USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=21 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+ -174:sc= -3.1! (180deg=-3.35!) USER MOD Set 1.2: A 493 MET CE :methyl -128:sc= 0 (180deg=-0.161) USER MOD Set 2.1: A 483 THR OG1 : rot 180:sc= 0.978 USER MOD Set 2.2: A 486 THR OG1 : rot -77:sc= 1.83 USER MOD Set 3.1: A 460 CYS SG : rot 46:sc= 0.792 USER MOD Set 3.2: A 469 CYS SG : rot 118:sc= 0.62 USER MOD Set 3.3: A 471 ASN : amide:sc= -0.919 K(o=0.62,f=3.6) USER MOD Set 3.4: A 475 CYS SG : rot 140:sc= 0.124 USER MOD Set 4.1: A 437 CYS SG : rot 126:sc= 0.131 USER MOD Set 4.2: A 445 CYS SG : rot -95:sc= 1.19 USER MOD Set 4.3: A 451 CYS SG : rot -179:sc= 1.25 USER MOD Set 4.4: A 455 HIS : no HE2:sc= -3.12! K(o=-0.55!,f=-3.6) USER MOD Single : A 433 LYS NZ :NH3+ 180:sc= 0 (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 180:sc= 0 USER MOD Single : A 450 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 453 TYR OH : rot 180:sc= 0 USER MOD Single : A 454 MET CE :methyl -175:sc= -0.0068 (180deg=-0.0658) USER MOD Single : A 463 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 HIS : no HD1:sc= -3.91! C(o=-3.9!,f=-4.5!) USER MOD Single : A 465 THR OG1 : rot -40:sc= 0.22 USER MOD Single : A 466 THR OG1 : rot 180:sc= 0 USER MOD Single : A 468 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 476 MET CE :methyl 177:sc= 0 (180deg=-0.0134) USER MOD Single : A 478 SER OG : rot 72:sc= 0.656 USER MOD Single : A 479 HIS : no HD1:sc= -0.471 X(o=-0.47,f=-0.5) USER MOD Single : A 492 LYS NZ :NH3+ -152:sc= -0.162 (180deg=-1.21) USER MOD ----------------------------------------------------------------- ATOM 136 N LYS A 433 9.721 -9.764 -11.897 1.00 0.00 N ATOM 137 CA LYS A 433 10.162 -8.438 -11.482 1.00 0.00 C ATOM 138 C LYS A 433 10.407 -8.392 -9.978 1.00 0.00 C ATOM 139 O LYS A 433 11.285 -7.669 -9.504 1.00 0.00 O ATOM 140 CB LYS A 433 9.120 -7.387 -11.872 1.00 0.00 C ATOM 141 CG LYS A 433 9.069 -7.106 -13.364 1.00 0.00 C ATOM 142 CD LYS A 433 10.316 -6.379 -13.838 1.00 0.00 C ATOM 143 CE LYS A 433 10.438 -5.005 -13.196 1.00 0.00 C ATOM 144 NZ LYS A 433 11.372 -4.122 -13.949 1.00 0.00 N ATOM 0 HA LYS A 433 11.100 -8.218 -11.992 1.00 0.00 H new ATOM 0 HB2 LYS A 433 8.137 -7.721 -11.540 1.00 0.00 H new ATOM 0 HB3 LYS A 433 9.337 -6.459 -11.343 1.00 0.00 H new ATOM 0 HG2 LYS A 433 8.965 -8.045 -13.908 1.00 0.00 H new ATOM 0 HG3 LYS A 433 8.188 -6.506 -13.592 1.00 0.00 H new ATOM 0 HD2 LYS A 433 11.198 -6.973 -13.599 1.00 0.00 H new ATOM 0 HD3 LYS A 433 10.287 -6.274 -14.923 1.00 0.00 H new ATOM 0 HE2 LYS A 433 9.455 -4.537 -13.149 1.00 0.00 H new ATOM 0 HE3 LYS A 433 10.789 -5.113 -12.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 11.428 -3.195 -13.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 12.317 -4.556 -13.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 11.024 -3.998 -14.921 1.00 0.00 H new ATOM 158 N ARG A 434 9.627 -9.167 -9.231 1.00 0.00 N ATOM 159 CA ARG A 434 9.761 -9.214 -7.780 1.00 0.00 C ATOM 160 C ARG A 434 9.512 -7.839 -7.166 1.00 0.00 C ATOM 161 O ARG A 434 10.150 -7.465 -6.183 1.00 0.00 O ATOM 162 CB ARG A 434 11.153 -9.714 -7.391 1.00 0.00 C ATOM 163 CG ARG A 434 11.261 -10.147 -5.938 1.00 0.00 C ATOM 164 CD ARG A 434 10.822 -11.591 -5.752 1.00 0.00 C ATOM 165 NE ARG A 434 11.739 -12.528 -6.396 1.00 0.00 N ATOM 166 CZ ARG A 434 11.641 -13.848 -6.280 1.00 0.00 C ATOM 167 NH1 ARG A 434 10.673 -14.383 -5.549 1.00 0.00 N ATOM 168 NH2 ARG A 434 12.513 -14.635 -6.896 1.00 0.00 N ATOM 0 H ARG A 434 8.896 -9.771 -9.607 1.00 0.00 H new ATOM 0 HA ARG A 434 9.013 -9.906 -7.393 1.00 0.00 H new ATOM 0 HB2 ARG A 434 11.420 -10.554 -8.032 1.00 0.00 H new ATOM 0 HB3 ARG A 434 11.880 -8.924 -7.581 1.00 0.00 H new ATOM 0 HG2 ARG A 434 12.290 -10.032 -5.599 1.00 0.00 H new ATOM 0 HG3 ARG A 434 10.646 -9.496 -5.317 1.00 0.00 H new ATOM 0 HD2 ARG A 434 10.761 -11.817 -4.687 1.00 0.00 H new ATOM 0 HD3 ARG A 434 9.821 -11.722 -6.164 1.00 0.00 H new ATOM 0 HE ARG A 434 12.495 -12.149 -6.965 1.00 0.00 H new ATOM 0 HH11 ARG A 434 10.001 -13.781 -5.074 1.00 0.00 H new ATOM 0 HH12 ARG A 434 10.600 -15.397 -5.462 1.00 0.00 H new ATOM 0 HH21 ARG A 434 13.259 -14.227 -7.459 1.00 0.00 H new ATOM 0 HH22 ARG A 434 12.437 -15.648 -6.807 1.00 0.00 H new ATOM 182 N GLU A 435 8.583 -7.094 -7.755 1.00 0.00 N ATOM 183 CA GLU A 435 8.252 -5.760 -7.266 1.00 0.00 C ATOM 184 C GLU A 435 6.748 -5.619 -7.046 1.00 0.00 C ATOM 185 O GLU A 435 5.977 -6.534 -7.340 1.00 0.00 O ATOM 186 CB GLU A 435 8.736 -4.696 -8.253 1.00 0.00 C ATOM 187 CG GLU A 435 10.240 -4.480 -8.226 1.00 0.00 C ATOM 188 CD GLU A 435 10.684 -3.354 -9.138 1.00 0.00 C ATOM 189 OE1 GLU A 435 9.841 -2.500 -9.482 1.00 0.00 O ATOM 190 OE2 GLU A 435 11.876 -3.327 -9.509 1.00 0.00 O ATOM 0 H GLU A 435 8.046 -7.390 -8.570 1.00 0.00 H new ATOM 0 HA GLU A 435 8.757 -5.615 -6.311 1.00 0.00 H new ATOM 0 HB2 GLU A 435 8.437 -4.984 -9.261 1.00 0.00 H new ATOM 0 HB3 GLU A 435 8.238 -3.752 -8.030 1.00 0.00 H new ATOM 0 HG2 GLU A 435 10.553 -4.261 -7.205 1.00 0.00 H new ATOM 0 HG3 GLU A 435 10.741 -5.402 -8.522 1.00 0.00 H new ATOM 197 N LEU A 436 6.338 -4.467 -6.528 1.00 0.00 N ATOM 198 CA LEU A 436 4.927 -4.204 -6.268 1.00 0.00 C ATOM 199 C LEU A 436 4.179 -3.910 -7.564 1.00 0.00 C ATOM 200 O LEU A 436 4.523 -2.979 -8.294 1.00 0.00 O ATOM 201 CB LEU A 436 4.776 -3.029 -5.301 1.00 0.00 C ATOM 202 CG LEU A 436 3.345 -2.668 -4.900 1.00 0.00 C ATOM 203 CD1 LEU A 436 2.765 -3.730 -3.980 1.00 0.00 C ATOM 204 CD2 LEU A 436 3.307 -1.301 -4.232 1.00 0.00 C ATOM 0 H LEU A 436 6.963 -3.700 -6.280 1.00 0.00 H new ATOM 0 HA LEU A 436 4.495 -5.097 -5.816 1.00 0.00 H new ATOM 0 HB2 LEU A 436 5.339 -3.255 -4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 436 5.238 -2.151 -5.753 1.00 0.00 H new ATOM 0 HG LEU A 436 2.735 -2.626 -5.802 1.00 0.00 H new ATOM 0 HD11 LEU A 436 1.746 -3.456 -3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 436 2.756 -4.691 -4.494 1.00 0.00 H new ATOM 0 HD13 LEU A 436 3.376 -3.805 -3.080 1.00 0.00 H new ATOM 0 HD21 LEU A 436 2.281 -1.061 -3.953 1.00 0.00 H new ATOM 0 HD22 LEU A 436 3.932 -1.315 -3.339 1.00 0.00 H new ATOM 0 HD23 LEU A 436 3.681 -0.547 -4.925 1.00 0.00 H new ATOM 216 N CYS A 437 3.154 -4.707 -7.845 1.00 0.00 N ATOM 217 CA CYS A 437 2.356 -4.532 -9.052 1.00 0.00 C ATOM 218 C CYS A 437 1.709 -3.150 -9.081 1.00 0.00 C ATOM 219 O CYS A 437 1.104 -2.715 -8.101 1.00 0.00 O ATOM 220 CB CYS A 437 1.278 -5.614 -9.137 1.00 0.00 C ATOM 221 SG CYS A 437 0.513 -5.774 -10.783 1.00 0.00 S ATOM 0 H CYS A 437 2.856 -5.482 -7.252 1.00 0.00 H new ATOM 0 HA CYS A 437 3.019 -4.621 -9.912 1.00 0.00 H new ATOM 0 HB2 CYS A 437 1.717 -6.572 -8.857 1.00 0.00 H new ATOM 0 HB3 CYS A 437 0.500 -5.395 -8.406 1.00 0.00 H new ATOM 0 HG CYS A 437 0.606 -7.006 -11.187 1.00 0.00 H new ATOM 226 N LYS A 438 1.842 -2.464 -10.211 1.00 0.00 N ATOM 227 CA LYS A 438 1.270 -1.133 -10.370 1.00 0.00 C ATOM 228 C LYS A 438 -0.248 -1.205 -10.507 1.00 0.00 C ATOM 229 O LYS A 438 -0.914 -0.186 -10.689 1.00 0.00 O ATOM 230 CB LYS A 438 1.871 -0.440 -11.595 1.00 0.00 C ATOM 231 CG LYS A 438 3.368 -0.207 -11.489 1.00 0.00 C ATOM 232 CD LYS A 438 4.156 -1.380 -12.047 1.00 0.00 C ATOM 233 CE LYS A 438 5.495 -0.934 -12.613 1.00 0.00 C ATOM 234 NZ LYS A 438 6.571 -0.968 -11.584 1.00 0.00 N ATOM 0 H LYS A 438 2.342 -2.809 -11.031 1.00 0.00 H new ATOM 0 HA LYS A 438 1.509 -0.554 -9.478 1.00 0.00 H new ATOM 0 HB2 LYS A 438 1.668 -1.044 -12.480 1.00 0.00 H new ATOM 0 HB3 LYS A 438 1.372 0.518 -11.741 1.00 0.00 H new ATOM 0 HG2 LYS A 438 3.635 0.701 -12.029 1.00 0.00 H new ATOM 0 HG3 LYS A 438 3.639 -0.049 -10.445 1.00 0.00 H new ATOM 0 HD2 LYS A 438 4.320 -2.117 -11.260 1.00 0.00 H new ATOM 0 HD3 LYS A 438 3.575 -1.871 -12.828 1.00 0.00 H new ATOM 0 HE2 LYS A 438 5.770 -1.579 -13.447 1.00 0.00 H new ATOM 0 HE3 LYS A 438 5.403 0.077 -13.