487 15.274 -6.643 3.597 1.00 0.00 H new ATOM 0 HB3 ARG A 487 16.370 -5.791 2.527 1.00 0.00 H new ATOM 0 HG2 ARG A 487 14.592 -4.294 4.469 1.00 0.00 H new ATOM 0 HG3 ARG A 487 16.133 -4.959 4.972 1.00 0.00 H new ATOM 0 HD2 ARG A 487 17.318 -3.645 3.281 1.00 0.00 H new ATOM 0 HD3 ARG A 487 15.806 -3.083 2.597 1.00 0.00 H new ATOM 0 HE ARG A 487 17.112 -2.110 5.045 1.00 0.00 H new ATOM 0 HH11 ARG A 487 14.140 -2.300 3.150 1.00 0.00 H new ATOM 0 HH12 ARG A 487 13.430 -0.869 3.905 1.00 0.00 H new ATOM 0 HH21 ARG A 487 16.194 -0.271 6.010 1.00 0.00 H new ATOM 0 HH22 ARG A 487 14.588 0.275 5.517 1.00 0.00 H new ATOM 978 N GLU A 488 15.548 -5.196 0.032 1.00 0.00 N ATOM 979 CA GLU A 488 16.074 -4.474 -1.120 1.00 0.00 C ATOM 980 C GLU A 488 14.942 -3.968 -2.008 1.00 0.00 C ATOM 981 O GLU A 488 14.943 -2.814 -2.439 1.00 0.00 O ATOM 982 CB GLU A 488 17.009 -5.374 -1.931 1.00 0.00 C ATOM 983 CG GLU A 488 18.399 -5.506 -1.331 1.00 0.00 C ATOM 984 CD GLU A 488 19.471 -5.718 -2.382 1.00 0.00 C ATOM 985 OE1 GLU A 488 19.180 -6.384 -3.398 1.00 0.00 O ATOM 986 OE2 GLU A 488 20.599 -5.220 -2.189 1.00 0.00 O ATOM 0 H GLU A 488 15.825 -6.176 0.078 1.00 0.00 H new ATOM 0 HA GLU A 488 16.636 -3.616 -0.752 1.00 0.00 H new ATOM 0 HB2 GLU A 488 16.563 -6.365 -2.015 1.00 0.00 H new ATOM 0 HB3 GLU A 488 17.095 -4.977 -2.942 1.00 0.00 H new ATOM 0 HG2 GLU A 488 18.630 -4.608 -0.758 1.00 0.00 H new ATOM 0 HG3 GLU A 488 18.411 -6.342 -0.632 1.00 0.00 H new ATOM 993 N LEU A 489 13.976 -4.839 -2.280 1.00 0.00 N ATOM 994 CA LEU A 489 12.836 -4.482 -3.117 1.00 0.00 C ATOM 995 C LEU A 489 12.274 -3.121 -2.721 1.00 0.00 C ATOM 996 O LEU A 489 12.278 -2.180 -3.516 1.00 0.00 O ATOM 997 CB LEU A 489 11.745 -5.548 -3.009 1.00 0.00 C ATOM 998 CG LEU A 489 12.131 -6.953 -3.474 1.00 0.00 C ATOM 999 CD1 LEU A 489 11.047 -7.954 -3.104 1.00 0.00 C ATOM 1000 CD2 LEU A 489 12.384 -6.968 -4.974 1.00 0.00 C ATOM 0 H LEU A 489 13.960 -5.798 -1.933 1.00 0.00 H new ATOM 0 HA LEU A 489 13.179 -4.426 -4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 489 11.424 -5.607 -1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 489 10.884 -5.218 -3.590 1.00 0.00 H new ATOM 0 HG LEU A 489 13.052 -7.242 -2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 489 11.339 -8.948 -3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 489 10.915 -7.964 -2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 489 10.110 -7.669 -3.582 1.00 0.00 H new ATOM 0 HD21 LEU A 489 12.657 -7.976 -5.287 1.00 0.00 H new ATOM 0 HD22 LEU A 489 11.480 -6.658 -5.499 1.00 0.00 H new ATOM 0 HD23 LEU A 489 13.196 -6.281 -5.213 1.00 0.00 H new ATOM 1012 