USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 465 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 483 THR OG1 : rot -37:sc= 0.419 USER MOD Set 1.2: A 486 THR OG1 : rot 180:sc= 0.972 USER MOD Set 2.1: A 460 CYS SG : rot 90:sc= 1.11 USER MOD Set 2.2: A 469 CYS SG : rot 110:sc= 0.853 USER MOD Set 2.3: A 471 ASN : amide:sc= -0.752 K(o=-2.6,f=0.49) USER MOD Set 2.4: A 475 CYS SG : rot 144:sc= -0.404 USER MOD Set 2.5: A 476 MET CE :methyl -117:sc= -3.38! (180deg=-6.5!) USER MOD Set 3.1: A 461 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 493 MET CE :methyl 143:sc= -6.91! (180deg=-10.8!) USER MOD Set 4.1: A 437 CYS SG : rot 123:sc= 0.091 USER MOD Set 4.2: A 445 CYS SG : rot -85:sc= 1.17 USER MOD Set 4.3: A 451 CYS SG : rot -165:sc= 0.263 USER MOD Set 4.4: A 455 HIS : no HE2:sc= -3.53 K(o=-2,f=-8.5!) USER MOD Set 5.1: A 433 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 453 TYR OH : rot -50:sc= -0.595 USER MOD Single : A 438 LYS NZ :NH3+ -157:sc= -0.0616 (180deg=-0.328) USER MOD Single : A 440 TYR OH : rot -36:sc= -0.453 USER MOD Single : A 442 THR OG1 : rot -18:sc= 0.619 USER MOD Single : A 450 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 454 MET CE :methyl -160:sc= -1.5 (180deg=-2.64!) USER MOD Single : A 463 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 HIS : no HD1:sc= -3.37! C(o=-3.4!,f=-3!) USER MOD Single : A 465 THR OG1 : rot -38:sc= -0.239 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) USER MOD Single : A 478 SER OG : rot 88:sc= 0.184 USER MOD Single : A 479 HIS : no HD1:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 492 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 136 N LYS A 433 9.351 -9.746 -12.232 1.00 0.00 N ATOM 137 CA LYS A 433 9.591 -8.425 -11.663 1.00 0.00 C ATOM 138 C LYS A 433 9.231 -8.398 -10.181 1.00 0.00 C ATOM 139 O LYS A 433 8.060 -8.500 -9.816 1.00 0.00 O ATOM 140 CB LYS A 433 8.780 -7.368 -12.416 1.00 0.00 C ATOM 141 CG LYS A 433 9.422 -6.923 -13.718 1.00 0.00 C ATOM 142 CD LYS A 433 8.903 -5.564 -14.159 1.00 0.00 C ATOM 143 CE LYS A 433 9.533 -5.127 -15.473 1.00 0.00 C ATOM 144 NZ LYS A 433 9.312 -3.678 -15.739 1.00 0.00 N ATOM 0 HA LYS A 433 10.653 -8.200 -11.765 1.00 0.00 H new ATOM 0 HB2 LYS A 433 7.788 -7.766 -12.627 1.00 0.00 H new ATOM 0 HB3 LYS A 433 8.644 -6.499 -11.772 1.00 0.00 H new ATOM 0 HG2 LYS A 433 10.504 -6.878 -13.595 1.00 0.00 H new ATOM 0 HG3 LYS A 433 9.220 -7.660 -14.495 1.00 0.00 H new ATOM 0 HD2 LYS A 433 7.819 -5.605 -14.270 1.00 0.00 H new ATOM 0 HD3 LYS A 433 9.117 -4.824 -13.388 1.00 0.00 H new ATOM 0 HE2 LYS A 433 10.603 -5.333 -15.449 1.00 0.00 H new ATOM 0 HE3 LYS A 433 9.114 -5.714 -16.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 9.756 -3.419 -16.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 8.291 -3.486 -15.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 9.734 -3.116 -14.973 1.00 0.00 H new ATOM 158 N ARG A 434 10.244 -8.258 -9.333 1.00 0.00 N ATOM 159 CA ARG A 434 10.033 -8.217 -7.891 1.00 0.00 C ATOM 160 C ARG A 434 9.546 -6.839 -7.452 1.00 0.00 C ATOM 161 O ARG A 434 10.070 -6.260 -6.501 1.00 0.00 O ATOM 162 CB ARG A 434 11.327 -8.571 -7.155 1.00 0.00 C ATOM 163 CG ARG A 434 11.656 -10.055 -7.182 1.00 0.00 C ATOM 164 CD ARG A 434 10.908 -10.812 -6.096 1.00 0.00 C ATOM 165 NE ARG A 434 11.683 -10.908 -4.862 1.00 0.00 N ATOM 166 CZ ARG A 434 12.613 -11.831 -4.649 1.00 0.00 C ATOM 167 NH1 ARG A 434 12.884 -12.733 -5.582 1.00 0.00 N ATOM 168 NH2 ARG A 434 13.276 -11.853 -3.499 1.00 0.00 N ATOM 0 H ARG A 434 11.219 -8.171 -9.619 1.00 0.00 H new ATOM 0 HA ARG A 434 9.267 -8.951 -7.640 1.00 0.00 H new ATOM 0 HB2 ARG A 434 12.152 -8.016 -7.601 1.00 0.00 H new ATOM 0 HB3 ARG A 434 11.247 -8.244 -6.118 1.00 0.00 H new ATOM 0 HG2 ARG A 434 11.399 -10.468 -8.157 1.00 0.00 H new ATOM 0 HG3 ARG A 434 12.729 -10.193 -7.050 1.00 0.00 H new ATOM 0 HD2 ARG A 434 9.962 -10.311 -5.892 1.00 0.00 H new ATOM 0 HD3 ARG A 434 10.668 -11.814 -6.452 1.00 0.00 H new ATOM 0 HE ARG A 434 11.500 -10.229 -4.123 1.00 0.00 H new ATOM 0 HH11 ARG A 434 12.377 -12.719 -6.467 1.00 0.00 H new ATOM 0 HH12 ARG A 434 13.599 -13.441 -5.415 1.00 0.00 H new ATOM 0 HH21 ARG A 434 13.071 -11.161 -2.779 1.00 0.00 H new ATOM 0 HH22 ARG A 434 13.990 -12.562 -3.336 1.00 0.00 H new ATOM 182 N GLU A 435 8.542 -6.322 -8.152 1.00 0.00 N ATOM 183 CA GLU A 435 7.986 -5.012 -7.834 1.00 0.00 C ATOM 184 C GLU A 435 6.495 -5.114 -7.522 1.00 0.00 C ATOM 185 O GLU A 435 5.807 -6.010 -8.012 1.00 0.00 O ATOM 186 CB GLU A 435 8.209 -4.043 -8.997 1.00 0.00 C ATOM 187 CG GLU A 435 7.873 -2.600 -8.660 1.00 0.00 C ATOM 188 CD GLU A 435 6.419 -2.261 -8.929 1.00 0.00 C ATOM 189 OE1 GLU A 435 5.792 -2.958 -9.754 1.00 0.00 O ATOM 190 OE2 GLU A 435 5.910 -1.300 -8.316 1.00 0.00 O ATOM 0 H GLU A 435 8.097 -6.789 -8.942 1.00 0.00 H new ATOM 0 HA GLU A 435 8.499 -4.633 -6.950 1.00 0.00 H new ATOM 0 HB2 GLU A 435 9.251 -4.101 -9.312 1.00 0.00 H new ATOM 0 HB3 GLU A 435 7.602 -4.360 -9.845 1.00 0.00 H new ATOM 0 HG2 GLU A 435 8.097 -2.415 -7.610 1.00 0.00 H new ATOM 0 HG3 GLU A 435 8.511 -1.936 -9.244 1.00 0.00 H new ATOM 197 N LEU A 436 6.003 -4.190 -6.704 1.00 0.00 N ATOM 