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 438 7.468 -0.657 -12.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 438 6.321 -0.333 -10.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 438 6.676 -1.938 -11.224 1.00 0.00 H new ATOM 248 N PHE A 439 -0.788 -2.416 -10.419 1.00 0.00 N ATOM 249 CA PHE A 439 -2.228 -2.621 -10.533 1.00 0.00 C ATOM 250 C PHE A 439 -2.792 -3.235 -9.255 1.00 0.00 C ATOM 251 O PHE A 439 -3.871 -2.858 -8.796 1.00 0.00 O ATOM 252 CB PHE A 439 -2.543 -3.522 -11.728 1.00 0.00 C ATOM 253 CG PHE A 439 -2.376 -2.839 -13.055 1.00 0.00 C ATOM 254 CD1 PHE A 439 -3.425 -2.137 -13.625 1.00 0.00 C ATOM 255 CD2 PHE A 439 -1.169 -2.899 -13.733 1.00 0.00 C ATOM 256 CE1 PHE A 439 -3.275 -1.506 -14.845 1.00 0.00 C ATOM 257 CE2 PHE A 439 -1.013 -2.271 -14.954 1.00 0.00 C ATOM 258 CZ PHE A 439 -2.067 -1.574 -15.512 1.00 0.00 C ATOM 0 H PHE A 439 -0.251 -3.270 -10.269 1.00 0.00 H new ATOM 0 HA PHE A 439 -2.698 -1.649 -10.686 1.00 0.00 H new ATOM 0 HB2 PHE A 439 -1.893 -4.397 -11.694 1.00 0.00 H new ATOM 0 HB3 PHE A 439 -3.568 -3.883 -11.641 1.00 0.00 H new ATOM 0 HD1 PHE A 439 -4.372 -2.082 -13.109 1.00 0.00 H new ATOM 0 HD2 PHE A 439 -0.341 -3.443 -13.302 1.00 0.00 H new ATOM 0 HE1 PHE A 439 -4.101 -0.960 -15.277 1.00 0.00 H new ATOM 0 HE2 PHE A 439 -0.067 -2.325 -15.472 1.00 0.00 H new ATOM 0 HZ PHE A 439 -1.947 -1.084 -16.467 1.00 0.00 H new ATOM 268 N TYR A 440 -2.056 -4.183 -8.686 1.00 0.00 N ATOM 269 CA TYR A 440 -2.484 -4.852 -7.463 1.00 0.00 C ATOM 270 C TYR A 440 -2.785 -3.838 -6.364 1.00 0.00 C ATOM 271 O TYR A 440 -3.610 -4.086 -5.484 1.00 0.00 O ATOM 272 CB TYR A 440 -1.408 -5.830 -6.989 1.00 0.00 C ATOM 273 CG TYR A 440 -1.856 -6.719 -5.851 1.00 0.00 C ATOM 274 CD1 TYR A 440 -2.951 -7.563 -5.993 1.00 0.00 C ATOM 275 CD2 TYR A 440 -1.186 -6.714 -4.634 1.00 0.00 C ATOM 276 CE1 TYR A 440 -3.365 -8.376 -4.956 1.00 0.00 C ATOM 277 CE2 TYR A 440 -1.592 -7.525 -3.592 1.00 0.00 C ATOM 278 CZ TYR A 440 -2.682 -8.354 -3.758 1.00 0.00 C ATOM 279 OH TYR A 440 -3.090 -9.162 -2.721 1.00 0.00 O ATOM 0 H TYR A 440 -1.160 -4.506 -9.052 1.00 0.00 H new ATOM 0 HA TYR A 440 -3.397 -5.405 -7.682 1.00 0.00 H new ATOM 0 HB2 TYR A 440 -1.102 -6.455 -7.828 1.00 0.00 H new ATOM 0 HB3 TYR A 440 -0.530 -5.266 -6.674 1.00 0.00 H new ATOM 0 HD1 TYR A 440 -3.487 -7.584 -6.930 1.00 0.00 H new ATOM 0 HD2 TYR A 440 -0.333 -6.065 -4.500 1.00 0.00 H new ATOM 0 HE1 TYR A 440 -4.219 -9.025 -5.083 1.00 0.00 H new ATOM 0 HE2 TYR A 440 -1.059 -7.510 -2.653 1.00 0.00 H new ATOM 0 HH TYR A 440 -2.501 -9.026 -1.949 1.00 0.00 H new ATOM 289 N ILE A 441 -2.111 -2.694 -6.422 1.00 0.00 N ATOM 290 CA ILE A 441 -2.306 -1.641 -5.434 1.00 0.00 C ATOM 291 C ILE A 441 -3.789 -1.404 -5.169 1.00 0.00 C ATOM 292 O ILE A 441 -4.186 -1.056 -4.056 1.00 0.00 O ATOM 293 CB ILE A 441 -1.659 -0.319 -5.884 1.00 0.00 C ATOM 294 CG1 ILE A 441 -0.160 -0.514 -6.120 1.00 0.00 C ATOM 295 CG2 ILE A 441 -1.901 0.769 -4.848 1.00 0.00 C ATOM 296 CD1 ILE A 441 0.504 0.667 -6.793 1.00 0.00 C ATOM 0 H ILE A 441 -1.425 -2.473 -7.144 1.00 0.00 H new ATOM 0 HA ILE A 441 -1.824 -1.977 -4.516 1.00 0.00 H new ATOM 0 HB ILE A 441 -2.118 -0.008 -6.823 1.00 0.00 H new ATOM 0 HG12 ILE A 441 0.329 -0.699 -5.164 1.00 0.00 H new ATOM 0 HG13 ILE A 441 -0.009 -1.403 -6.733 1.00 0.00 H new ATOM 0 HG21 ILE A 441 -1.437 1.698 -5.181 1.00 0.00 H new ATOM 0 HG22 ILE A 441 -2.973 0.922 -4.725 1.00 0.00 H new ATOM 0 HG23 ILE A 441 -1.466 0.467 -3.895 1.00 0.00 H new ATOM 0 HD11 ILE A 441 1.565 0.459 -6.929 1.00 0.00 H new ATOM 0 HD12 ILE A 441 0.041 0.840 -7.765 1.00 0.00 H new ATOM 0 HD13 ILE A 441 0.385 1.554 -6.171 1.00 0.00 H new ATOM 308 N THR A 442 -4.607 -1.597 -6.200 1.00 0.00 N ATOM 309 CA THR A 442 -6.047 -1.405 -6.080 1.00 0.00 C ATOM 310 C THR A 442 -6.771 -2.741 -5.960 1.00 0.00 C ATOM 311 O THR A 442 -7.827 -2.832 -5.336 1.00 0.00 O ATOM 312 CB THR A 442 -6.613 -0.633 -7.286 1.00 0.00 C ATOM 313 OG1 THR A 442 -6.116 -1.197 -8.506 1.00 0.00 O ATOM 314 CG2 THR A 442 -6.237 0.839 -7.212 1.00 0.00 C ATOM 0 H THR A 442 -4.296 -1.886 -7.127 1.00 0.00 H new ATOM 0 HA THR A 442 -6.214 -0.822 -5.174 1.00 0.00 H new ATOM 0 HB THR A 442 -7.700 -0.715 -7.264 1.00 0.00 H new ATOM 0 HG1 THR A 442 -6.482 -0.701 -9.268 1.00 0.00 H new ATOM 0 HG21 THR A 442 -6.648 1.363 -8.075 1.00 0.00 H new ATOM 0 HG22 THR A 442 -6.642 1.272 -6.297 1.00 0.00 H new ATOM 0 HG23 THR A 442 -5.151 0.938 -7.211 1.00 0.00 H new ATOM 322 N GLY A 443 -6.195 -3.778 -6.562 1.00 0.00 N ATOM 323 CA GLY A 443 -6.801 -5.096 -6.510 1.00 0.00 C ATOM 324 C GLY A 443 -7.220 -5.596 -7.878 1.00 0.00 C ATOM 325 O GLY A 443 -7.575 -6.764 -8.038 1.00 0.00 O ATOM 0 H GLY A 443 -5.320 -3.729 -7.084 1.00 0.00 H new ATOM 0 HA2 GLY A 443 -6.095 -5.800 -6.070 1.00 0.00 H new ATOM 0 HA3 GLY A 443 -7.672 -5.067 -5.855 1.00 0.00 H new ATOM 329 N PHE A 444 -7.180 -4.710 -8.868 1.00 0.00 N ATOM 330 CA PHE A 444 -7.561 -5.067 -10.229 1.00 0.00 C ATOM 331 C PHE A 444 -6.327 -5.337 -11.086 1.00 0.00 C ATOM 332 O PHE A 444 -5.700 -4.410 -11.600 1.00 0.00 O ATOM 333 CB PHE A 444 -8.398 -3.951 -10.857 1.00 0.00 C ATOM 334 CG PHE A 444 -9.016 -4.331 -12.171 1.00 0.00 C ATOM 335 CD1 PHE A 444 -8.235 -4.459 -13.308 1.00 0.00 C ATOM 336 CD2 PHE A 444 -10.379 -4.562 -12.270 1.00 0.00 C ATOM 337 CE1 PHE A 444 -8.801 -4.809 -14.520 1.00 0.00 C ATOM 338 CE2 PHE A 444 -10.951 -4.913 -13.479 1.00 0.00 C ATOM 339 CZ PHE A 444 -10.161 -5.037 -14.604 1.00 0.00 C ATOM 0 H PHE A 444 -6.888 -3.740 -8.753 1.00 0.00 H new ATOM 0 HA PHE A 444 -8.158 -5.978 -10.185 1.00 0.00 H new ATOM 0 HB2 PHE A 444 -9.188 -3.666 -10.162 1.00 0.00 H new ATOM 0 HB3 PHE A 444 -7.768 -3.073 -11.001 1.00 0.00 H new ATOM 0 HD1 PHE A 444 -7.171 -4.283 -13.247 1.00 0.00 H new ATOM 0 HD2 PHE A 444 -11.002 -4.467 -11.393 1.00 0.00 H new ATOM 0 HE1 PHE A 444 -8.181 -4.904 -15.399 1.00 0.00 H new ATOM 0 HE2 PHE A 444 -12.014 -5.090 -13.543 1.00 0.00 H new ATOM 0 HZ PHE A 444 -10.606 -5.312 -15.549 1.00 0.00 H new ATOM 349 N CYS A 445 -5.985 -6.612 -11.236 1.00 0.00 N ATOM 350 CA CYS A 445 -4.827 -7.006 -12.029 1.00 0.00 C ATOM 351 C CYS A 445 -5.188 -8.126 -13.000 1.00 0.00 C ATOM 352 O CYS A 445 -5.401 -9.268 -12.594 1.00 0.00 O ATOM 353 CB CYS A 445 -3.686 -7.456 -11.115 1.00 0.00 C