N LEU A 490 11.794 -3.022 -1.486 1.00 0.00 N ATOM 1013 CA LEU A 490 11.230 -1.775 -0.982 1.00 0.00 C ATOM 1014 C LEU A 490 12.076 -0.581 -1.414 1.00 0.00 C ATOM 1015 O LEU A 490 11.600 0.306 -2.122 1.00 0.00 O ATOM 1016 CB LEU A 490 11.130 -1.817 0.544 1.00 0.00 C ATOM 1017 CG LEU A 490 9.967 -2.627 1.118 1.00 0.00 C ATOM 1018 CD1 LEU A 490 10.065 -2.702 2.634 1.00 0.00 C ATOM 1019 CD2 LEU A 490 8.636 -2.020 0.697 1.00 0.00 C ATOM 0 H LEU A 490 11.784 -3.790 -0.815 1.00 0.00 H new ATOM 0 HA LEU A 490 10.231 -1.661 -1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 490 12.061 -2.226 0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 490 11.050 -0.794 0.911 1.00 0.00 H new ATOM 0 HG LEU A 490 10.024 -3.640 0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 490 9.229 -3.282 3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 490 11.002 -3.182 2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 490 10.034 -1.695 3.051 1.00 0.00 H new ATOM 0 HD21 LEU A 490 7.819 -2.609 1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 490 8.570 -0.996 1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 490 8.564 -2.019 -0.391 1.00 0.00 H new ATOM 1031 N ASP A 491 13.333 -0.567 -0.984 1.00 0.00 N ATOM 1032 CA ASP A 491 14.247 0.516 -1.329 1.00 0.00 C ATOM 1033 C ASP A 491 14.053 0.949 -2.779 1.00 0.00 C ATOM 1034 O ASP A 491 13.953 2.140 -3.075 1.00 0.00 O ATOM 1035 CB ASP A 491 15.696 0.081 -1.103 1.00 0.00 C ATOM 1036 CG ASP A 491 15.973 -0.278 0.344 1.00 0.00 C ATOM 1037 OD1 ASP A 491 15.072 -0.843 0.998 1.00 0.00 O ATOM 1038 OD2 ASP A 491 17.091 0.007 0.822 1.00 0.00 O ATOM 0 H ASP A 491 13.742 -1.293 -0.396 1.00 0.00 H new ATOM 0 HA ASP A 491 14.026 1.365 -0.682 1.00 0.00 H new ATOM 0 HB2 ASP A 491 15.918 -0.778 -1.736 1.00 0.00 H new ATOM 0 HB3 ASP A 491 16.366 0.884 -1.410 1.00 0.00 H new ATOM 1043 N LYS A 492 14.002 -0.026 -3.681 1.00 0.00 N ATOM 1044 CA LYS A 492 13.821 0.253 -5.100 1.00 0.00 C ATOM 1045 C LYS A 492 12.423 0.798 -5.373 1.00 0.00 C ATOM 1046 O LYS A 492 12.256 1.754 -6.130 1.00 0.00 O ATOM 1047 CB LYS A 492 14.056 -1.015 -5.924 1.00 0.00 C ATOM 1048 CG LYS A 492 14.310 -0.745 -7.397 1.00 0.00 C ATOM 1049 CD LYS A 492 15.689 -0.148 -7.624 1.00 0.00 C ATOM 1050 CE LYS A 492 16.215 -0.472 -9.014 1.00 0.00 C ATOM 1051 NZ LYS A 492 16.591 -1.907 -9.144 1.00 0.00 N ATOM 0 H LYS A 492 14.084 -1.017 -3.454 1.00 0.00 H new ATOM 0 HA LYS A 492 14.550 1.009 -5.392 1.00 0.00 H new ATOM 0 HB2 LYS A 492 14.908 -1.555 -5.510 1.00 0.00 H new ATOM 0 HB3 LYS A 492 13.188 -1.667 -5.827 1.00 0.00 H new ATOM 0 HG2 LYS A 492 14.217 -1.674 -7.960 1.00 0.00 H new ATOM 0 HG3 LYS A 492 13.550 -0.064 -7.779 1.00 0.00 H new ATOM 0 HD2 LYS A 492 15.644 0.933 -7.494 1.00 0.00 H new ATOM 0 HD3 LYS A 492 16.381 -0.531 -6.874 1.00 0.00 H new ATOM 0 HE2 LYS A 492 15.455 -0.227 -9.756 1.00 0.00 H new ATOM 0 HE3 LYS A 492 17.083 0.152 -9.