198 CA LEU A 436 4.594 -4.175 -6.326 1.00 0.00 C ATOM 199 C LEU A 436 3.712 -3.840 -7.524 1.00 0.00 C ATOM 200 O LEU A 436 3.887 -2.804 -8.167 1.00 0.00 O ATOM 201 CB LEU A 436 4.358 -3.163 -5.204 1.00 0.00 C ATOM 202 CG LEU A 436 2.899 -2.920 -4.815 1.00 0.00 C ATOM 203 CD1 LEU A 436 2.319 -4.147 -4.128 1.00 0.00 C ATOM 204 CD2 LEU A 436 2.783 -1.698 -3.916 1.00 0.00 C ATOM 0 H LEU A 436 6.559 -3.442 -6.290 1.00 0.00 H new ATOM 0 HA LEU A 436 4.328 -5.170 -5.971 1.00 0.00 H new ATOM 0 HB2 LEU A 436 4.898 -3.500 -4.319 1.00 0.00 H new ATOM 0 HB3 LEU A 436 4.797 -2.211 -5.502 1.00 0.00 H new ATOM 0 HG LEU A 436 2.327 -2.733 -5.724 1.00 0.00 H new ATOM 0 HD11 LEU A 436 1.280 -3.956 -3.858 1.00 0.00 H new ATOM 0 HD12 LEU A 436 2.367 -5.000 -4.805 1.00 0.00 H new ATOM 0 HD13 LEU A 436 2.893 -4.365 -3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 436 1.738 -1.540 -3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 436 3.369 -1.856 -3.010 1.00 0.00 H new ATOM 0 HD23 LEU A 436 3.159 -0.821 -4.443 1.00 0.00 H new ATOM 216 N CYS A 437 2.762 -4.721 -7.818 1.00 0.00 N ATOM 217 CA CYS A 437 1.850 -4.518 -8.937 1.00 0.00 C ATOM 218 C CYS A 437 1.099 -3.197 -8.795 1.00 0.00 C ATOM 219 O CYS A 437 0.492 -2.924 -7.759 1.00 0.00 O ATOM 220 CB CYS A 437 0.855 -5.676 -9.027 1.00 0.00 C ATOM 221 SG CYS A 437 -0.095 -5.721 -10.581 1.00 0.00 S ATOM 0 H CYS A 437 2.604 -5.583 -7.296 1.00 0.00 H new ATOM 0 HA CYS A 437 2.440 -4.483 -9.853 1.00 0.00 H new ATOM 0 HB2 CYS A 437 1.397 -6.616 -8.917 1.00 0.00 H new ATOM 0 HB3 CYS A 437 0.160 -5.609 -8.190 1.00 0.00 H new ATOM 0 HG CYS A 437 0.082 -6.869 -11.165 1.00 0.00 H new ATOM 226 N LYS A 438 1.145 -2.381 -9.842 1.00 0.00 N ATOM 227 CA LYS A 438 0.469 -1.089 -9.837 1.00 0.00 C ATOM 228 C LYS A 438 -1.045 -1.268 -9.880 1.00 0.00 C ATOM 229 O LYS A 438 -1.797 -0.295 -9.820 1.00 0.00 O ATOM 230 CB LYS A 438 0.928 -0.245 -11.027 1.00 0.00 C ATOM 231 CG LYS A 438 2.410 0.088 -11.001 1.00 0.00 C ATOM 232 CD LYS A 438 3.228 -0.948 -11.753 1.00 0.00 C ATOM 233 CE LYS A 438 4.483 -0.337 -12.357 1.00 0.00 C ATOM 234 NZ LYS A 438 4.163 0.598 -13.471 1.00 0.00 N ATOM 0 H LYS A 438 1.644 -2.592 -10.706 1.00 0.00 H new ATOM 0 HA LYS A 438 0.730 -0.574 -8.913 1.00 0.00 H new ATOM 0 HB2 LYS A 438 0.700 -0.779 -11.950 1.00 0.00 H new ATOM 0 HB3 LYS A 438 0.356 0.683 -11.046 1.00 0.00 H new ATOM 0 HG2 LYS A 438 2.571 1.071 -11.444 1.00 0.00 H new ATOM 0 HG3 LYS A 438 2.753 0.144 -9.968 1.00 0.00 H new ATOM 0 HD2 LYS A 438 3.505 -1.756 -11.076 1.00 0.00 H new ATOM 0 HD3 LYS A 438 2.620 -1.389 -12.543 1.00 0.00 H new ATOM 0 HE2 LYS A 438 5.036 0.195 -11.583 1.00 0.00 H new ATOM 0 HE3 LYS A 438 5.133 -1.131 -12.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 438 4.989 0.689 -14.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 438 3.357 0.228 -14.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 438 3.918 1.531 -13.082 1.00 0.00 H new ATOM 248 N PHE A 439 -1.487 -2.517 -9.984 1.00 0.00 N ATOM 249 CA PHE A 439 -2.912 -2.823 -10.036 1.00 0.00 C ATOM 250 C PHE A 439 -3.378 -3.461 -8.730 1.00 0.00 C ATOM 251 O PHE A 439 -4.431 -3.111 -8.197 1.00 0.00 O ATOM 252 CB PHE A 439 -3.213 -3.757 -11.209 1.00 0.00 C ATOM 253 CG PHE A 439 -3.268 -3.054 -12.536 1.00 0.00 C ATOM 254 CD1 PHE A 439 -2.116 -2.856 -13.279 1.00 0.00 C ATOM 255 CD2 PHE A 439 -4.474 -2.593 -13.040 1.00 0.00 C ATOM 256 CE1 PHE A 439 -2.165 -2.209 -14.499 1.00 0.00 C ATOM 257 CE2 PHE A 439 -4.529 -1.945 -14.260 1.00 0.00 C ATOM 258 CZ PHE A 439 -3.373 -1.754 -14.991 1.00 0.00 C ATOM 0 H PHE A 439 -0.878 -3.334 -10.034 1.00 0.00 H new ATOM 0 HA PHE A 439 -3.454 -1.888 -10.178 1.00 0.00 H new ATOM 0 HB2 PHE A 439 -2.450 -4.534 -11.250 1.00 0.00 H new ATOM 0 HB3 PHE A 439 -4.166 -4.255 -11.031 1.00 0.00 H new ATOM 0 HD1 PHE A 439 -1.169 -3.211 -12.901 1.00 0.00 H new ATOM 0 HD2 PHE A 439 -5.381 -2.742 -12.473 1.00 0.00 H new ATOM 0 HE1 PHE A 439 -1.259 -2.059 -15.068 1.00 0.00 H new ATOM 0 HE2 PHE A 439 -5.475 -1.589 -14.641 1.00 0.00 H new ATOM 0 HZ PHE A 439 -3.413 -1.250 -15.945 1.00 0.00 H new ATOM 268 N TYR A 440 -2.588 -4.401 -8.223 1.00 0.00 N ATOM 269 CA TYR A 440 -2.920 -5.091 -6.982 1.00 0.00 C ATOM 270 C TYR A 440 -3.232 -4.093 -5.871 1.00 0.00 C ATOM 271 O TYR A 440 -4.133 -4.312 -5.061 1.00 0.00 O ATOM 272 CB TYR A 440 -1.768 -6.002 -6.557 1.00 0.00 C ATOM 273 CG TYR A 440 -2.138 -6.973 -5.458 1.00 0.00 C ATOM 274 CD1 TYR A 440 -2.142 -6.577 -4.126 1.00 0.00 C ATOM 275 CD2 TYR A 440 -2.484 -8.286 -5.752 1.00 0.00 C ATOM 276 CE1 TYR A 440 -2.478 -7.461 -3.119 1.00 0.00 C ATOM 277 CE2 TYR A 440 -2.823 -9.176 -4.751 1.00 0.00 C ATOM 278 CZ TYR A 440 -2.818 -8.759 -3.437 1.00 0.00 C ATOM 279 OH TYR A 440 -3.155 -9.642 -2.437 1.00 0.00 O ATOM 0 H TYR A 440 -1.713 -4.703 -8.652 1.00 0.00 H new ATOM 0 HA TYR A 440 -3.808 -5.698 -7.159 1.00 0.00 H new ATOM 0 HB2 TYR A 440 -1.421 -6.563 -7.424 1.00 0.00 H new ATOM 0 HB3 TYR A 440 -0.934 -5.386 -6.221 1.00 0.00 H new ATOM 0 HD1 TYR A 440 -1.878 -5.561 -3.874 1.00 0.00 H new ATOM 0 HD2 TYR A 440 -2.488 -8.617 -6.780 1.00 0.00 H new ATOM 0 HE1 TYR A 440 -2.474 -7.137 -2.089 1.00 0.00 H new ATOM 0 HE2 TYR A 