ATOM 354 SG CYS A 445 -2.314 -8.277 -11.988 1.00 0.00 S ATOM 0 H CYS A 445 -6.494 -7.391 -10.818 1.00 0.00 H new ATOM 0 HA CYS A 445 -4.501 -6.140 -12.606 1.00 0.00 H new ATOM 0 HB2 CYS A 445 -3.297 -6.588 -10.583 1.00 0.00 H new ATOM 0 HB3 CYS A 445 -4.084 -8.138 -10.363 1.00 0.00 H new ATOM 0 HG CYS A 445 -2.487 -9.565 -11.955 1.00 0.00 H new ATOM 359 N ALA A 446 -5.256 -7.790 -14.284 1.00 0.00 N ATOM 360 CA ALA A 446 -5.589 -8.767 -15.313 1.00 0.00 C ATOM 361 C ALA A 446 -4.922 -10.109 -15.032 1.00 0.00 C ATOM 362 O ALA A 446 -5.596 -11.102 -14.756 1.00 0.00 O ATOM 363 CB ALA A 446 -5.180 -8.250 -16.684 1.00 0.00 C ATOM 0 H ALA A 446 -5.085 -6.848 -14.636 1.00 0.00 H new ATOM 0 HA ALA A 446 -6.669 -8.917 -15.300 1.00 0.00 H new ATOM 0 HB1 ALA A 446 -5.435 -8.990 -17.443 1.00 0.00 H new ATOM 0 HB2 ALA A 446 -5.707 -7.319 -16.894 1.00 0.00 H new ATOM 0 HB3 ALA A 446 -4.105 -8.070 -16.699 1.00 0.00 H new ATOM 369 N ARG A 447 -3.595 -10.133 -15.103 1.00 0.00 N ATOM 370 CA ARG A 447 -2.838 -11.354 -14.858 1.00 0.00 C ATOM 371 C ARG A 447 -2.872 -11.727 -13.378 1.00 0.00 C ATOM 372 O ARG A 447 -2.197 -11.108 -12.557 1.00 0.00 O ATOM 373 CB ARG A 447 -1.389 -11.183 -15.318 1.00 0.00 C ATOM 374 CG ARG A 447 -1.152 -11.617 -16.755 1.00 0.00 C ATOM 375 CD ARG A 447 0.275 -11.329 -17.196 1.00 0.00 C ATOM 376 NE ARG A 447 0.400 -10.016 -17.822 1.00 0.00 N ATOM 377 CZ ARG A 447 -0.093 -9.724 -19.021 1.00 0.00 C ATOM 378 NH1 ARG A 447 -0.740 -10.647 -19.718 1.00 0.00 N ATOM 379 NH2 ARG A 447 0.062 -8.506 -19.524 1.00 0.00 N ATOM 0 H ARG A 447 -3.022 -9.320 -15.328 1.00 0.00 H new ATOM 0 HA ARG A 447 -3.301 -12.159 -15.429 1.00 0.00 H new ATOM 0 HB2 ARG A 447 -1.104 -10.136 -15.212 1.00 0.00 H new ATOM 0 HB3 ARG A 447 -0.738 -11.759 -14.661 1.00 0.00 H new ATOM 0 HG2 ARG A 447 -1.356 -12.683 -16.852 1.00 0.00 H new ATOM 0 HG3 ARG A 447 -1.849 -11.098 -17.413 1.00 0.00 H new ATOM 0 HD2 ARG A 447 0.939 -11.384 -16.333 1.00 0.00 H new ATOM 0 HD3 ARG A 447 0.600 -12.097 -17.898 1.00 0.00 H new ATOM 0 HE ARG A 447 0.892 -9.283 -17.311 1.00 0.00 H new ATOM 0 HH11 ARG A 447 -0.861 -11.584 -19.334 1.00 0.00 H new ATOM 0 HH12 ARG A 447 -1.117 -10.420 -20.638 1.00 0.00 H new ATOM 0 HH21 ARG A 447 0.560 -7.793 -18.990 1.00 0.00 H new ATOM 0 HH22 ARG A 447 -0.317 -8.282 -20.444 1.00 0.00 H new ATOM 393 N ALA A 448 -3.663 -12.742 -13.047 1.00 0.00 N ATOM 394 CA ALA A 448 -3.784 -13.198 -11.668 1.00 0.00 C ATOM 395 C ALA A 448 -2.636 -14.130 -11.296 1.00 0.00 C ATOM 396 O ALA A 448 -1.696 -13.729 -10.611 1.00 0.00 O ATOM 397 CB ALA A 448 -5.121 -13.893 -11.457 1.00 0.00 C ATOM 0 H ALA A 448 -4.230 -13.264 -13.715 1.00 0.00 H new ATOM 0 HA ALA A 448 -3.735 -12.325 -11.017 1.00 0.00 H new ATOM 0 HB1 ALA A 448 -5.198 -14.228 -10.423 1.00 0.00 H new ATOM 0 HB2 ALA A 448 -5.931 -13.197 -11.674 1.00 0.00 H new ATOM 0 HB3 ALA A 448 -5.193 -14.753 -12.123 1.00 0.00 H new ATOM 403 N GLU A 449 -2.721 -15.377 -11.750 1.00 0.00 N ATOM 404 CA GLU A 449 -1.689 -16.366 -11.462 1.00 0.00 C ATOM 405 C GLU A 449 -0.509 -16.215 -12.418 1.00 0.00 C ATOM 406 O GLU A 449 0.489 -16.925 -12.305 1.00 0.00 O ATOM 407 CB GLU A 449 -2.265 -17.780 -11.564 1.00 0.00 C ATOM 408 CG GLU A 449 -1.250 -18.873 -11.272 1.00 0.00 C ATOM 409 CD GLU A 449 -1.882 -20.248 -11.183 1.00 0.00 C ATOM 410 OE1 GLU A 449 -2.457 -20.704 -12.194 1.00 0.00 O ATOM 411 OE2 GLU A 449 -1.802 -20.868 -10.102 1.00 0.00 O ATOM 0 H GLU A 449 -3.493 -15.726 -12.318 1.00 0.00 H new ATOM 0 HA GLU A 449 -1.334 -16.198 -10.445 1.00 0.00 H new ATOM 0 HB2 GLU A 449 -3.099 -17.875 -10.868 1.00 0.00 H new ATOM 0 HB3 GLU A 449 -2.668 -17.928 -12.566 1.00 0.00 H new ATOM 0 HG2 GLU A 449 -0.490 -18.876 -12.054 1.00 0.00 H new ATOM 0 HG3 GLU A 449 -0.741 -18.650 -10.334 1.00 0.00 H new ATOM 418 N ASN A 450 -0.632 -15.284 -13.359 1.00 0.00 N ATOM 419 CA ASN A 450 0.423 -15.040 -14.335 1.00 0.00 C ATOM 420 C ASN A 450 1.029 -13.653 -14.145 1.00 0.00 C ATOM 421 O ASN A 450 1.584 -13.072 -15.079 1.00 0.00 O ATOM 422 CB ASN A 450 -0.126 -15.178 -15.756 1.00 0.00 C ATOM 423 CG ASN A 450 -0.485 -16.611 -16.101 1.00 0.00 C ATOM 424 OD1 ASN A 450 -1.578 -17.082 -15.784 1.00 0.00 O ATOM 425 ND2 ASN A 450 0.436 -17.311 -16.752 1.00 0.00 N ATOM 0 H ASN A 450 -1.452 -14.687 -13.466 1.00 0.00 H new ATOM 0 HA ASN A 450 1.205 -15.784 -14.181 1.00 0.00 H new ATOM 0 HB2 ASN A 450 -1.010 -14.549 -15.864 1.00 0.00 H new ATOM 0 HB3 ASN A 450 0.615 -14.811 -16.466 1.00 0.00 H new ATOM 0 HD21 ASN A 450 0.252 -18.280 -17.010 1.00 0.00 H new ATOM 0 HD22 ASN A 450 1.328 -16.879 -16.994 1.00 0.00 H new ATOM 432 N CYS A 451 0.921 -13.127 -12.929 1.00 0.00 N ATOM 433 CA CYS A 451 1.458 -11.809 -12.615 1.00 0.00 C ATOM 434 C CYS A 451 2.962 -11.880 -12.365 1.00 0.00 C ATOM 435 O CYS A 451 3.428 -12.493 -11.405 1.00 0.00 O ATOM 436 CB CYS A 451 0.752 -11.227 -11.388 1.00 0.00 C ATOM 437 SG CYS A 451 1.327 -9.563 -10.921 1.00 0.00 S ATOM 0 H CYS A 451 0.466 -13.594 -12.145 1.00 0.00 H new ATOM 0 HA CYS A 451 1.280 -11.158 -13.471 1.00 0.00 H new ATOM 0 HB2 CYS A 451 -0.320 -11.188 -11.583 1.00 0.00 H new ATOM 0 HB3 CYS A 451 0.898 -11.901 -10.544 1.00 0.00 H new ATOM 0 HG CYS A 451 0.680 -9.160 -9.868 1.00 0.00 H new ATOM 442 N PRO A 452 3.739 -11.237 -13.248 1.00 0.00 N ATOM 443 CA PRO A 452 5.201 -11.211 -13.144 1.00 0.00 C ATOM 444 C PRO A 452 5.684 -10.375 -11.964 1.00 0.00 C ATOM 445 O PRO A 452 6.886 -10.209 -11.759 1.00 0.00 O ATOM 446 CB PRO A 452 5.639 -10.573 -14.465 1.00 0.00 C ATOM 447 CG PRO A 452 4.474 -9.751 -14.894 1.00 0.00 C ATOM 448 CD PRO A 452 3.251 -10.485 -14.417 1.00 0.00 C ATOM 0 HA PRO A 452 5.615 -12.205 -12.976 1.00 0.00 H new ATOM 0 HB2 PRO A 452 6.529 -9.958 -14.332 1.00 0.00 H new ATOM 0 HB3 PRO A 452 5.884 -11.331 -15.209 1.00 0.00 H new ATOM 0 HG2 PRO A 452 4.522 -8.751 -14.463 1.00 0.00 H new ATOM 0 HG3 PRO A 452 4.459 -9.631 -15.977 1.00 0.00 H new ATOM 0 HD2 PRO A 452 2.450 -9.797 -14.147 1.00 0.00 H new ATOM 0 HD3 PRO A 452 2.856 -11.149 -15.186 1.00 0.00 H new ATOM 456 N TYR A 453 4.739 -9.853 -11.190 1.00 0.00 N ATOM 457 CA TYR A 453 5.069 -9.033 -10.030 1.00 0.00 C ATOM 458 C TYR A 453 4.617 -9.708 -8.739 1.00 0.00 C ATOM 459 O TYR A 453 4.147 -10.846 -8.752 1.00 0.00 O ATOM 460 CB TYR A 453 4.417 -7.654 -10.152 1.00 0.00 C ATOM 461 CG TYR A 453 5.027 -6.790 -11.232 1.00 0.00 C ATOM 462 CD1 TYR A 453 4.654 -6.940 -12.562 1.00 0.00 C ATOM 463 CD2 TYR A 453 5.977 -5.824 -10.923 1.00 0.00 C ATOM 464 CE1 TYR A 453 5.209 -6.153 -13.553 1.00 0.00 C ATOM 465 CE2 TYR A 453 6.537 -5.032 -11.907 1.00 0.00 C ATOM 466 CZ TYR A 453 6.149 -5.200 -13.220 1.00 0.00 C ATOM 467 OH TYR A 453 6.705 -4.414 -14.203 1.00 0.00 O ATOM 0 H TYR A 453 3.739 -9.983 -11.345 1.00 0.00 H new ATOM 0 HA TYR A 453 6.152 -8.915 -9.997 1.00 0.00 H new ATOM 0 HB2 TYR A 453 3.354 -7.781 -10.357 1.00 0.00 H new ATOM 0 HB3 TYR A 453 4.498 -7.137 -9.196 1.00 0.00 H new ATOM 0 HD1 TYR A 453 3.918 -7.685 -12.826 1.00 0.00 H new ATOM 0 HD2 TYR A 453 6.283 -5.690 -9.896 1.00 0.00 H new ATOM 0 HE1 TYR A 453 4.909 -6.283 -14.582 