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 17.213 -2.030 -9.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 17.090 -2.214 -8.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 15.733 -2.481 -9.270 1.00 0.00 H new ATOM 1065 N MET A 493 11.421 0.185 -4.751 1.00 0.00 N ATOM 1066 CA MET A 493 10.038 0.611 -4.925 1.00 0.00 C ATOM 1067 C MET A 493 9.870 2.080 -4.552 1.00 0.00 C ATOM 1068 O MET A 493 9.475 2.901 -5.382 1.00 0.00 O ATOM 1069 CB MET A 493 9.105 -0.253 -4.074 1.00 0.00 C ATOM 1070 CG MET A 493 7.639 -0.123 -4.457 1.00 0.00 C ATOM 1071 SD MET A 493 6.871 1.358 -3.771 1.00 0.00 S ATOM 1072 CE MET A 493 6.659 0.868 -2.061 1.00 0.00 C ATOM 0 H MET A 493 11.542 -0.609 -4.122 1.00 0.00 H new ATOM 0 HA MET A 493 9.776 0.489 -5.976 1.00 0.00 H new ATOM 0 HB2 MET A 493 9.405 -1.297 -4.166 1.00 0.00 H new ATOM 0 HB3 MET A 493 9.224 0.022 -3.026 1.00 0.00 H new ATOM 0 HG2 MET A 493 7.552 -0.103 -5.543 1.00 0.00 H new ATOM 0 HG3 MET A 493 7.097 -1.003 -4.110 1.00 0.00 H new ATOM 0 HE1 MET A 493 6.715 1.748 -1.421 1.00 0.00 H new ATOM 0 HE2 MET A 493 5.687 0.390 -1.937 1.00 0.00 H new ATOM 0 HE3 MET A 493 7.446 0.167 -1.783 1.00 0.00 H new ATOM 1082 N LEU A 494 10.173 2.406 -3.300 1.00 0.00 N ATOM 1083 CA LEU A 494 10.056 3.778 -2.817 1.00 0.00 C ATOM 1084 C LEU A 494 10.844 4.737 -3.704 1.00 0.00 C ATOM 1085 O LEU A 494 10.416 5.864 -3.950 1.00 0.00 O ATOM 1086 CB LEU A 494 10.552 3.875 -1.374 1.00 0.00 C ATOM 1087 CG LEU A 494 9.600 3.348 -0.300 1.00 0.00 C ATOM 1088 CD1 LEU A 494 8.309 4.151 -0.290 1.00 0.00 C ATOM 1089 CD2 LEU A 494 9.310 1.871 -0.523 1.00 0.00 C ATOM 0 H LEU A 494 10.501 1.739 -2.601 1.00 0.00 H new ATOM 0 HA LEU A 494 9.004 4.061 -2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 494 11.492 3.329 -1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 494 10.771 4.920 -1.156 1.00 0.00 H new ATOM 0 HG LEU A 494 10.081 3.461 0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 494 7.644 3.761 0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 494 8.533 5.197 -0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 494 7.823 4.071 -1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 494 8.631 1.513 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 494 8.850 1.734 -1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 494 10.241 1.307 -0.478 1.00 0.00 H new