440 -3.091 -10.193 -4.997 1.00 0.00 H new ATOM 0 HH TYR A 440 -2.606 -9.464 -1.645 1.00 0.00 H new ATOM 289 N ILE A 441 -2.480 -2.998 -5.839 1.00 0.00 N ATOM 290 CA ILE A 441 -2.676 -1.966 -4.829 1.00 0.00 C ATOM 291 C ILE A 441 -4.159 -1.739 -4.556 1.00 0.00 C ATOM 292 O ILE A 441 -4.559 -1.469 -3.423 1.00 0.00 O ATOM 293 CB ILE A 441 -2.034 -0.632 -5.255 1.00 0.00 C ATOM 294 CG1 ILE A 441 -0.535 -0.818 -5.499 1.00 0.00 C ATOM 295 CG2 ILE A 441 -2.277 0.434 -4.197 1.00 0.00 C ATOM 296 CD1 ILE A 441 0.109 0.348 -6.215 1.00 0.00 C ATOM 0 H ILE A 441 -1.729 -2.803 -6.501 1.00 0.00 H new ATOM 0 HA ILE A 441 -2.191 -2.319 -3.919 1.00 0.00 H new ATOM 0 HB ILE A 441 -2.496 -0.303 -6.186 1.00 0.00 H new ATOM 0 HG12 ILE A 441 -0.035 -0.967 -4.542 1.00 0.00 H new ATOM 0 HG13 ILE A 441 -0.380 -1.724 -6.085 1.00 0.00 H new ATOM 0 HG21 ILE A 441 -1.817 1.371 -4.512 1.00 0.00 H new ATOM 0 HG22 ILE A 441 -3.349 0.581 -4.068 1.00 0.00 H new ATOM 0 HG23 ILE A 441 -1.838 0.115 -3.252 1.00 0.00 H new ATOM 0 HD11 ILE A 441 1.171 0.148 -6.354 1.00 0.00 H new ATOM 0 HD12 ILE A 441 -0.365 0.485 -7.187 1.00 0.00 H new ATOM 0 HD13 ILE A 441 -0.015 1.253 -5.621 1.00 0.00 H new ATOM 308 N THR A 442 -4.972 -1.853 -5.602 1.00 0.00 N ATOM 309 CA THR A 442 -6.411 -1.661 -5.475 1.00 0.00 C ATOM 310 C THR A 442 -7.139 -2.998 -5.396 1.00 0.00 C ATOM 311 O THR A 442 -8.181 -3.112 -4.752 1.00 0.00 O ATOM 312 CB THR A 442 -6.976 -0.851 -6.657 1.00 0.00 C ATOM 313 OG1 THR A 442 -6.668 -1.506 -7.892 1.00 0.00 O ATOM 314 CG2 THR A 442 -6.404 0.559 -6.669 1.00 0.00 C ATOM 0 H THR A 442 -4.658 -2.077 -6.546 1.00 0.00 H new ATOM 0 HA THR A 442 -6.576 -1.106 -4.552 1.00 0.00 H new ATOM 0 HB THR A 442 -8.058 -0.787 -6.540 1.00 0.00 H new ATOM 0 HG1 THR A 442 -5.937 -2.143 -7.751 1.00 0.00 H new ATOM 0 HG21 THR A 442 -6.817 1.112 -7.512 1.00 0.00 H new ATOM 0 HG22 THR A 442 -6.665 1.065 -5.740 1.00 0.00 H new ATOM 0 HG23 THR A 442 -5.319 0.511 -6.763 1.00 0.00 H new ATOM 322 N GLY A 443 -6.584 -4.010 -6.057 1.00 0.00 N ATOM 323 CA GLY A 443 -7.194 -5.326 -6.048 1.00 0.00 C ATOM 324 C GLY A 443 -7.721 -5.730 -7.411 1.00 0.00 C ATOM 325 O GLY A 443 -8.202 -6.849 -7.592 1.00 0.00 O ATOM 0 H GLY A 443 -5.722 -3.941 -6.599 1.00 0.00 H new ATOM 0 HA2 GLY A 443 -6.462 -6.060 -5.713 1.00 0.00 H new ATOM 0 HA3 GLY A 443 -8.012 -5.339 -5.327 1.00 0.00 H new ATOM 329 N PHE A 444 -7.634 -4.816 -8.372 1.00 0.00 N ATOM 330 CA PHE A 444 -8.109 -5.082 -9.725 1.00 0.00 C ATOM 331 C PHE A 444 -6.947 -5.434 -10.650 1.00 0.00 C ATOM 332 O PHE A 444 -6.397 -4.569 -11.331 1.00 0.00 O ATOM 333 CB PHE A 444 -8.861 -3.866 -10.272 1.00 0.00 C ATOM 334 CG PHE A 444 -8.942 -3.837 -11.771 1.00 0.00 C ATOM 335 CD1 PHE A 444 -9.586 -4.850 -12.463 1.00 0.00 C ATOM 336 CD2 PHE A 444 -8.375 -2.796 -12.489 1.00 0.00 C ATOM 337 CE1 PHE A 444 -9.663 -4.826 -13.843 1.00 0.00 C ATOM 338 CE2 PHE A 444 -8.449 -2.767 -13.869 1.00 0.00 C ATOM 339 CZ PHE A 444 -9.093 -3.784 -14.547 1.00 0.00 C ATOM 0 H PHE A 444 -7.239 -3.885 -8.239 1.00 0.00 H new ATOM 0 HA PHE A 444 -8.789 -5.933 -9.684 1.00 0.00 H new ATOM 0 HB2 PHE A 444 -9.871 -3.858 -9.861 1.00 0.00 H new ATOM 0 HB3 PHE A 444 -8.368 -2.958 -9.925 1.00 0.00 H new ATOM 0 HD1 PHE A 444 -10.033 -5.668 -11.918 1.00 0.00 H new ATOM 0 HD2 PHE A 444 -7.870 -1.999 -11.964 1.00 0.00 H new ATOM 0 HE1 PHE A 444 -10.169 -5.622 -14.370 1.00 0.00 H new ATOM 0 HE2 PHE A 444 -8.004 -1.950 -14.417 1.00 0.00 H new ATOM 0 HZ PHE A 444 -9.150 -3.764 -15.625 1.00 0.00 H new ATOM 349 N CYS A 445 -6.579 -6.711 -10.667 1.00 0.00 N ATOM 350 CA CYS A 445 -5.483 -7.179 -11.506 1.00 0.00 C ATOM 351 C CYS A 445 -5.962 -8.257 -12.475 1.00 0.00 C ATOM 352 O CYS A 445 -6.148 -9.412 -12.093 1.00 0.00 O ATOM 353 CB CYS A 445 -4.347 -7.726 -10.639 1.00 0.00 C ATOM 354 SG CYS A 445 -2.927 -8.361 -11.588 1.00 0.00 S ATOM 0 H CYS A 445 -7.024 -7.440 -10.109 1.00 0.00 H new ATOM 0 HA CYS A 445 -5.114 -6.332 -12.085 1.00 0.00 H new ATOM 0 HB2 CYS A 445 -4.001 -6.936 -9.972 1.00 0.00 H new ATOM 0 HB3 CYS A 445 -4.737 -8.526 -10.010 1.00 0.00 H new ATOM 0 HG CYS A 445 -3.149 -9.596 -11.926 1.00 0.00 H new ATOM 359 N ALA A 446 -6.159 -7.870 -13.731 1.00 0.00 N ATOM 360 CA ALA A 446 -6.614 -8.802 -14.755 1.00 0.00 C ATOM 361 C ALA A 446 -5.934 -10.158 -14.604 1.00 0.00 C ATOM 362 O ALA A 446 -6.571 -11.145 -14.234 1.00 0.00 O ATOM 363 CB ALA A 446 -6.354 -8.231 -16.141 1.00 0.00 C ATOM 0 H ALA A 446 -6.011 -6.917 -14.064 1.00 0.00 H new ATOM 0 HA ALA A 446 -7.687 -8.947 -14.629 1.00 0.00 H new ATOM 0 HB1 ALA A 446 -6.699 -8.937 -16.896 1.00 0.00 H new ATOM 0 HB2 ALA A 446 -6.891 -7.289 -16.253 1.00 0.00 H new ATOM 0 HB3 ALA A 446 -5.286 -8.057 -16.268 1.00 0.00 H new ATOM 369 N ARG A 447 -4.638 -10.201 -14.892 1.00 0.00 N ATOM 370 CA ARG A 447 -3.872 -11.437 -14.789 1.00 0.00 C ATOM 371 C ARG A 447 -3.548 -11.757 -13.333 1.00 0.00 C ATOM 372 O ARG A 447 -2.673 -11.135 -12.731 1.00 0.00 O ATOM 373 CB ARG A 447 -2.579 -11.330 -15.599 1.00 0.00 C ATOM 374 CG ARG A 447 -2.801 -11.312 -17.103 1.00 0.00 C ATOM 375 CD ARG A 447 -1.484 -11.363 -17.862 1.00 0.00 C ATOM 376 NE ARG A 447 -1.687 -11.464 -19.304 1.00 0.00 N ATOM 377 