1.00 0.00 H new ATOM 0 HE2 TYR A 453 7.274 -4.286 -11.650 1.00 0.00 H new ATOM 0 HH TYR A 453 7.348 -3.793 -13.801 1.00 0.00 H new ATOM 477 N MET A 454 4.762 -8.998 -7.625 1.00 0.00 N ATOM 478 CA MET A 454 4.367 -9.528 -6.325 1.00 0.00 C ATOM 479 C MET A 454 3.006 -8.980 -5.905 1.00 0.00 C ATOM 480 O MET A 454 2.633 -7.866 -6.274 1.00 0.00 O ATOM 481 CB MET A 454 5.417 -9.180 -5.268 1.00 0.00 C ATOM 482 CG MET A 454 6.745 -9.890 -5.474 1.00 0.00 C ATOM 483 SD MET A 454 6.731 -11.583 -4.853 1.00 0.00 S ATOM 484 CE MET A 454 7.545 -11.370 -3.272 1.00 0.00 C ATOM 0 H MET A 454 5.150 -8.055 -7.596 1.00 0.00 H new ATOM 0 HA MET A 454 4.292 -10.612 -6.410 1.00 0.00 H new ATOM 0 HB2 MET A 454 5.585 -8.103 -5.275 1.00 0.00 H new ATOM 0 HB3 MET A 454 5.027 -9.435 -4.283 1.00 0.00 H new ATOM 0 HG2 MET A 454 6.987 -9.899 -6.537 1.00 0.00 H new ATOM 0 HG3 MET A 454 7.534 -9.330 -4.972 1.00 0.00 H new ATOM 0 HE1 MET A 454 7.692 -12.344 -2.804 1.00 0.00 H new ATOM 0 HE2 MET A 454 8.512 -10.890 -3.422 1.00 0.00 H new ATOM 0 HE3 MET A 454 6.927 -10.747 -2.626 1.00 0.00 H new ATOM 494 N HIS A 455 2.268 -9.771 -5.132 1.00 0.00 N ATOM 495 CA HIS A 455 0.948 -9.365 -4.662 1.00 0.00 C ATOM 496 C HIS A 455 0.858 -9.464 -3.143 1.00 0.00 C ATOM 497 O HIS A 455 0.928 -8.457 -2.439 1.00 0.00 O ATOM 498 CB HIS A 455 -0.134 -10.231 -5.307 1.00 0.00 C ATOM 499 CG HIS A 455 -0.500 -9.799 -6.693 1.00 0.00 C ATOM 500 ND1 HIS A 455 -1.329 -10.533 -7.516 1.00 0.00 N ATOM 501 CD2 HIS A 455 -0.146 -8.701 -7.401 1.00 0.00 C ATOM 502 CE1 HIS A 455 -1.467 -9.905 -8.670 1.00 0.00 C ATOM 503 NE2 HIS A 455 -0.760 -8.790 -8.626 1.00 0.00 N ATOM 0 H HIS A 455 2.561 -10.696 -4.818 1.00 0.00 H new ATOM 0 HA HIS A 455 0.790 -8.326 -4.950 1.00 0.00 H new ATOM 0 HB2 HIS A 455 0.210 -11.265 -5.337 1.00 0.00 H new ATOM 0 HB3 HIS A 455 -1.026 -10.209 -4.681 1.00 0.00 H new ATOM 0 HD1 HIS A 455 -1.767 -11.421 -7.272 1.00 0.00 H new ATOM 0 HD2 HIS A 455 0.500 -7.903 -7.065 1.00 0.00 H new ATOM 0 HE1 HIS A 455 -2.058 -10.245 -9.508 1.00 0.00 H new ATOM 511 N GLY A 456 0.702 -10.686 -2.642 1.00 0.00 N ATOM 512 CA GLY A 456 0.604 -10.894 -1.209 1.00 0.00 C ATOM 513 C GLY A 456 1.960 -10.910 -0.532 1.00 0.00 C ATOM 514 O GLY A 456 2.233 -10.089 0.345 1.00 0.00 O ATOM 0 H GLY A 456 0.642 -11.536 -3.203 1.00 0.00 H new ATOM 0 HA2 GLY A 456 -0.008 -10.105 -0.771 1.00 0.00 H new ATOM 0 HA3 GLY A 456 0.094 -11.838 -1.016 1.00 0.00 H new ATOM 518 N ASP A 457 2.811 -11.846 -0.936 1.00 0.00 N ATOM 519 CA ASP A 457 4.146 -11.966 -0.362 1.00 0.00 C ATOM 520 C ASP A 457 4.757 -10.590 -0.115 1.00 0.00 C ATOM 521 O ASP A 457 5.358 -10.345 0.931 1.00 0.00 O ATOM 522 CB ASP A 457 5.051 -12.781 -1.287 1.00 0.00 C ATOM 523 CG ASP A 457 4.886 -14.275 -1.089 1.00 0.00 C ATOM 524 OD1 ASP A 457 3.743 -14.719 -0.849 1.00 0.00 O ATOM 525 OD2 ASP A 457 5.899 -15.000 -1.172 1.00 0.00 O ATOM 0 H ASP A 457 2.600 -12.533 -1.659 1.00 0.00 H new ATOM 0 HA ASP A 457 4.058 -12.482 0.594 1.00 0.00 H new ATOM 0 HB2 ASP A 457 4.828 -12.528 -2.324 1.00 0.00 H new ATOM 0 HB3 ASP A 457 6.091 -12.506 -1.108 1.00 0.00 H new ATOM 530 N PHE A 458 4.599 -9.696 -1.085 1.00 0.00 N ATOM 531 CA PHE A 458 5.137 -8.345 -0.974 1.00 0.00 C ATOM 532 C PHE A 458 4.812 -7.740 0.388 1.00 0.00 C ATOM 533 O PHE A 458 3.661 -7.716 0.827 1.00 0.00 O ATOM 534 CB PHE A 458 4.576 -7.456 -2.086 1.00 0.00 C ATOM 535 CG PHE A 458 5.403 -6.231 -2.350 1.00 0.00 C ATOM 536 CD1 PHE A 458 6.563 -6.310 -3.103 1.00 0.00 C ATOM 537 CD2 PHE A 458 5.020 -4.999 -1.845 1.00 0.00 C ATOM 538 CE1 PHE A 458 7.326 -5.184 -3.346 1.00 0.00 C ATOM 539 CE2 PHE A 458 5.779 -3.869 -2.085 1.00 0.00 C ATOM 540 CZ PHE A 458 6.933 -3.962 -2.837 1.00 0.00 C ATOM 0 H PHE A 458 4.103 -9.882 -1.957 1.00 0.00 H new ATOM 0 HA PHE A 458 6.221 -8.404 -1.077 1.00 0.00 H new ATOM 0 HB2 PHE A 458 4.502 -8.039 -3.004 1.00 0.00 H new ATOM 0 HB3 PHE A 458 3.564 -7.151 -1.820 1.00 0.00 H new ATOM 0 HD1 PHE A 458 6.875 -7.263 -3.505 1.00 0.00 H new ATOM 0 HD2 PHE A 458 4.118 -4.921 -1.257 1.00 0.00 H new ATOM 0 HE1 PHE A 458 8.229 -5.260 -3.934 1.00 0.00 H new ATOM 0 HE2 PHE A 458 5.470 -2.915 -1.685 1.00 0.00 H new ATOM 0 HZ PHE A 458 7.527 -3.081 -3.027 1.00 0.00 H new ATOM 550 N PRO A 459 5.849 -7.239 1.076 1.00 0.00 N ATOM 551 CA PRO A 459 5.699 -6.625 2.399 1.00 0.00 C ATOM 552 C PRO A 459 4.968 -5.288 2.338 1.00 0.00 C ATOM 553 O PRO A 459 5.186 -4.491 1.425 1.00 0.00 O ATOM 554 CB PRO A 459 7.144 -6.424 2.862 1.00 0.00 C ATOM 555 CG PRO A 459 7.936 -6.334 1.603 1.00 0.00 C ATOM 556 CD PRO A 459 7.247 -7.234 0.615 1.00 0.00 C ATOM 0 HA PRO A 459 5.104 -7.244 3.071 1.00 0.00 H new ATOM 0 HB2 PRO A 459 7.246 -5.518 3.459 1.00 0.00 H new ATOM 0 HB3 PRO A 459 7.480 -7.255 3.483 1.00 0.00 H new ATOM 0 HG2 PRO A 459 7.972 -5.308 1.237 1.00 0.00 H new ATOM 0 HG3 PRO A 459 8.966 -6.650 1.767 1.00 0.00 H new ATOM 0 HD2 PRO A 459 7.333 -6.854 -0.403 1.00 0.00 H new ATOM 0 HD3 PRO A 459 7.675 -8.237 0.618 1.00 0.00 H new ATOM 564 N CYS A 460 4.101 -5.049 3.315 1.00 0.00 N ATOM 565 CA CYS A 460 3.337 -3.808 3.374 1.00 0.00 C ATOM 566 C CYS A 460 4.265 -2.604 3.509 1.00 0.00 C ATOM 567 O CYS A 460 5.318 -2.686 4.141 1.00 0.00 O ATOM 568 CB CYS A 460 2.355 -3.844 4.546 1.00 0.00 C ATOM 569 SG CYS A 460 0.977 -2.662 4.398 1.00 0.00 S ATOM 0 H CYS A 460 3.909 -5.699 4.078 1.00 0.00 H new ATOM 0 HA CYS A 460 2.777 -3.710 2.444 1.00 0.00 H new ATOM 0 HB2 CYS A 460 1.948 -4.851 4.634 1.00 0.00 H new ATOM 0 HB3 CYS A 460 2.899 -3.638 5.468 1.00 0.00 H new ATOM 0 HG CYS A 460 0.477 -2.727 3.200 1.00 0.00 H new ATOM 574 N LYS A 461 3.865 -1.487 2.912 1.00 0.00 N ATOM 575 CA LYS A 461 4.658 -0.264 2.966 1.00 0.00 C ATOM 576 C LYS A 461 4.449 0.462 4.291 1.00 0.00 C ATOM 577 O LYS A 461 5.356 0.532 5.122 1.00 0.00 O ATOM 578 CB LYS A 461 4.289 0.659 1.802 1.00 0.00 C ATOM 579 CG LYS A 461 5.058 1.969 1.799 1.00 0.00 C ATOM 580 CD LYS A 461 4.576 2.895 0.694 1.00 0.00 C ATOM 581 CE LYS A 461 5.440 4.143 0.597 1.00 0.00 C ATOM 582 NZ LYS A 461 6.611 3.938 -0.300 1.00 0.00 N ATOM 0 H LYS A 461 2.996 -1.403 2.385 1.00 0.00 H new ATOM 0 HA LYS A 461 5.710 -0.538 2.885 1.00 0.00 H new ATOM 0 HB2 LYS A 461 4.473 0.137 0.863 1.00 0.00 H new ATOM 0 HB3 LYS A 461 3.221 0.874 1.844 1.00 0.00 H new ATOM 0 HG2 LYS A 461 4.943 2.462 2.764 1.00 0.00 H new ATOM 0 HG3 LYS A 461 6.121 1.768 1.669 1.00 0.00 H new ATOM 0 HD2 LYS A 461 4.591 2.365 -0.259 1.00 0.00 H new ATOM 0 HD3 LYS A 461 3.541 3.181 0.883 1.00 0.00 H new ATOM 0 HE2 LYS A 461 4.839 4.973 0.226 1.00 0.00 H new ATOM 0 HE3 LYS A 461 5.789 4.422 1.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 7.229 4.774 -0.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 7.143 3.099 0.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 6.280 3.798 -1.276 1.00 0.00 H new ATOM 596 N LEU A 462 3.250 0.999 4.483 1.00 0.00 N ATOM 597 CA LEU A 462 2.921 1.718 5.709 1.00 0.00 C ATOM 598 C LEU A 462 3.411 0.956 6.936 1.00 0.00 C ATOM 599 O LEU A 462 4.178 1.483 7.742 1.00 0.00 O ATOM 600 CB LEU A 462 1.411 1.942 5.803 1.00 0.00 C ATOM 601 CG LEU A 462 0.851 3.101 4.977 1.00 0.00 C ATOM 602 CD1 LEU A 462 -0.669 3.088 5.000 1.00 0.00 C ATOM 603 CD2 LEU A 462 1.383 4.430 5.495 1.00 0.00 C ATOM 0 H LEU A 462 2.489 0.950 3.806 1.00 0.00 H new ATOM 0 HA LEU A 462 3.424 2.684 5.680 1.00 0.00 H new ATOM 0 HB2 LEU A 462 0.908 1.026 5.494 1.00 0.00 H new ATOM 0 HB3 LEU A 462 1.153 2.110 6.849 1.00 0.00 H new ATOM 0 HG LEU A 462 1.179 2.978 3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 462 -1.049 3.920 4.407 1.00 0.00 H new ATOM 0 HD12 LEU A 462 -1.031 2.149 4.582 1.00 0.00 H new ATOM 0 HD13 LEU A 462 -1.018 3.186 6.028 1.00 0.00 H new ATOM 0 HD21 LEU A 462 0.975 5.244 4.896 1.00 0.00 H new ATOM 0 HD22 LEU A 462 1.085 4.560 6.535 1.00 0.00 H new ATOM 0 HD23 LEU A 462 2.471 4.439 5.425 1.00 0.00 H new ATOM 615 N TYR A 463 2.964 -0.288 7.070 1.00 0.00 N ATOM 616 CA TYR A 463 3.357 -1.124 8.199 1.00 0.00 C ATOM 617 C TYR A 463 4.833 -0.930 8.532 1.00 0.00 C ATOM 618 O TYR A 463 5.252 -1.114 9.675 1.00 0.00 O ATOM 619 CB TYR A 463 3.081 -2.596 7.890 1.00 0.00 C ATOM 620 CG TYR A 463 3.190 -3.499 9.099 1.00 0.00 C ATOM 621 CD1 TYR A 463 2.104 -3.698 9.942 1.00 0.00 C ATOM 622 CD2 TYR A 463 4.379 -4.152 9.397 1.00 0.00 C ATOM 623 CE1 TYR A 463 2.199 -4.521 11.047 1.00 0.00 C ATOM 624 CE2 TYR A 463 4.483 -4.978 10.499 1.00 0.00 C ATOM 625 CZ TYR A 463 3.391 -5.159 11.322 1.00 0.00 C ATOM 626 OH TYR A 463 3.490 -5.981 12.421 1.00 0.00 O ATOM 0 H TYR A 463 2.330 -0.740 6.411 1.00 0.00 H new ATOM 0 HA TYR A 463 2.766 -0.824 9.064 1.00 0.00 H new ATOM 0 HB2 TYR A 463 2.081 -2.688 7.467 1.00 0.00 H new ATOM 0 HB3 TYR A 463 3.782 -2.936 7.128 1.00 0.00 H new ATOM 0 HD1 TYR A 463 1.169 -3.201 9.730 1.00 0.00 H new ATOM 0 HD2 TYR A 463 5.237 -4.011 8.756 1.00 0.00 H new ATOM 0 HE1 TYR A 463 1.345 -4.664 11.692 1.00 0.00 H new ATOM 0 HE2 TYR A 463 5.415 -5.480 10.715 1.00 0.00 H new ATOM 0 HH TYR A 463 4.395 -6.353 12.471 1.00 0.00 H new ATOM 636 N HIS A 464 5.617 -0.558 7.525 1.00 0.00 N ATOM 637 CA HIS A 464 7.047 -0.337 7.710 1.00 0.00 C ATOM 638 C HIS A 464 7.350 1.148 7.878 1.00 0.00 C ATOM 639 O HIS A 464 8.004 1.555 8.839 1.00 0.00 O ATOM 640 CB HIS A 464 7.828 -0.898 6.522 1.00 0.00 C ATOM 641 CG HIS A 464 7.933 -2.392 6.526 1.00 0.00 C ATOM 642 ND1 HIS A 464 8.231 -3.123 7.656 1.00 0.00 N ATOM 643 CD2 HIS A 464 7.775 -3.293 5.528 1.00 0.00 C ATOM 644 CE1 HIS A 464 8.254 -4.409 7.353 1.00 0.00 C ATOM 645 NE2 HIS A 464 7.980 -4.539 6.068 1.00 0.00 N ATOM 0 H HIS A 464 5.286 -0.403 6.573 1.00 0.00 H new ATOM 0 HA HIS A 464 7.356 -0.857 8.617 1.00 0.00 H new ATOM 0 HB2 HIS A 464 7.347 -0.578 5.598 1.00 0.00 H new ATOM 0 HB3 HIS A 464 8.831 -0.471 6.523 1.00 0.00 H new ATOM 0 HD2 HIS A 464 7.533 -3.073 4.499 1.00 0.00 H new ATOM 0 HE1 HIS A 464 8.462 -5.216 8.040 1.00 0.00 H new ATOM 0 HE2 HIS A 464 7.929 -5.421 5.559 1.00 0.00 H new ATOM 653 N THR A 465 6.872 1.956 6.937 1.00 0.00 N ATOM 654 CA THR A 465 7.093 3.395 6.979 1.00 0.00 C ATOM 655 C THR A 465 7.110 3.907 8.415 1.00 0.00 C ATOM 656 O THR A 465 7.863 4.821 8.751 1.00 0.00 O ATOM 657 CB THR A 465 6.011 4.154 6.188 1.00 0.00 C ATOM 658 OG1 THR A 465 4.753 4.060 6.866 1.00 0.00 O ATOM 659 CG2 THR A 465 5.877 3.594 4.780 1.00 0.00 C ATOM 0 H THR A 465 6.328 1.637 6.135 1.00 0.00 H new ATOM 0 HA THR A 465 8.064 3.579 6.519 1.00 0.00 H new ATOM 0 HB THR A 465 6.309 5.200 6.119 1.00 0.00 H new ATOM 0 HG1 THR A 465 4.639 3.153 7.219 1.00 0.00 H new ATOM 0 HG21 THR A 465 5.107 4.146 4.241 1.00 0.00 H new ATOM 0 HG22 THR A 465 6.828 3.693 4.257 1.00 0.00 H new ATOM 0 HG23 THR A 465 5.600 2.541 4.832 1.00 0.00 H new ATOM 667 N THR A 466 6.275 3.311 9.261 1.00 0.00 N ATOM 668 CA THR A 466 6.193 3.707 10.661 1.00 0.00 C ATOM 669 C THR A 466 6.224 2.490 11.579 1.00 0.00 C ATOM 670 O THR A 466 6.850 2.515 12.637 1.00 0.00 O ATOM 671 CB THR A 466 4.913 4.516 10.942 1.00 0.00 C ATOM 672 OG1 THR A 466 3.758 3.717 10.668 1.00 0.00 O ATOM 673 CG2 THR A 466 4.875 5.780 10.096 1.00 0.00 C ATOM 0 H THR A 466 5.646 2.552 9.000 1.00 0.00 H new ATOM 0 HA THR A 466 7.061 4.334 10.864 1.00 0.00 H new ATOM 0 HB THR A 466 4.914 4.802 11.994 1.00 0.00 H new ATOM 0 HG1 THR A 466 2.949 4.238 10.851 1.00 0.00 H new ATOM 0 HG21 THR A 466 3.962 6.335 10.312 1.00 0.00 H new ATOM 0 HG22 THR A 466 5.740 6.400 10.330 1.00 0.00 H new ATOM 0 HG23 THR A 466 4.895 5.512 9.040 1.00 0.00 H new ATOM 681 N GLY A 467 5.543 1.425 11.165 1.00 0.00 N ATOM 682 CA GLY A 467 5.506 0.213 11.962 1.00 0.00 C ATOM 683 C GLY A 467 4.135 -0.433 11.972 1.00 0.00 C ATOM 684 O GLY A 467 4.018 -1.656 11.929 1.00 0.00 O ATOM 0 H GLY A 467 5.017 1.380 10.292 1.00 0.00 H new ATOM 0 HA2 GLY A 467 6.236 -0.497 11.572 1.00 0.00 H new ATOM 0 HA3 GLY A 467 5.802 0.445 12.985 1.00 0.00 H new ATOM 688 N ASN A 468 3.095 0.392 12.032 1.00 0.00 N ATOM 689 CA ASN A 468 1.724 -0.106 12.050 1.00 0.00 C ATOM 690 C ASN A 468 1.017 0.199 10.733 1.00 0.00 C ATOM 691 O ASN A 468 1.345 1.170 10.050 1.00 0.00 O ATOM 692 CB ASN A 468 0.949 0.515 13.214 1.00 0.00 C ATOM 693 CG ASN A 468 1.282 -0.135 14.543 1.00 0.00 C ATOM 694 OD1 ASN A 468 2.450 -0.248 14.916 1.00 0.00 O ATOM 695 ND2 ASN A 468 0.254 -0.566 15.264 1.00 0.00 N ATOM 0 H ASN A 468 3.175 1.408 12.069 1.00 0.00 H new ATOM 0 HA ASN A 468 1.758 -1.188 12.181 1.00 0.00 H new ATOM 0 HB2 ASN A 468 1.172 1.581 13.268 1.00 0.00 H new ATOM 0 HB3 ASN A 468 -0.121 0.422 13.025 1.00 0.00 H new ATOM 0 HD21 ASN A 468 0.416 -1.012 16.167 1.00 0.00 H new ATOM 0 HD22 ASN A 468 -0.698 -0.451 14.915 1.00 0.00 H new ATOM 702 N CYS A 469 0.045 -0.637 10.382 1.00 0.00 N ATOM 703 CA CYS A 469 -0.709 -0.458 9.148 1.00 0.00 C ATOM 704 C CYS A 469 -2.107 0.081 9.438 1.00 0.00 C ATOM 705 O CYS A 469 -2.744 -0.310 10.416 1.00 0.00 O ATOM 706 CB CYS A 469 -0.809 -1.784 8.390 1.00 0.00 C ATOM 707 SG CYS A 469 -1.533 -1.636 6.725 1.00 0.00 S ATOM 0 H CYS A 469 -0.239 -1.445 10.936 1.00 0.00 H new ATOM 0 HA CYS A 469 -0.180 0.267 8.530 1.00 0.00 H new ATOM 0 HB2 CYS A 469 0.188 -2.217 8.304 1.00 0.00 H new ATOM 0 HB3 CYS A 469 -1.410 -2.480 8.975 1.00 0.00 H new ATOM 0 HG CYS A 469 -0.656 -1.998 5.837 1.00 0.00 H new ATOM 712 N ILE A 470 -2.578 0.981 8.580 1.00 0.00 N ATOM 713 CA ILE A 470 -3.900 1.572 8.744 1.00 0.00 C ATOM 714 C ILE A 470 -4.997 0.570 8.401 1.00 0.00 C ATOM 715 O ILE A 470 -6.083 0.601 8.978 1.00 0.00 O ATOM 716 CB ILE A 470 -4.069 2.823 7.862 1.00 0.00 C ATOM 717 CG1 ILE A 470 -5.446 3.451 8.089 1.00 0.00 C ATOM 718 CG2 ILE A 470 -3.879 2.468 6.395 1.00 0.00 C ATOM 719 CD1 ILE A 470 -5.594 4.110 9.442 1.00 0.00 C ATOM 0 H ILE A 470 -2.064 1.316 7.765 1.00 0.00 H new ATOM 0 HA ILE A 470 -3.990 1.860 9.791 1.00 0.00 H new ATOM 0 HB ILE A 470 -3.307 3.551 8.141 1.00 0.00 H new ATOM 0 HG12 ILE A 470 -5.631 4.192 7.311 1.00 0.00 H new ATOM 0 HG13 ILE A 470 -6.210 2.680 7.984 1.00 0.00 H new ATOM 0 HG21 ILE A 470 -4.002 3.363 5.785 1.00 0.00 H new ATOM 0 HG22 ILE A 470 -2.879 2.061 6.246 1.00 0.00 H new ATOM 0 HG23 ILE A 470 -4.620 1.725 6.102 1.00 0.00 H new ATOM 0 HD11 ILE A 470 -6.594 4.533 9.533 1.00 0.00 H new ATOM 