CZ ARG A 447 -1.935 -10.419 -20.087 1.00 0.00 C ATOM 378 NH1 ARG A 447 -2.010 -9.201 -19.568 1.00 0.00 N ATOM 379 NH2 ARG A 447 -2.109 -10.592 -21.391 1.00 0.00 N ATOM 0 H ARG A 447 -4.096 -9.393 -15.199 1.00 0.00 H new ATOM 0 HA ARG A 447 -4.480 -12.246 -15.194 1.00 0.00 H new ATOM 0 HB2 ARG A 447 -2.052 -10.422 -15.307 1.00 0.00 H new ATOM 0 HB3 ARG A 447 -1.931 -12.169 -15.346 1.00 0.00 H new ATOM 0 HG2 ARG A 447 -3.421 -12.161 -17.390 1.00 0.00 H new ATOM 0 HG3 ARG A 447 -3.347 -10.410 -17.380 1.00 0.00 H new ATOM 0 HD2 ARG A 447 -0.903 -10.468 -17.640 1.00 0.00 H new ATOM 0 HD3 ARG A 447 -0.900 -12.216 -17.518 1.00 0.00 H new ATOM 0 HE ARG A 447 -1.636 -12.387 -19.734 1.00 0.00 H new ATOM 0 HH11 ARG A 447 -1.877 -9.065 -18.566 1.00 0.00 H new ATOM 0 HH12 ARG A 447 -2.200 -8.401 -20.171 1.00 0.00 H new ATOM 0 HH21 ARG A 447 -2.053 -11.528 -21.793 1.00 0.00 H new ATOM 0 HH22 ARG A 447 -2.299 -9.789 -21.991 1.00 0.00 H new ATOM 393 N ALA A 448 -4.259 -12.730 -12.774 1.00 0.00 N ATOM 394 CA ALA A 448 -4.047 -13.133 -11.389 1.00 0.00 C ATOM 395 C ALA A 448 -2.850 -14.070 -11.268 1.00 0.00 C ATOM 396 O ALA A 448 -1.784 -13.672 -10.800 1.00 0.00 O ATOM 397 CB ALA A 448 -5.298 -13.797 -10.834 1.00 0.00 C ATOM 0 H ALA A 448 -4.987 -13.254 -13.259 1.00 0.00 H new ATOM 0 HA ALA A 448 -3.836 -12.238 -10.804 1.00 0.00 H new ATOM 0 HB1 ALA A 448 -5.125 -14.092 -9.799 1.00 0.00 H new ATOM 0 HB2 ALA A 448 -6.131 -13.096 -10.876 1.00 0.00 H new ATOM 0 HB3 ALA A 448 -5.536 -14.679 -11.428 1.00 0.00 H new ATOM 403 N GLU A 449 -3.034 -15.316 -11.692 1.00 0.00 N ATOM 404 CA GLU A 449 -1.969 -16.309 -11.629 1.00 0.00 C ATOM 405 C GLU A 449 -1.021 -16.168 -12.816 1.00 0.00 C ATOM 406 O GLU A 449 -0.315 -17.108 -13.176 1.00 0.00 O ATOM 407 CB GLU A 449 -2.559 -17.721 -11.599 1.00 0.00 C ATOM 408 CG GLU A 449 -3.138 -18.167 -12.931 1.00 0.00 C ATOM 409 CD GLU A 449 -3.510 -19.637 -12.942 1.00 0.00 C ATOM 410 OE1 GLU A 449 -3.831 -20.177 -11.862 1.00 0.00 O ATOM 411 OE2 GLU A 449 -3.482 -20.247 -14.031 1.00 0.00 O ATOM 0 H GLU A 449 -3.911 -15.662 -12.083 1.00 0.00 H new ATOM 0 HA GLU A 449 -1.404 -16.139 -10.713 1.00 0.00 H new ATOM 0 HB2 GLU A 449 -1.783 -18.424 -11.296 1.00 0.00 H new ATOM 0 HB3 GLU A 449 -3.340 -17.763 -10.840 1.00 0.00 H new ATOM 0 HG2 GLU A 449 -4.022 -17.571 -13.157 1.00 0.00 H new ATOM 0 HG3 GLU A 449 -2.413 -17.974 -13.721 1.00 0.00 H new ATOM 418 N ASN A 450 -1.014 -14.984 -13.421 1.00 0.00 N ATOM 419 CA ASN A 450 -0.154 -14.718 -14.569 1.00 0.00 C ATOM 420 C ASN A 450 0.654 -13.441 -14.360 1.00 0.00 C ATOM 421 O ASN A 450 1.500 -13.087 -15.182 1.00 0.00 O ATOM 422 CB ASN A 450 -0.993 -14.601 -15.844 1.00 0.00 C ATOM 423 CG ASN A 450 -1.259 -15.948 -16.487 1.00 0.00 C ATOM 424 OD1 ASN A 450 -0.335 -16.629 -16.932 1.00 0.00 O ATOM 425 ND2 ASN A 450 -2.527 -16.339 -16.539 1.00 0.00 N ATOM 0 H ASN A 450 -1.593 -14.195 -13.136 1.00 0.00 H new ATOM 0 HA ASN A 450 0.540 -15.552 -14.673 1.00 0.00 H new ATOM 0 HB2 ASN A 450 -1.942 -14.120 -15.608 1.00 0.00 H new ATOM 0 HB3 ASN A 450 -0.478 -13.957 -16.557 1.00 0.00 H new ATOM 0 HD21 ASN A 450 -2.767 -17.236 -16.960 1.00 0.00 H new ATOM 0 HD22 ASN A 450 -3.261 -15.742 -16.158 1.00 0.00 H new ATOM 432 N CYS A 451 0.389 -12.755 -13.253 1.00 0.00 N ATOM 433 CA CYS A 451 1.091 -11.518 -12.934 1.00 0.00 C ATOM 434 C CYS A 451 2.542 -11.798 -12.553 1.00 0.00 C ATOM 435 O CYS A 451 2.834 -12.388 -11.513 1.00 0.00 O ATOM 436 CB CYS A 451 0.384 -10.786 -11.790 1.00 0.00 C ATOM 437 SG CYS A 451 1.006 -9.101 -11.489 1.00 0.00 S ATOM 0 H CYS A 451 -0.307 -13.035 -12.562 1.00 0.00 H new ATOM 0 HA CYS A 451 1.082 -10.886 -13.822 1.00 0.00 H new ATOM 0 HB2 CYS A 451 -0.682 -10.734 -12.010 1.00 0.00 H new ATOM 0 HB3 CYS A 451 0.493 -11.371 -10.877 1.00 0.00 H new ATOM 0 HG CYS A 451 0.584 -8.683 -10.332 1.00 0.00 H new ATOM 442 N PRO A 452 3.474 -11.365 -13.415 1.00 0.00 N ATOM 443 CA PRO A 452 4.910 -11.557 -13.191 1.00 0.00 C ATOM 444 C PRO A 452 5.436 -10.704 -12.041 1.00 0.00 C ATOM 445 O PRO A 452 6.631 -10.711 -11.747 1.00 0.00 O ATOM 446 CB PRO A 452 5.537 -11.115 -14.515 1.00 0.00 C ATOM 447 CG PRO A 452 4.553 -10.164 -15.103 1.00 0.00 C ATOM 448 CD PRO A 452 3.197 -10.654 -14.675 1.00 0.00 C ATOM 0 HA PRO A 452 5.146 -12.584 -12.914 1.00 0.00 H new ATOM 0 HB2 PRO A 452 6.503 -10.636 -14.355 1.00 0.00 H new ATOM 0 HB3 PRO A 452 5.708 -11.965 -15.175 1.00 0.00 H new ATOM 0 HG2 PRO A 452 4.731 -9.149 -14.748 1.00 0.00 H new ATOM 0 HG3 PRO A 452 4.634 -10.140 -16.190 1.00 0.00 H new ATOM 0 HD2 PRO A 452 2.500 -9.829 -14.526 1.00 0.00 H new ATOM 0 HD3 PRO A 452 2.755 -11.315 -15.421 1.00 0.00 H new ATOM 456 N TYR A 453 4.537 -9.971 -11.395 1.00 0.00 N ATOM 457 CA TYR A 453 4.911 -9.111 -10.279 1.00 0.00 C ATOM 458 C TYR A 453 4.569 -9.769 -8.945 1.00 0.00 C ATOM 459 O TYR A 453 4.001 -10.860 -8.907 1.00 0.00 O ATOM 460 CB TYR A 453 4.204 -7.759 -10.389 1.00 0.00 C ATOM 461 CG TYR A 453 4.648 -6.938 -11.578 1.00 0.00 C ATOM 462 CD1 TYR A 453 4.236 -7.263 -12.864 1.00 0.00 C ATOM 463 CD2 TYR A 453 5.482 -5.839 -11.415 1.00 0.00 C ATOM 464 CE1 TYR A 453 4.640 -6.516 -13.954 1.00 0.00 C ATOM 465 CE2 TYR A 453 5.890 -5.085 -12.499 1.00 0.00 C ATOM 466 CZ TYR A 453 5.466 -5.428 -13.766 1.00 0.00 C ATOM 467 OH TYR A 453 5.872 -4.681 -14.848 1.00 0.00 O ATOM 0 H TYR A 453 3.543 -9.955 -11.625 1.00 0.00 H new ATOM 0 HA TYR A 453 5.989 -8.954 -10.321 1.00 0.00 H new ATOM 0 HB2 TYR A 453 3.129 -7.925 -10.454 1.00 0.00 H new ATOM 0 HB3 TYR A 453 4.384 -7.189 -9.477 1.00 0.00 H new ATOM 0 HD1 TYR A 453 3.589 -8.114 -13.015 1.00 0.00 H new ATOM 0 HD2 TYR A 453 5.817 -5.569 -10.424 1.00 0.00 H new ATOM 0 HE1 TYR A 453 4.311 -6.783 -14.947 1.00 0.00 H new ATOM 0 HE2 TYR A 453 6.537 -4.232 -12.355 1.00 0.00 H new ATOM 0 HH TYR A 453 6.227 -5.276 -15.542 1.00 0.00 H new ATOM 477 N MET A 454 4.921 -9.098 -7.854 1.00 0.00 N ATOM 478 CA MET A 454 4.650 -9.616 -6.518 1.00 0.00 C ATOM 479 C MET A 454 3.297 -9.128 -6.010 1.00 0.00 C ATOM 480 O MET A 454 2.903 -7.989 -6.259 1.00 0.00 O ATOM 481 CB MET A 454 5.755 -9.190 -5.549 1.00 0.00 C ATOM 482 CG MET A 454 7.063 -9.937 -5.753 1.00 0.00 C ATOM 483 SD MET A 454 7.067 -11.559 -4.966 1.00 0.00 S ATOM 484 CE MET A 454 7.812 -11.166 -3.385 1.00 0.00 C ATOM 0 H MET A 454 5.394 -8.195 -7.868 1.00 0.00 H new ATOM 0 HA MET A 454 4.626 -10.704 -6.575 1.00 0.00 H new ATOM 0 HB2 MET A 454 5.935 -8.121 -5.663 1.00 0.00 H new ATOM 0 HB3 MET A 454 5.411 -9.348 -4.527 1.00 0.00 H new ATOM 0 HG2 MET A 454 7.247 -10.055 -6.821 1.00 0.00 H new ATOM 0 HG3 MET A 454 7.883 -9.341 -5.353 1.00 0.00 H new ATOM 0 HE1 MET A 454 8.207 -12.076 -2.933 1.00 0.00 H new ATOM 0 HE2 MET A 454 8.623 -10.453 -3.532 1.00 0.00 H new ATOM 0 HE3 MET A 454 7.060 -10.730 -2.727 1.00 0.00 H new ATOM 494 N HIS A 455 2.589 -9.999 -5.297 1.00 0.00 N ATOM 495 CA HIS A 455 1.279 -9.656 -4.753 1.00 0.00 C ATOM 496 C HIS A 455 1.273 -9.778 -3.233 1.00 0.00 C ATOM 497 O HIS A 455 1.311 -8.777 -2.519 1.00 0.00 O ATOM 498 CB HIS A 455 0.203 -10.561 -5.354 1.00 0.00 C ATOM 499 CG HIS A 455 -0.259 -10.123 -6.710 1.00 0.00 C ATOM 500 ND1 HIS A 455 -1.431 -10.568 -7.286 1.00 0.00 N ATOM 501 CD2 HIS A 455 0.299 -9.275 -7.604 1.00 0.00 C ATOM 502 CE1 HIS A 455 -1.572 -10.014 -8.476 1.00 0.00 C ATOM 503 NE2 HIS A 455 -0.535 -9.224 -8.693 1.00 0.00 N ATOM 0 H HIS A 455 2.900 -10.946 -5.083 1.00 0.00 H new ATOM 0 HA HIS A 455 1.062 -8.621 -5.017 1.00 0.00 H new ATOM 0 HB2 HIS A 455 0.591 -11.577 -5.422 1.00 0.00 H new ATOM 0 HB3 HIS A 455 -0.653 -10.591 -4.680 1.00 0.00 H new ATOM 0 HD1 HIS A 455 -2.086 -11.223 -6.859 1.00 0.00 H new ATOM 0 HD2 HIS A 455 1.228 -8.738 -7.483 1.00 0.00 H new ATOM 0 HE1 HIS A 455 -2.395 -10.178 -9.156 1.00 0.00 H new ATOM 511 N GLY A 456 1.225 -11.014 -2.743 1.00 0.00 N ATOM 512 CA GLY A 456 1.213 -11.244 -1.310 1.00 0.00 C ATOM 513 C GLY A 456 2.598 -11.159 -0.698 1.00 0.00 C ATOM 514 O GLY A 456 2.873 -10.274 0.112 1.00 0.00 O ATOM 0 H GLY A 456 1.194 -11.859 -3.313 1.00 0.00 H new ATOM 0 HA2 GLY A 456 0.563 -10.511 -0.833 1.00 0.00 H new ATOM 0 HA3 GLY A 456 0.789 -12.227 -1.106 1.00 0.00 H new ATOM 518 N ASP A 457 3.471 -12.083 -1.085 1.00 0.00 N ATOM 519 CA ASP A 457 4.834 -12.109 -0.569 1.00 0.00 C ATOM 520 C ASP A 457 5.331 -10.698 -0.273 1.00 0.00 C ATOM 521 O ASP A 457 5.882 -10.434 0.796 1.00 0.00 O ATOM 522 CB ASP A 457 5.768 -12.793 -1.569 1.00 0.00 C ATOM 523 CG ASP A 457 5.637 -14.303 -1.545 1.00 0.00 C ATOM 524 OD1 ASP A 457 4.603 -14.816 -2.020 1.00 0.00 O ATOM 525 OD2 ASP A 457 6.568 -14.972 -1.049 1.00 0.00 O ATOM 0 H ASP A 457 3.259 -12.823 -1.754 1.00 0.00 H new ATOM 0 HA ASP A 457 4.832 -12.676 0.362 1.00 0.00 H new ATOM 0 HB2 ASP A 457 5.550 -12.428 -2.573 1.00 0.00 H new ATOM 0 HB3 ASP A 457 6.799 -12.517 -1.346 1.00 0.00 H new ATOM 530 N PHE A 458 5.133 -9.794 -1.227 1.00 0.00 N ATOM 531 CA PHE A 458 5.563 -8.410 -1.070 1.00 0.00 C ATOM 532 C PHE A 458 5.164 -7.869 0.300 1.00 0.00 C ATOM 533 O PHE A 458 3.991 -7.860 0.674 1.00 0.00 O ATOM 534 CB PHE A 458 4.958 -7.537 -2.172 1.00 0.00 C ATOM 535 CG PHE A 458 5.669 -6.228 -2.358 1.00 0.00 C ATOM 536 CD1 PHE A 458 6.941 -6.186 -2.905 1.00 0.00 C ATOM 537 CD2 PHE A 458 5.065 -5.037 -1.986 1.00 0.00 C ATOM 538 CE1 PHE A 458 7.598 -4.982 -3.076 1.00 0.00 C ATOM 539 CE2 PHE A 458 5.717 -3.830 -2.155 1.00 0.00 C ATOM 540 CZ PHE A 458 6.984 -3.803 -2.702 1.00 0.00 C ATOM 0 H PHE A 458 4.677 -9.996 -2.117 1.00 0.00 H new ATOM 0 HA PHE A 458 6.650 -8.382 -1.150 1.00 0.00 H new ATOM 0 HB2 PHE A 458 4.977 -8.088 -3.112 1.00 0.00 H new ATOM 0 HB3 PHE A 458 3.912 -7.343 -1.937 1.00 0.00 H new ATOM 0 HD1 PHE A 458 7.425 -7.105 -3.201 1.00 0.00 H new ATOM 0 HD2 PHE A 458 4.073 -5.052 -1.559 1.00 0.00 H new ATOM 0 HE1 PHE A 458 8.590 -4.963 -3.502 1.00 0.00 H new ATOM 0 HE2 PHE A 458 5.236 -2.909 -1.859 1.00 0.00 H new ATOM 0 HZ PHE A 458 7.495 -2.861 -2.837 1.00 0.00 H new ATOM 550 N PRO A 459 6.163 -7.406 1.067 1.00 0.00 N ATOM 551 CA PRO A 459 5.941 -6.855 2.407 1.00 0.00 C ATOM 552 C PRO A 459 5.218 -5.513 2.369 1.00 0.00 C ATOM 553 O PRO A 459 5.441 -4.701 1.471 1.00 0.00 O ATOM 554 CB PRO A 459 7.359 -6.683 2.958 1.00 0.00 C ATOM 555 CG PRO A 459 8.220 -6.537 1.751 1.00 0.00 C ATOM 556 CD PRO A 459 7.585 -7.386 0.684 1.00 0.00 C ATOM 0 HA PRO A 459 5.308 -7.502 3.015 1.00 0.00 H new ATOM 