0 HD12 ILE A 470 -5.441 3.369 10.226 1.00 0.00 H new ATOM 0 HD13 ILE A 470 -4.854 4.904 9.543 1.00 0.00 H new ATOM 731 N ASN A 471 -4.704 -0.320 7.458 1.00 0.00 N ATOM 732 CA ASN A 471 -5.665 -1.334 7.039 1.00 0.00 C ATOM 733 C ASN A 471 -6.231 -2.078 8.244 1.00 0.00 C ATOM 734 O ASN A 471 -7.409 -1.946 8.571 1.00 0.00 O ATOM 735 CB ASN A 471 -5.006 -2.324 6.076 1.00 0.00 C ATOM 736 CG ASN A 471 -4.605 -1.677 4.765 1.00 0.00 C ATOM 737 OD1 ASN A 471 -3.525 -1.098 4.650 1.00 0.00 O ATOM 738 ND2 ASN A 471 -5.477 -1.772 3.768 1.00 0.00 N ATOM 0 H ASN A 471 -3.809 -0.359 6.970 1.00 0.00 H new ATOM 0 HA ASN A 471 -6.486 -0.832 6.527 1.00 0.00 H new ATOM 0 HB2 ASN A 471 -4.124 -2.755 6.550 1.00 0.00 H new ATOM 0 HB3 ASN A 471 -5.694 -3.145 5.877 1.00 0.00 H new ATOM 0 HD21 ASN A 471 -5.263 -1.355 2.862 1.00 0.00 H new ATOM 0 HD22 ASN A 471 -6.361 -2.262 3.908 1.00 0.00 H new ATOM 745 N GLY A 472 -5.381 -2.862 8.901 1.00 0.00 N ATOM 746 CA GLY A 472 -5.814 -3.615 10.063 1.00 0.00 C ATOM 747 C GLY A 472 -5.142 -4.971 10.159 1.00 0.00 C ATOM 748 O GLY A 472 -4.065 -5.177 9.600 1.00 0.00 O ATOM 0 H GLY A 472 -4.401 -2.989 8.649 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -5.599 -3.042 10.965 1.00 0.00 H new ATOM 0 HA3 GLY A 472 -6.895 -3.751 10.022 1.00 0.00 H new ATOM 752 N ASP A 473 -5.777 -5.895 10.870 1.00 0.00 N ATOM 753 CA ASP A 473 -5.234 -7.238 11.038 1.00 0.00 C ATOM 754 C ASP A 473 -5.397 -8.054 9.759 1.00 0.00 C ATOM 755 O ASP A 473 -4.600 -8.950 9.477 1.00 0.00 O ATOM 756 CB ASP A 473 -5.924 -7.949 12.203 1.00 0.00 C ATOM 757 CG ASP A 473 -5.389 -7.507 13.550 1.00 0.00 C ATOM 758 OD1 ASP A 473 -4.292 -7.965 13.933 1.00 0.00 O ATOM 759 OD2 ASP A 473 -6.067 -6.701 14.222 1.00 0.00 O ATOM 0 H ASP A 473 -6.669 -5.739 11.340 1.00 0.00 H new ATOM 0 HA ASP A 473 -4.170 -7.148 11.257 1.00 0.00 H new ATOM 0 HB2 ASP A 473 -6.996 -7.755 12.160 1.00 0.00 H new ATOM 0 HB3 ASP A 473 -5.791 -9.026 12.098 1.00 0.00 H new ATOM 764 N ASP A 474 -6.433 -7.739 8.991 1.00 0.00 N ATOM 765 CA ASP A 474 -6.701 -8.443 7.742 1.00 0.00 C ATOM 766 C ASP A 474 -6.306 -7.589 6.541 1.00 0.00 C ATOM 767 O ASP A 474 -7.112 -7.354 5.641 1.00 0.00 O ATOM 768 CB ASP A 474 -8.181 -8.819 7.651 1.00 0.00 C ATOM 769 CG ASP A 474 -8.728 -9.339 8.966 1.00 0.00 C ATOM 770 OD1 ASP A 474 -8.769 -8.559 9.940 1.00 0.00 O ATOM 771 OD2 ASP A 474 -9.115 -10.525 9.021 1.00 0.00 O ATOM 0 H ASP A 474 -7.102 -7.001 9.211 1.00 0.00 H new ATOM 0 HA ASP A 474 -6.101 -9.353 7.731 1.00 0.00 H new ATOM 0 HB2 ASP A 474 -8.756 -7.946 7.341 1.00 0.00 H new ATOM 0 HB3 ASP A 474 -8.313 -9.578 6.880 1.00 0.00 H new ATOM 776 N CYS A 475 -5.060 -7.126 6.536 1.00 0.00 N ATOM 777 CA CYS A 475 -4.557 -6.296 5.447 1.00 0.00 C ATOM 778 C CYS A 475 -4.313 -7.132 4.195 1.00 0.00 C ATOM 779 O CYS A 475 -3.970 -8.311 4.280 1.00 0.00 O ATOM 780 CB CYS A 475 -3.263 -5.596 5.868 1.00 0.00 C ATOM 781 SG CYS A 475 -2.592 -4.459 4.613 1.00 0.00 S ATOM 0 H CYS A 475 -4.380 -7.311 7.274 1.00 0.00 H new ATOM 0 HA CYS A 475 -5.311 -5.543 5.218 1.00 0.00 H new ATOM 0 HB2 CYS A 475 -3.446 -5.039 6.787 1.00 0.00 H new ATOM 0 HB3 CYS A 475 -2.512 -6.352 6.097 1.00 0.00 H new ATOM 0 HG CYS A 475 -2.143 -3.387 5.195 1.00 0.00 H new ATOM 786 N MET A 476 -4.491 -6.513 3.032 1.00 0.00 N ATOM 787 CA MET A 476 -4.288 -7.199 1.762 1.00 0.00 C ATOM 788 C MET A 476 -2.803 -7.284 1.421 1.00 0.00 C ATOM 789 O MET A 476 -2.433 -7.642 0.303 1.00 0.00 O ATOM 790 CB MET A 476 -5.040 -6.478 0.642 1.00 0.00 C ATOM 791 CG MET A 476 -4.598 -5.037 0.443 1.00 0.00 C ATOM 792 SD MET A 476 -3.047 -4.906 -0.468 1.00 0.00 S ATOM 793 CE MET A 476 -3.630 -5.076 -2.153 1.00 0.00 C ATOM 0 H MET A 476 -4.775 -5.537 2.944 1.00 0.00 H new ATOM 0 HA MET A 476 -4.679 -8.212 1.858 1.00 0.00 H new ATOM 0 HB2 MET A 476 -4.898 -7.025 -0.290 1.00 0.00 H new ATOM 0 HB3 MET A 476 -6.107 -6.495 0.863 1.00 0.00 H new ATOM 0 HG2 MET A 476 -5.376 -4.493 -0.092 1.00 0.00 H new ATOM 0 HG3 MET A 476 -4.485 -4.558 1.416 1.00 0.00 H new ATOM 0 HE1 MET A 476 -2.792 -4.963 -2.841 1.00 0.00 H new ATOM 0 HE2 MET A 476 -4.078 -6.061 -2.285 1.00 0.00 H new ATOM 0 HE3 MET A 476 -4.375 -4.308 -2.359 1.00 0.00 H new ATOM 803 N PHE A 477 -1.958 -6.952 2.391 1.00 0.00 N ATOM 804 CA PHE A 477 -0.514 -6.990 2.193 1.00 0.00 C ATOM 805 C PHE A 477 0.157 -7.869 3.244 1.00 0.00 C ATOM 806 O PHE A 477 -0.400 -8.108 4.316 1.00 0.00 O ATOM 807 CB PHE A 477 0.067 -5.575 2.249 1.00 0.00 C ATOM 808 CG PHE A 477 -0.159 -4.785 0.992 1.00 0.00 C ATOM 809 CD1 PHE A 477 0.096 -5.345 -0.250 1.00 0.00 C ATOM 810 CD2 PHE A 477 -0.625 -3.481 1.052 1.00 0.00 C ATOM 811 CE1 PHE A 477 -0.111 -4.620 -1.409 1.00 0.00 C ATOM 812 CE2 PHE A 477 -0.835 -2.752 -0.104 1.00 0.00 C ATOM 813 CZ PHE A 477 -0.576 -3.322 -1.335 1.00 0.00 C ATOM 0 H PHE A 477 -2.248 -6.654 3.322 1.00 0.00 H new ATOM 0 HA PHE A 477 -0.319 -7.417 1.210 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -0.377 -5.041 3.089 1.00 0.00 H new ATOM 0 HB3 PHE A 477 1.138 -5.638 2.442 1.00 0.00 H new ATOM 0 HD1 PHE A 477 0.461 -6.360 -0.313 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -0.826 -3.029 2.012 1.00 0.00 H new ATOM 0 HE1 PHE A 477 0.091 -5.068 -2.371 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -1.201 -1.738 -0.044 1.00 0.00 H new ATOM 0 HZ PHE A 477 -0.737 -2.753 -2.239 1.00 0.00 H new ATOM 823 N SER A 478 1.356 -8.347 2.929 1.00 0.00 N ATOM 824 CA SER A 478 2.102 -9.204 3.844 1.00 0.00 C ATOM 825 C SER A 478 2.732 -8.383 4.965 1.00 0.00 C ATOM 826 O SER A 478 3.331 -7.335 4.722 1.00 0.00 O ATOM 827 CB SER A 478 3.187 -9.972 3.087 1.00 0.00 C ATOM 828 OG SER A 478 2.678 -11.182 2.554 1.00 0.00 O ATOM 0 H SER A 478 1.832 -8.156 2.047 1.00 0.00 H new ATOM 0 HA SER A 478 1.405 -9.916 4.286 1.00 0.00 H new ATOM 0 HB2 SER A 478 3.580 -9.353 2.281 1.00 0.00 H new ATOM 0 HB3 SER A 478 4.019 -10.188 3.757 1.00 0.00 H new ATOM 0 HG SER A 478 2.084 -10.983 1.801 1.00 0.00 H new ATOM 834 N HIS A 479 2.591 -8.866 6.195 1.00 0.00 N ATOM 835 CA HIS A 479 3.146 -8.178 7.356 1.00 0.00 C ATOM 836 C HIS A 479 4.330 -8.951 7.930 1.00 0.00 C ATOM 837 O HIS A 479 4.701 -8.765 9.089 1.00 0.00 O ATOM 838 CB HIS A 479 2.072 -7.995 8.428 1.00 0.00 C ATOM 839 CG HIS A 479 1.152 -6.843 8.164 1.00 0.00 C ATOM 840 ND1 HIS A 479 0.273 -6.351 9.105 1.00 0.00 N ATOM 841 CD2 HIS A 479 0.980 -6.084 7.057 1.00 0.00 C ATOM 842 CE1 HIS A 479 -0.403 -5.341 8.588 1.00 0.00 C ATOM 843 NE2 HIS A 479 0.008 -5.157 7.346 1.00 0.00 N ATOM 0 H HIS A 479 2.097 -9.731 6.414 1.00 0.00 H new ATOM 0 HA HIS A 479 3.497 -7.198 7.034 1.00 0.00 H new ATOM 0 HB2 HIS A 479 1.484 -8.910 8.501 1.00 0.00 H new ATOM 0 HB3 HIS A 479 2.556 -7.849 9.394 1.00 0.00 H new ATOM 0 HD2 HIS A 479 1.508 -6.188 6.121 1.00 0.00 H new ATOM 0 HE1 HIS A 479 -1.162 -4.764 9.094 1.00 0.00 H new ATOM 0 HE2 HIS A 479 -0.340 -4.443 6.706 1.00 0.00 H new ATOM 851 N ASP A 480 4.917 -9.818 7.113 1.00 0.00 N ATOM 852 CA ASP A 480 6.058 -10.619 7.540 1.00 0.00 C ATOM 853 C ASP A 480 7.283 -9.740 7.770 1.00 0.00 C ATOM 854 O ASP A 480 7.382 -8.624 7.258 