0 HB2 PRO A 459 7.429 -5.807 3.603 1.00 0.00 H new ATOM 0 HB3 PRO A 459 7.658 -7.544 3.556 1.00 0.00 H new ATOM 0 HG2 PRO A 459 8.278 -5.495 1.437 1.00 0.00 H new ATOM 0 HG3 PRO A 459 9.239 -6.866 1.956 1.00 0.00 H new ATOM 0 HD2 PRO A 459 7.728 -6.958 -0.308 1.00 0.00 H new ATOM 0 HD3 PRO A 459 8.010 -8.390 0.663 1.00 0.00 H new ATOM 564 N CYS A 460 4.351 -5.286 3.350 1.00 0.00 N ATOM 565 CA CYS A 460 3.594 -4.043 3.430 1.00 0.00 C ATOM 566 C CYS A 460 4.521 -2.857 3.685 1.00 0.00 C ATOM 567 O CYS A 460 5.419 -2.926 4.524 1.00 0.00 O ATOM 568 CB CYS A 460 2.544 -4.131 4.539 1.00 0.00 C ATOM 569 SG CYS A 460 1.230 -2.874 4.420 1.00 0.00 S ATOM 0 H CYS A 460 4.155 -5.948 4.101 1.00 0.00 H new ATOM 0 HA CYS A 460 3.092 -3.891 2.475 1.00 0.00 H new ATOM 0 HB2 CYS A 460 2.088 -5.121 4.516 1.00 0.00 H new ATOM 0 HB3 CYS A 460 3.041 -4.032 5.504 1.00 0.00 H new ATOM 0 HG CYS A 460 0.252 -3.336 3.699 1.00 0.00 H new ATOM 574 N LYS A 461 4.296 -1.770 2.956 1.00 0.00 N ATOM 575 CA LYS A 461 5.108 -0.568 3.102 1.00 0.00 C ATOM 576 C LYS A 461 4.773 0.160 4.400 1.00 0.00 C ATOM 577 O LYS A 461 5.609 0.265 5.299 1.00 0.00 O ATOM 578 CB LYS A 461 4.892 0.367 1.910 1.00 0.00 C ATOM 579 CG LYS A 461 5.752 1.619 1.956 1.00 0.00 C ATOM 580 CD LYS A 461 6.114 2.097 0.560 1.00 0.00 C ATOM 581 CE LYS A 461 5.118 3.125 0.046 1.00 0.00 C ATOM 582 NZ LYS A 461 4.987 3.078 -1.437 1.00 0.00 N ATOM 0 H LYS A 461 3.557 -1.696 2.257 1.00 0.00 H new ATOM 0 HA LYS A 461 6.155 -0.869 3.134 1.00 0.00 H new ATOM 0 HB2 LYS A 461 5.105 -0.176 0.989 1.00 0.00 H new ATOM 0 HB3 LYS A 461 3.842 0.658 1.873 1.00 0.00 H new ATOM 0 HG2 LYS A 461 5.219 2.409 2.485 1.00 0.00 H new ATOM 0 HG3 LYS A 461 6.663 1.416 2.520 1.00 0.00 H new ATOM 0 HD2 LYS A 461 7.114 2.532 0.571 1.00 0.00 H new ATOM 0 HD3 LYS A 461 6.144 1.246 -0.121 1.00 0.00 H new ATOM 0 HE2 LYS A 461 4.144 2.947 0.502 1.00 0.00 H new ATOM 0 HE3 LYS A 461 5.435 4.122 0.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 4.299 3.794 -1.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 5.911 3.273 -1.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 4.660 2.134 -1.727 1.00 0.00 H new ATOM 596 N LEU A 462 3.546 0.660 4.493 1.00 0.00 N ATOM 597 CA LEU A 462 3.099 1.378 5.682 1.00 0.00 C ATOM 598 C LEU A 462 3.526 0.646 6.951 1.00 0.00 C ATOM 599 O LEU A 462 4.233 1.202 7.792 1.00 0.00 O ATOM 600 CB LEU A 462 1.579 1.542 5.662 1.00 0.00 C ATOM 601 CG LEU A 462 1.034 2.628 4.733 1.00 0.00 C ATOM 602 CD1 LEU A 462 -0.478 2.515 4.610 1.00 0.00 C ATOM 603 CD2 LEU A 462 1.429 4.008 5.236 1.00 0.00 C ATOM 0 H LEU A 462 2.842 0.582 3.759 1.00 0.00 H new ATOM 0 HA LEU A 462 3.564 2.364 5.678 1.00 0.00 H new ATOM 0 HB2 LEU A 462 1.134 0.589 5.375 1.00 0.00 H new ATOM 0 HB3 LEU A 462 1.243 1.757 6.676 1.00 0.00 H new ATOM 0 HG LEU A 462 1.470 2.486 3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 462 -0.848 3.296 3.945 1.00 0.00 H new ATOM 0 HD12 LEU A 462 -0.738 1.538 4.203 1.00 0.00 H new ATOM 0 HD13 LEU A 462 -0.933 2.630 5.594 1.00 0.00 H new ATOM 0 HD21 LEU A 462 1.033 4.768 4.563 1.00 0.00 H new ATOM 0 HD22 LEU A 462 1.022 4.161 6.236 1.00 0.00 H new ATOM 0 HD23 LEU A 462 2.516 4.085 5.271 1.00 0.00 H new ATOM 615 N TYR A 463 3.094 -0.603 7.081 1.00 0.00 N ATOM 616 CA TYR A 463 3.430 -1.410 8.248 1.00 0.00 C ATOM 617 C TYR A 463 4.872 -1.165 8.682 1.00 0.00 C ATOM 618 O TYR A 463 5.220 -1.343 9.850 1.00 0.00 O ATOM 619 CB TYR A 463 3.223 -2.895 7.943 1.00 0.00 C ATOM 620 CG TYR A 463 3.584 -3.806 9.095 1.00 0.00 C ATOM 621 CD1 TYR A 463 4.908 -4.140 9.353 1.00 0.00 C ATOM 622 CD2 TYR A 463 2.601 -4.332 9.924 1.00 0.00 C ATOM 623 CE1 TYR A 463 5.242 -4.972 10.404 1.00 0.00 C ATOM 624 CE2 TYR A 463 2.927 -5.164 10.978 1.00 0.00 C ATOM 625 CZ TYR A 463 4.248 -5.481 11.214 1.00 0.00 C ATOM 626 OH TYR A 463 4.576 -6.310 12.262 1.00 0.00 O ATOM 0 H TYR A 463 2.510 -1.079 6.393 1.00 0.00 H new ATOM 0 HA TYR A 463 2.769 -1.117 9.064 1.00 0.00 H new ATOM 0 HB2 TYR A 463 2.180 -3.060 7.673 1.00 0.00 H new ATOM 0 HB3 TYR A 463 3.823 -3.166 7.075 1.00 0.00 H new ATOM 0 HD1 TYR A 463 5.689 -3.743 8.721 1.00 0.00 H new ATOM 0 HD2 TYR A 463 1.565 -4.087 9.742 1.00 0.00 H new ATOM 0 HE1 TYR A 463 6.276 -5.223 10.591 1.00 0.00 H new ATOM 0 HE2 TYR A 463 2.151 -5.564 11.614 1.00 0.00 H new ATOM 0 HH TYR A 463 3.760 -6.580 12.733 1.00 0.00 H new ATOM 636 N HIS A 464 5.708 -0.755 7.733 1.00 0.00 N ATOM 637 CA HIS A 464 7.113 -0.484 8.016 1.00 0.00 C ATOM 638 C HIS A 464 7.357 1.015 8.165 1.00 0.00 C ATOM 639 O HIS A 464 7.882 1.471 9.181 1.00 0.00 O ATOM 640 CB HIS A 464 7.997 -1.049 6.904 1.00 0.00 C ATOM 641 CG HIS A 464 8.047 -2.546 6.881 1.00 0.00 C ATOM 642 ND1 HIS A 464 8.327 -3.307 7.996 1.00 0.00 N ATOM 643 CD2 HIS A 464 7.850 -3.422 5.869 1.00 0.00 C ATOM 644 CE1 HIS A 464 8.301 -4.587 7.671 1.00 0.00 C ATOM 645 NE2 HIS A 464 8.013 -4.684 6.385 1.00 0.00 N ATOM 0 H HIS A 464 5.437 -0.603 6.762 1.00 0.00 H new ATOM 0 HA HIS A 464 7.370 -0.971 8.956 1.00 0.00 H new ATOM 0 HB2 HIS A 464 7.630 -0.691 5.942 1.00 0.00 H new ATOM 0 HB3 HIS A 464 9.009 -0.662 7.023 1.00 0.00 H new ATOM 0 HD2 HIS A 464 7.609 -3.175 4.846 1.00 0.00 H new