1.00 0.00 O ATOM 855 CB ASP A 480 6.374 -11.692 6.497 1.00 0.00 C ATOM 856 CG ASP A 480 5.171 -12.041 5.643 1.00 0.00 C ATOM 857 OD1 ASP A 480 4.046 -12.057 6.182 1.00 0.00 O ATOM 858 OD2 ASP A 480 5.356 -12.299 4.435 1.00 0.00 O ATOM 0 H ASP A 480 4.622 -9.984 6.151 1.00 0.00 H new ATOM 0 HA ASP A 480 5.798 -11.103 8.481 1.00 0.00 H new ATOM 0 HB2 ASP A 480 7.183 -11.343 5.855 1.00 0.00 H new ATOM 0 HB3 ASP A 480 6.731 -12.590 7.001 1.00 0.00 H new ATOM 863 N PRO A 481 8.239 -10.251 8.560 1.00 0.00 N ATOM 864 CA PRO A 481 9.475 -9.528 8.876 1.00 0.00 C ATOM 865 C PRO A 481 10.400 -9.405 7.670 1.00 0.00 C ATOM 866 O PRO A 481 10.868 -10.408 7.129 1.00 0.00 O ATOM 867 CB PRO A 481 10.123 -10.392 9.961 1.00 0.00 C ATOM 868 CG PRO A 481 9.586 -11.762 9.726 1.00 0.00 C ATOM 869 CD PRO A 481 8.188 -11.574 9.204 1.00 0.00 C ATOM 0 HA PRO A 481 9.279 -8.502 9.189 1.00 0.00 H new ATOM 0 HB2 PRO A 481 11.210 -10.374 9.884 1.00 0.00 H new ATOM 0 HB3 PRO A 481 9.868 -10.033 10.958 1.00 0.00 H new ATOM 0 HG2 PRO A 481 10.201 -12.305 9.008 1.00 0.00 H new ATOM 0 HG3 PRO A 481 9.584 -12.344 10.648 1.00 0.00 H new ATOM 0 HD2 PRO A 481 7.915 -12.356 8.495 1.00 0.00 H new ATOM 0 HD3 PRO A 481 7.452 -11.602 10.008 1.00 0.00 H new ATOM 877 N LEU A 482 10.660 -8.171 7.254 1.00 0.00 N ATOM 878 CA LEU A 482 11.531 -7.917 6.111 1.00 0.00 C ATOM 879 C LEU A 482 12.720 -8.871 6.110 1.00 0.00 C ATOM 880 O LEU A 482 13.294 -9.168 7.158 1.00 0.00 O ATOM 881 CB LEU A 482 12.024 -6.469 6.133 1.00 0.00 C ATOM 882 CG LEU A 482 10.974 -5.397 5.839 1.00 0.00 C ATOM 883 CD1 LEU A 482 11.551 -4.008 6.061 1.00 0.00 C ATOM 884 CD2 LEU A 482 10.451 -5.539 4.416 1.00 0.00 C ATOM 0 H LEU A 482 10.281 -7.331 7.690 1.00 0.00 H new ATOM 0 HA LEU A 482 10.954 -8.084 5.201 1.00 0.00 H new ATOM 0 HB2 LEU A 482 12.454 -6.268 7.114 1.00 0.00 H new ATOM 0 HB3 LEU A 482 12.829 -6.369 5.405 1.00 0.00 H new ATOM 0 HG LEU A 482 10.140 -5.535 6.527 1.00 0.00 H new ATOM 0 HD11 LEU A 482 10.789 -3.259 5.847 1.00 0.00 H new ATOM 0 HD12 LEU A 482 11.875 -3.910 7.097 1.00 0.00 H new ATOM 0 HD13 LEU A 482 12.404 -3.858 5.399 1.00 0.00 H new ATOM 0 HD21 LEU A 482 9.705 -4.768 4.224 1.00 0.00 H new ATOM 0 HD22 LEU A 482 11.276 -5.429 3.712 1.00 0.00 H new ATOM 0 HD23 LEU A 482 9.997 -6.522 4.292 1.00 0.00 H new ATOM 896 N THR A 483 13.088 -9.349 4.925 1.00 0.00 N ATOM 897 CA THR A 483 14.210 -10.269 4.786 1.00 0.00 C ATOM 898 C THR A 483 15.286 -9.690 3.875 1.00 0.00 C ATOM 899 O THR A 483 15.002 -8.856 3.016 1.00 0.00 O ATOM 900 CB THR A 483 13.755 -11.629 4.224 1.00 0.00 C ATOM 901 OG1 THR A 483 12.865 -11.430 3.120 1.00 0.00 O ATOM 902 CG2 THR A 483 13.062 -12.453 5.298 1.00 0.00 C ATOM 0 H THR A 483 12.625 -9.114 4.047 1.00 0.00 H new ATOM 0 HA THR A 483 14.623 -10.416 5.784 1.00 0.00 H new ATOM 0 HB THR A 483 14.638 -12.171 3.885 1.00 0.00 H new ATOM 0 HG1 THR A 483 12.582 -12.299 2.767 1.00 0.00 H new ATOM 0 HG21 THR A 483 12.749 -13.409 4.878 1.00 0.00 H new ATOM 0 HG22 THR A 483 13.751 -12.628 6.124 1.00 0.00 H new ATOM 0 HG23 THR A 483 12.188 -11.914 5.663 1.00 0.00 H new ATOM 910 N GLU A 484 16.523 -10.138 4.068 1.00 0.00 N ATOM 911 CA GLU A 484 17.642 -9.663 3.262 1.00 0.00 C ATOM 912 C GLU A 484 17.240 -9.534 1.796 1.00 0.00 C ATOM 913 O GLU A 484 17.779 -8.703 1.066 1.00 0.00 O ATOM 914 CB GLU A 484 18.834 -10.613 3.394 1.00 0.00 C ATOM 915 CG GLU A 484 18.534 -12.032 2.940 1.00 0.00 C ATOM 916 CD GLU A 484 19.670 -12.992 3.236 1.00 0.00 C ATOM 917 OE1 GLU A 484 20.837 -12.546 3.243 1.00 0.00 O ATOM 918 OE2 GLU A 484 19.392 -14.188 3.462 1.00 0.00 O ATOM 0 H GLU A 484 16.775 -10.829 4.775 1.00 0.00 H new ATOM 0 HA GLU A 484 17.929 -8.678 3.630 1.00 0.00 H new ATOM 0 HB2 GLU A 484 19.666 -10.222 2.809 1.00 0.00 H new ATOM 0 HB3 GLU A 484 19.158 -10.634 4.435 1.00 0.00 H new ATOM 0 HG2 GLU A 484 17.628 -12.384 3.434 1.00 0.00 H new ATOM 0 HG3 GLU A 484 18.333 -12.032 1.869 1.00 0.00 H new ATOM 925 N GLU A 485 16.290 -10.363 1.373 1.00 0.00 N ATOM 926 CA GLU A 485 15.818 -10.342 -0.006 1.00 0.00 C ATOM 927 C GLU A 485 14.821 -9.206 -0.223 1.00 0.00 C ATOM 928 O GLU A 485 15.151 -8.180 -0.819 1.00 0.00 O ATOM 929 CB GLU A 485 15.169 -11.680 -0.366 1.00 0.00 C ATOM 930 CG GLU A 485 14.679 -11.751 -1.803 1.00 0.00 C ATOM 931 CD GLU A 485 13.468 -12.649 -1.962 1.00 0.00 C ATOM 932 OE1 GLU A 485 12.366 -12.242 -1.539 1.00 0.00 O ATOM 933 OE2 GLU A 485 13.622 -13.761 -2.511 1.00 0.00 O ATOM 0 H GLU A 485 15.833 -11.056 1.965 1.00 0.00 H new ATOM 0 HA GLU A 485 16.678 -10.177 -0.655 1.00 0.00 H new ATOM 0 HB2 GLU A 485 15.889 -12.481 -0.196 1.00 0.00 H new ATOM 0 HB3 GLU A 485 14.329 -11.859 0.305 1.00 0.00 H new ATOM 0 HG2 GLU A 485 14.430 -10.747 -2.148 1.00 0.00 H new ATOM 0 HG3 GLU A 485 15.484 -12.117 -2.440 1.00 0.00 H new ATOM 940 N THR A 486 13.600 -9.397 0.265 1.00 0.00 N ATOM 941 CA THR A 486 12.554 -8.392 0.125 1.00 0.00 C ATOM 942 C THR A 486 13.075 -7.004 0.479 1.00 0.00 C ATOM 943 O THR A 486 12.860 -6.042 -0.259 1.00 0.00 O ATOM 944 CB THR A 486 11.340 -8.715 1.015 1.00 0.00 C ATOM 945 OG1 THR A 486 11.779 -9.074 2.330 1.00 0.00 O ATOM 946 CG2 THR A 486 10.520 -9.850 0.421 1.00 0.00 C ATOM 0 H THR A 486 13.311 -10.240 0.761 1.00 0.00 H new ATOM 0 HA THR A 486 12.242 -8.405 -0.919 1.00 0.00 H new ATOM 0 HB THR A 486 10.712 -7.826 1.072 1.00 0.00 H new ATOM 0 HG1 THR A 486 12.127 -9.990 2.320 1.00 0.00 H new ATOM 0 HG21 THR A 486 9.668 -10.060 1.067 1.00 0.00 H new ATOM 0 HG22 THR A 486 10.163 -9.562 -0.568 1.00 0.00 H new ATOM 0 HG23 THR A 486 11.141 -10.742 0.337 1.00 0.00 H new ATOM 954 N ARG A 487 13.762 -6.906 1.613 1.00 0.00 N ATOM 955 CA ARG A 487 14.314 -5.635 2.065 1.00 0.00 C ATOM 956 C ARG A 487 14.881 -4.840 0.892 1.00 0.00 C ATOM 957 O ARG A 487 14.735 -3.620 0.829 1.00 0.00 O ATOM 958 CB ARG A 487 15.406 -5.871 3.110 1.00 0.00 C ATOM 959 CG ARG A 487 15.558 -4.728 4.100 1.00 0.00 C ATOM 960 CD ARG A 487 15.887 -3.421 3.396 1.00 0.00 C ATOM 961 NE ARG A 487 16.686 -2.533 4.235 1.00 0.00 N ATOM 962 CZ ARG A 487 16.789 -1.224 4.031 1.00 0.00 C ATOM 963 NH1 ARG A 487 16.146 -0.655 3.021 1.00 0.00 N ATOM 964 NH2 ARG A 487 17.536 -0.482 4.839 1.00 0.00 N ATOM 0 H ARG A 487 13.949 -7.692 2.235 1.00 0.00 H new ATOM 0 HA ARG A 487 13.507 -5.058 2.517 1.00 0.00 H new ATOM 0 HB2 ARG A 487 15.182 -6.787 3.657 1.00 0.00 H new ATOM 0 HB3 ARG A 487 16.357 -6.028 2.601 1.00 0.00 H new ATOM 0 HG2 ARG A 487 14.636 -4.614 4.670 1.00 0.00 H new ATOM 0 HG3 ARG A 487 16.346 -4.966 4.814 1.00 0.00 H new ATOM 0 HD2 ARG A 487 16.428 -3.632 2.474 1.00 0.00 H new ATOM 0 HD3 ARG A 487 14.962 -2.918 3.114 1.00 0.00 H new ATOM 0 HE ARG A 487 17.193 -2.940 5.021 1.00 0.00 H new ATOM 0 HH11 ARG A 487 15.571 -1.222 2.398 1.00 0.00 H new ATOM 0 HH12 ARG A 487 16.227 0.350 2.866 1.00 0.00 H new ATOM 0 HH21 ARG A 487 18.032 -0.916 5.617 1.00 0.00 H new ATOM 0 HH22 ARG A 487 17.614 0.523 4.682 1.00 0.00 H new ATOM 978 N GLU A 488 15.528 -5.541 -0.033 1.00 0.00 N ATOM 979 CA GLU A 488 16.118 -4.900 -1.203 1.00 0.00 C ATOM 980 C GLU A 488 15.038 -4.296 -2.095 1.00 0.00 C ATOM 981 O GLU A 488 15.212 -3.211 -2.652 1.00 0.00 O ATOM 982 CB GLU A 488 16.948 -5.908 -2.000 1.00 0.00 C ATOM 983 CG GLU A 488 18.358 -6.095 -1.465 1.00 0.00 C ATOM 984 CD GLU A 488 19.297 -4.984 -1.893 1.00 0.00 C ATOM 985 OE1 GLU A 488 18.819 -3.849 -2.099 1.00 0.00 O ATOM 986 OE2 GLU A 488 20.510 -5.250 -2.021 1.00 0.00 O ATOM 0 H GLU A 488 15.657 -6.552 0.004 1.00 0.00 H new ATOM 0 HA GLU A 488 16.769 -4.098 -0.856 1.00 0.00 H new ATOM 0 HB2 GLU A 488 16.437 -6.871 -1.996 1.00 0.00 H new ATOM 0 HB3 GLU A 488 17.003 -5.580 -3.038 1.00 0.00 H new ATOM 0 HG2 GLU A 488 18.326 -6.140 -0.376 1.00 0.00 H new ATOM 0 HG3 GLU A 488 18.750 -7.051 -1.812 1.00 0.00 H new ATOM 993 N LEU A 489 13.922 -5.005 -2.226 1.00 0.00 N ATOM 994 CA LEU A 489 12.813 -4.540 -3.051 1.00 0.00 C ATOM 995 C LEU A 489 12.439 -3.103 -2.701 1.00 0.00 C ATOM 996 O LEU A 489 12.529 -2.205 -3.539 1.00 0.00 O ATOM 997 CB LEU A 489 11.599 -5.452 -2.869 1.00 0.00 C ATOM 998 CG LEU A 489 11.812 -6.928 -3.207 1.00 0.00 C ATOM 999 CD1 LEU A 489 10.535 -7.720 -2.972 1.00 0.00 C ATOM 1000 CD2 LEU A 489 12.279 -7.083 -4.647 1.00 0.00 C ATOM 0 H LEU A 489 13.761 -5.904 -1.771 1.00 0.00 H new ATOM 0 HA LEU A 489 13.131 -4.570 -4.093 1.00 0.00 H new ATOM 0 HB2 LEU A 489 11.269 -5.381 -1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 489 10.787 -5.071 -3.489 1.00 0.00 H new ATOM 0 HG LEU A 489 12.586 -7.323 -2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 489 10.706 -8.768 -3.218 1.00 0.00 H new ATOM 0 HD12 LEU A 489 10.242 -7.636 -1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 489 9.740 -7.324 -3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 489 12.426 -8.140 -4.870 1.00 0.00 H new ATOM 0 HD22 LEU A 489 11.527 -6.671 -5.320 1.00 0.00 H new ATOM 0 HD23 LEU A 489 13.220 -6.549 -4.784 1.00 0.00 H new ATOM 1012 N LEU A 490 12.022 -2.891 -1.457 1.00 0.00 N ATOM 1013 CA LEU A 490 11.638 -1.562 -0.995 1.00 0.00 C ATOM 1014 C LEU A 490 12.603 -0.503 -1.518 1.00 0.00 C ATOM 1015 O LEU A 490 12.192 0.460 -2.166 1.00 0.00 O ATOM 1016 CB LEU A 490 11.599 -1.524 0.534 1.00 0.00 C ATOM 1017 CG LEU A 490 10.511 -2.367 1.199 1.00 0.00 C ATOM 1018 CD1 LEU A 490 10.816 -2.563 2.676 1.00 0.00 C ATOM 1019 CD2 LEU A 490 9.147 -1.719 1.016 1.00 0.00 C ATOM 0 H LEU A 490 11.941 -3.622 -0.751 1.00 0.00 H new ATOM 0 HA LEU A 490 10.643 -1.343 -1.383 1.00 0.00 H new ATOM 0 HB2 LEU A 490 12.567 -1.854 0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 490 11.471 -0.488 0.849 1.00 0.00 H new ATOM 0 HG LEU A 490 10.493 -3.346 0.719 1.00 0.00 H new ATOM 0 HD11 LEU A 490 10.031 -3.165 3.133 1.00 0.00 H new ATOM 0 HD12 LEU A 490 11.774 -3.072 2.785 1.00 0.00 H new ATOM 0 HD13 LEU A 490 10.862 -1.592 3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 490 8.385 -2.333 1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 490 9.152 -0.727 1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 490 8.926 -1.631 -0.048 1.00 0.00 H new ATOM 1031 N ASP A 491 13.887 -0.689 -1.234 1.00 0.00 N ATOM 1032 CA ASP A 491 14.912 0.248 -1.678 1.00 0.00 C ATOM 1033 C ASP A 491 14.625 0.736 -3.095 1.00 0.00 C ATOM 1034 O ASP A 491 14.718 1.929 -3.383 1.00 0.00 O ATOM 1035 CB ASP A 491 16.293 -0.407 -1.620 1.00 0.00 C ATOM 1036 CG ASP A 491 16.741 -0.688 -0.200 1.00 0.00 C ATOM 1037 OD1 ASP A 491 16.971 0.281 0.553 1.00 0.00 O ATOM 1038 OD2 ASP A 491 16.861 -1.878 0.159 1.00 0.00 O ATOM 0 H ASP A 491 14.243 -1.480 -0.698 1.00 0.00 H new ATOM 0 HA ASP A 491 14.899 1.107 -1.007 1.00 0.00 H new ATOM 0 HB2 ASP A 491 16.273 -1.340 -2.183 1.00 0.00 H new ATOM 0 HB3 ASP A 491 17.021 0.243 -2.106 1.00 0.00 H new ATOM 1043 N LYS A 492 14.278 -0.196 -3.976 1.00 0.00 N ATOM 1044 CA LYS A 492 13.978 0.137 -5.364 1.00 0.00 C ATOM 1045 C LYS A 492 12.567 0.704 -5.494 1.00 0.00 C ATOM 1046 O LYS A 492 12.324 1.611 -6.289 1.00 0.00 O ATOM 1047 CB LYS A 492 14.125 -1.101 -6.251 1.00 0.00 C ATOM 1048 CG LYS A 492 14.287 -0.777 -7.726 1.00 0.00 C ATOM 1049 CD LYS A 492 15.684 -0.266 -8.035 1.00 0.00 C ATOM 1050 CE LYS A 492 16.630 -1.406 -8.382 1.00 0.00 C ATOM 1051 NZ LYS A 492 17.228 -2.021 -7.165 1.00 0.00 N ATOM 0 H LYS A 492 14.197 -1.188 -3.754 1.00 0.00 H new ATOM 0 HA LYS A 492 14.688 0.896 -5.691 1.00 0.00 H new ATOM 0 HB2 LYS A 492 14.988 -1.676 -5.917 1.00 0.00 H new ATOM 0 HB3 LYS A 492 13.249 -1.737 -6.121 1.00 0.00 H new ATOM 0 HG2 LYS A 492 14.085 -1.669 -8.319 1.00 0.00 H new ATOM 0 HG3 LYS A 492 13.552 -0.027 -8.018 1.00 0.00 H new ATOM 0 HD2 LYS A 492 15.640 0.437 -8.866 1.00 0.00 H new ATOM 0 HD3 LYS A 492 16.071 0.281 -7.175 1.00 0.00 H new ATOM 0 HE2 LYS A 492 16.090 -2.167 -8.945 1.00 0.00 H new ATOM 0 HE3 LYS A 492 17.425 -1.034 -9.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 18.158 -2.422 -7.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 17.340 -1.295 -6.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 16.604 -2.776 -6.815 1.00 0.00 H new ATOM 1065 N MET A 493 11.643 0.164 -4.707 1.00 0.00 N ATOM 1066 CA MET A 493 10.257 0.618 -4.733 1.00 0.00 C ATOM 1067 C MET A 493 10.148 2.060 -4.248 1.00 0.00 C ATOM 1068 O MET A 493 9.808 2.961 -5.017 1.00 0.00 O ATOM 1069 CB MET A 493 9.383 -0.291 -3.867 1.00 0.00 C ATOM 1070 CG MET A 493 7.902 -0.208 -4.200 1.00 0.00 C ATOM 1071 SD MET A 493 7.109 1.242 -3.481 1.00 0.00 S ATOM 1072 CE MET A 493 6.960 0.733 -1.770 1.00 0.00 C ATOM 0 H MET A 493 11.828 -0.588 -4.043 1.00 0.00 H new ATOM 0 HA MET A 493 9.906 0.572 -5.764 1.00 0.00 H new ATOM 0 HB2 MET A 493 9.716 -1.322 -3.986 1.00 0.00 H new ATOM 0 HB3 MET A 493 9.527 -0.028 -2.819 1.00 0.00 H new ATOM 0 HG2 MET A 493 7.778 -0.186 -5.283 1.00 0.00 H new ATOM 0 HG3 MET A 493 7.402 -1.107 -3.840 1.00 0.00 H new ATOM 0 HE1 MET A 493 5.929 0.863 -1.440 1.00 0.00 H new ATOM 0 HE2 MET A 493 7.241 -0.316 -1.677 1.00 0.00 H new ATOM 0 HE3 MET A 493 7.619 1.342 -1.151 1.00 0.00 H new ATOM 1082 N LEU A 494 10.439 2.272 -2.969 1.00 0.00 N ATOM 1083 CA LEU A 494 10.373 3.606 -2.381 1.00 0.00 C ATOM 1084 C LEU A 494 10.916 4.654 -3.347 1.00 0.00 C ATOM 1085 O LEU A 494 10.280 5.681 -3.586 1.00 0.00 O ATOM 1086 CB LEU A 494 11.162 3.646 -1.071 1.00 0.00 C ATOM 1087 CG LEU A 494 10.578 2.840 0.089 1.00 0.00 C ATOM 1088 CD1 LEU A 494 11.676 2.425 1.057 1.00 0.00 C ATOM 1089 CD2 LEU A 494 9.505 3.643 0.810 1.00 0.00 C ATOM 0 H LEU A 494 10.723 1.538 -2.320 1.00 0.00 H new ATOM 0 HA LEU A 494 9.327 3.835 -2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 494 12.171 3.284 -1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 494 11.252 4.686 -0.756 1.00 0.00 H new ATOM 0 HG LEU A 494 10.118 1.938 -0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 494 11.241 1.852 1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 494 12.409 1.811 0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 494 12.165 3.314 1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 494 9.101 3.053 1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 494 9.940 4.562 1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 494 8.705 3.889 0.112 1.00 0.00 H new