ATOM 0 HE1 HIS A 464 8.484 -5.413 8.342 1.00 0.00 H new ATOM 0 HE2 HIS A 464 7.926 -5.555 5.861 1.00 0.00 H new ATOM 653 N THR A 465 6.974 1.776 7.145 1.00 0.00 N ATOM 654 CA THR A 465 7.154 3.223 7.161 1.00 0.00 C ATOM 655 C THR A 465 7.018 3.777 8.574 1.00 0.00 C ATOM 656 O THR A 465 7.763 4.672 8.976 1.00 0.00 O ATOM 657 CB THR A 465 6.134 3.925 6.246 1.00 0.00 C ATOM 658 OG1 THR A 465 4.822 3.834 6.813 1.00 0.00 O ATOM 659 CG2 THR A 465 6.135 3.305 4.857 1.00 0.00 C ATOM 0 H THR A 465 6.537 1.415 6.297 1.00 0.00 H new ATOM 0 HA THR A 465 8.160 3.422 6.791 1.00 0.00 H new ATOM 0 HB THR A 465 6.420 4.973 6.159 1.00 0.00 H new ATOM 0 HG1 THR A 465 4.706 2.955 7.231 1.00 0.00 H new ATOM 0 HG21 THR A 465 5.406 3.818 4.229 1.00 0.00 H new ATOM 0 HG22 THR A 465 7.127 3.403 4.416 1.00 0.00 H new ATOM 0 HG23 THR A 465 5.872 2.250 4.929 1.00 0.00 H new ATOM 667 N THR A 466 6.063 3.240 9.327 1.00 0.00 N ATOM 668 CA THR A 466 5.829 3.682 10.696 1.00 0.00 C ATOM 669 C THR A 466 5.800 2.500 11.658 1.00 0.00 C ATOM 670 O THR A 466 6.297 2.587 12.780 1.00 0.00 O ATOM 671 CB THR A 466 4.506 4.461 10.817 1.00 0.00 C ATOM 672 OG1 THR A 466 3.407 3.620 10.447 1.00 0.00 O ATOM 673 CG2 THR A 466 4.523 5.699 9.933 1.00 0.00 C ATOM 0 H THR A 466 5.439 2.498 9.011 1.00 0.00 H new ATOM 0 HA THR A 466 6.655 4.342 10.960 1.00 0.00 H new ATOM 0 HB THR A 466 4.390 4.776 11.854 1.00 0.00 H new ATOM 0 HG1 THR A 466 2.569 4.122 10.528 1.00 0.00 H new ATOM 0 HG21 THR A 466 3.578 6.232 10.036 1.00 0.00 H new ATOM 0 HG22 THR A 466 5.342 6.351 10.236 1.00 0.00 H new ATOM 0 HG23 THR A 466 4.661 5.402 8.893 1.00 0.00 H new ATOM 681 N GLY A 467 5.214 1.393 11.211 1.00 0.00 N ATOM 682 CA GLY A 467 5.131 0.209 12.045 1.00 0.00 C ATOM 683 C GLY A 467 3.781 -0.474 11.951 1.00 0.00 C ATOM 684 O GLY A 467 3.697 -1.701 11.953 1.00 0.00 O ATOM 0 H GLY A 467 4.795 1.296 10.286 1.00 0.00 H new ATOM 0 HA2 GLY A 467 5.911 -0.493 11.752 1.00 0.00 H new ATOM 0 HA3 GLY A 467 5.324 0.485 13.082 1.00 0.00 H new ATOM 688 N ASN A 468 2.721 0.323 11.868 1.00 0.00 N ATOM 689 CA ASN A 468 1.367 -0.212 11.775 1.00 0.00 C ATOM 690 C ASN A 468 0.772 0.053 10.396 1.00 0.00 C ATOM 691 O ASN A 468 1.175 0.987 9.702 1.00 0.00 O ATOM 692 CB ASN A 468 0.477 0.406 12.855 1.00 0.00 C ATOM 693 CG ASN A 468 0.985 0.123 14.255 1.00 0.00 C ATOM 694 OD1 ASN A 468 1.500 1.013 14.933 1.00 0.00 O ATOM 695 ND2 ASN A 468 0.843 -1.122 14.696 1.00 0.00 N ATOM 0 H ASN A 468 2.773 1.342 11.863 1.00 0.00 H new ATOM 0 HA ASN A 468 1.417 -1.290 11.929 1.00 0.00 H new ATOM 0 HB2 ASN A 468 0.421 1.484 12.703 1.00 0.00 H new ATOM 0 HB3 ASN A 468 -0.536 0.017 12.754 1.00 0.00 H new ATOM 0 HD21 ASN A 468 1.167 -1.372 15.630 1.00 0.00 H new ATOM 0 HD22 ASN A 468 0.410 -1.828 14.100 1.00 0.00 H new ATOM 702 N CYS A 469 -0.191 -0.775 10.004 1.00 0.00 N ATOM 703 CA CYS A 469 -0.844 -0.631 8.709 1.00 0.00 C ATOM 704 C CYS A 469 -2.257 -0.077 8.870 1.00 0.00 C ATOM 705 O CYS A 469 -3.006 -0.505 9.747 1.00 0.00 O ATOM 706 CB CYS A 469 -0.893 -1.980 7.987 1.00 0.00 C ATOM 707 SG CYS A 469 -1.403 -1.870 6.241 1.00 0.00 S ATOM 0 H CYS A 469 -0.536 -1.553 10.566 1.00 0.00 H new ATOM 0 HA CYS A 469 -0.263 0.073 8.113 1.00 0.00 H new ATOM 0 HB2 CYS A 469 0.092 -2.444 8.038 1.00 0.00 H new ATOM 0 HB3 CYS A 469 -1.583 -2.638 8.515 1.00 0.00 H new ATOM 0 HG CYS A 469 -0.384 -2.124 5.475 1.00 0.00 H new ATOM 712 N ILE A 470 -2.612 0.878 8.016 1.00 0.00 N ATOM 713 CA ILE A 470 -3.934 1.490 8.063 1.00 0.00 C ATOM 714 C ILE A 470 -4.990 0.563 7.472 1.00 0.00 C ATOM 715 O ILE A 470 -6.167 0.643 7.821 1.00 0.00 O ATOM 716 CB ILE A 470 -3.961 2.830 7.304 1.00 0.00 C ATOM 717 CG1 ILE A 470 -5.282 3.559 7.559 1.00 0.00 C ATOM 718 CG2 ILE A 470 -3.756 2.599 5.814 1.00 0.00 C ATOM 719 CD1 ILE A 470 -5.341 4.248 8.904 1.00 0.00 C ATOM 0 H ILE A 470 -2.003 1.244 7.284 1.00 0.00 H new ATOM 0 HA ILE A 470 -4.160 1.672 9.114 1.00 0.00 H new ATOM 0 HB ILE A 470 -3.146 3.455 7.670 1.00 0.00 H new ATOM 0 HG12 ILE A 470 -5.437 4.299 6.774 1.00 0.00 H new ATOM 0 HG13 ILE A 470 -6.102 2.844 7.490 1.00 0.00 H new ATOM 0 HG21 ILE A 470 -3.778 3.555 5.291 1.00 0.00 H new ATOM 0 HG22 ILE A 470 -2.792 2.117 5.650 1.00 0.00 H new ATOM 0 HG23 ILE A 470 -4.551 1.959 5.432 1.00 0.00 H new ATOM 0 HD11 ILE A 470 -6.305 4.744 9.017 1.00 0.00 H new ATOM 0 HD12 ILE A 470 -5.218 3.510 9.697 1.00 0.00 H new ATOM 0 HD13 ILE A 470 -4.543 4.987 8.969 1.00 0.00 H new ATOM 731 N ASN A 471 -4.560 -0.319 6.575 1.00 0.00 N ATOM 732 CA ASN A 471 -5.469 -1.264 5.935 1.00 0.00 C ATOM 733 C ASN A 471 -6.207 -2.098 6.977 1.00 0.00 C ATOM 734 O ASN A 471 -7.396 -2.382 6.832 1.00 0.00 O ATOM 735 CB ASN A 471 -4.698 -2.181 4.983 1.00 0.00 C ATOM 736 CG ASN A 471 -4.088 -1.424 3.819 1.00 0.00 C ATOM 737 OD1 ASN A 471 -2.892 -1.135 3.811 1.00 0.00 O ATOM 738 ND2 ASN A 471 -4.911 -1.100 2.828 1.00 0.00 N ATOM 0 H ASN A 471 -3.588 -0.399 6.275 1.00 0.00 H new ATOM 0 HA ASN A 471 -6.203 -0.695 5.364 1.00 0.00 H new ATOM 0 HB2 ASN A 471 -3.909 -2.692 5.534 1.00 0.00 H new ATOM 0 HB3 ASN A 471 -5.369 -2.950 4.601 1.00 0.00 H new ATOM 0 HD21 ASN A 471 -4.558 -0.591 2.018 1.00 0.00 H new ATOM 0 HD22 ASN A 471 -5.896 -1.360 2.877 1.00 0.00 H new ATOM 745 N GLY A 472 -5.494 -2.489 8.029 1.00 0.00 N ATOM 746 CA GLY A 472 -6.097 -3.287 9.080 1.00 0.00 C ATOM 747 C GLY A 472 -5.585 -4.713 9.092 1.00 0.00 C ATOM 748 O GLY A 472 -4.529 -5.005 8.530 1.00 0.00 O ATOM 0 H GLY A 472 -4.509 -2.267 8.172 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -5.894 -2.823 10.045 1.00 0.00 H new ATOM 0 HA3 GLY A 472 -7.179 -3.294 8.951 1.00 0.00 H new ATOM 752 N ASP A 473 -6.332 -5.603 9.735 1.00 0.00 N ATOM 753 CA ASP A 473 -5.948 -7.007 9.818 1.00 0.00 C ATOM 754 C ASP A 473 -6.302 -7.746 8.531 1.00 0.00 C ATOM 755 O ASP A 473 -5.843 -8.864 8.299 1.00 0.00 O ATOM 756 CB ASP A 473 -6.634 -7.677 11.010 1.00 0.00 C ATOM 757 CG ASP A 473 -8.050 -7.176 11.219 1.00 0.00 C ATOM 758 OD1 ASP A 473 -8.930 -7.533 10.409 1.00 0.00 O ATOM 759 OD2 ASP A 473 -8.277 -6.427 12.192 1.00 0.00 O ATOM 0 H ASP A 473 -7.208 -5.377 10.207 1.00 0.00 H new ATOM 0 HA ASP A 473 -4.868 -7.054 9.957 1.00 0.00 H new ATOM 0 HB2 ASP A 473 -6.652 -8.756 10.856 1.00 0.00 H new ATOM 0 HB3 ASP A 473 -6.050 -7.494 11.912 1.00 0.00 H new ATOM 764 N ASP A 474 -7.122 -7.113 7.700 1.00 0.00 N ATOM 765 CA ASP A 474 -7.539 -7.710 6.436 1.00 0.00 C ATOM 766 C ASP A 474 -6.727 -7.145 5.274 1.00 0.00 C ATOM 767 O ASP A 474 -7.213 -7.062 4.146 1.00 0.00 O ATOM 768 CB ASP A 474 -9.030 -7.465 6.199 1.00 0.00 C ATOM 769 CG ASP A 474 -9.888 -7.967 7.343 1.00 0.00 C ATOM 770 OD1 ASP A 474 -9.898 -9.192 7.585 1.00 0.00 O ATOM 771 OD2 ASP A 474 -10.550 -7.134 7.998 1.00 0.00 O ATOM 0 H ASP A 474 -7.511 -6.187 7.878 1.00 0.00 H new ATOM 0 HA ASP A 474 -7.360 -8.784 6.493 1.00 0.00 H new ATOM 0 HB2 ASP A 474 -9.202 -6.398 6.061 1.00 0.00 H new ATOM 0 HB3 ASP A 474 -9.334 -7.959 5.276 1.00 0.00 H new ATOM 776 N CYS A 475 -5.489 -6.756 5.559 1.00 0.00 N ATOM 777 CA CYS A 475 -4.609 -6.197 4.539 1.00 0.00 C ATOM 778 C CYS A 475 -4.143 -7.279 3.570 1.00 0.00 C ATOM 779 O CYS A 475 -3.691 -8.346 3.986 1.00 0.00 O ATOM 780 CB CYS A 475 -3.400 -5.525 5.192 1.00 0.00 C ATOM 781 SG CYS A 475 -2.411 -4.504 4.053 1.00 0.00 S ATOM 0 H CYS A 475 -5.072 -6.817 6.488 1.00 0.00 H new ATOM 0 HA CYS A 475 -5.172 -5.451 3.978 1.00 0.00 H new ATOM 0 HB2 CYS A 475 -3.746 -4.900 6.015 1.00 0.00 H new ATOM 0 HB3 CYS A 475 -2.759 -6.294 5.623 1.00 0.00 H new ATOM 0 HG CYS A 475 -1.967 -3.457 4.683 1.00 0.00 H new ATOM 786 N MET A 476 -4.255 -6.996 2.277 1.00 0.00 N ATOM 787 CA MET A 476 -3.843 -7.945 1.249 1.00 0.00 C ATOM 788 C MET A 476 -2.334 -7.887 1.028 1.00 0.00 C ATOM 789 O MET A 476 -1.853 -8.069 -0.090 1.00 0.00 O ATOM 790 CB MET A 476 -4.573 -7.656 -0.064 1.00 0.00 C ATOM 791 CG MET A 476 -4.613 -6.180 -0.426 1.00 0.00 C ATOM 792 SD MET A 476 -2.995 -5.392 -0.306 1.00 0.00 S ATOM 793 CE MET A 476 -3.459 -3.747 0.229 1.00 0.00 C ATOM 0 H MET A 476 -4.627 -6.118 1.916 1.00 0.00 H new ATOM 0 HA MET A 476 -4.105 -8.947 1.589 1.00 0.00 H new ATOM 0 HB2 MET A 476 -4.086 -8.206 -0.869 1.00 0.00 H new ATOM 0 HB3 MET A 476 -5.594 -8.032 0.007 1.00 0.00 H new ATOM 0 HG2 MET A 476 -4.993 -6.069 -1.442 1.00 0.00 H new ATOM 0 HG3 MET A 476 -5.313 -5.667 0.234 1.00 0.00 H new ATOM 0 HE1 MET A 476 -3.169 -3.022 -0.531 1.00 0.00 H new ATOM 0 HE2 MET A 476 -4.538 -3.704 0.379 1.00 0.00 H new ATOM 0 HE3 MET A 476 -2.953 -3.513 1.166 1.00 0.00 H new ATOM 803 N PHE A 477 -1.594 -7.631 2.101 1.00 0.00 N ATOM 804 CA PHE A 477 -0.140 -7.548 2.025 1.00 0.00 C ATOM 805 C PHE A 477 0.511 -8.354 3.145 1.00 0.00 C ATOM 806 O PHE A 477 -0.093 -8.581 4.193 1.00 0.00 O ATOM 807 CB PHE A 477 0.313 -6.088 2.102 1.00 0.00 C ATOM 808 CG PHE A 477 0.169 -5.346 0.804 1.00 0.00 C ATOM 809 CD1 PHE A 477 0.604 -5.911 -0.384 1.00 0.00 C ATOM 810 CD2 PHE A 477 -0.402 -4.084 0.772 1.00 0.00 C ATOM 811 CE1 PHE A 477 0.473 -5.231 -1.581 1.00 0.00 C ATOM 812 CE2 PHE A 477 -0.536 -3.400 -0.422 1.00 0.00 C ATOM 813 CZ PHE A 477 -0.098 -3.973 -1.599 1.00 0.00 C ATOM 0 H PHE A 477 -1.977 -7.477 3.034 1.00 0.00 H new ATOM 0 HA PHE A 477 0.173 -7.969 1.070 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -0.267 -5.576 2.870 1.00 0.00 H new ATOM 0 HB3 PHE A 477 1.356 -6.056 2.416 1.00 0.00 H new ATOM 0 HD1 PHE A 477 1.051 -6.894 -0.375 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -0.746 -3.630 1.689 1.00 0.00 H new ATOM 0 HE1 PHE A 477 0.816 -5.682 -2.500 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -0.983 -2.417 -0.434 1.00 0.00 H new ATOM 0 HZ PHE A 477 -0.201 -3.439 -2.532 1.00 0.00 H new ATOM 823 N SER A 478 1.748 -8.784 2.914 1.00 0.00 N ATOM 824 CA SER A 478 2.480 -9.569 3.901 1.00 0.00 C ATOM 825 C SER A 478 3.077 -8.667 4.977 1.00 0.00 C ATOM 826 O SER A 478 3.769 -7.694 4.675 1.00 0.00 O ATOM 827 CB SER A 478 3.589 -10.375 3.222 1.00 0.00 C ATOM 828 OG SER A 478 3.084 -11.587 2.688 1.00 0.00 O ATOM 0 H SER A 478 2.263 -8.602 2.053 1.00 0.00 H new ATOM 0 HA SER A 478 1.779 -10.257 4.375 1.00 0.00 H new ATOM 0 HB2 SER A 478 4.038 -9.782 2.425 1.00 0.00 H new ATOM 0 HB3 SER A 478 4.378 -10.592 3.942 1.00 0.00 H new ATOM 0 HG SER A 478 2.756 -11.432 1.778 1.00 0.00 H new ATOM 834 N HIS A 479 2.805 -8.998 6.236 1.00 0.00 N ATOM 835 CA HIS A 479 3.316 -8.220 7.358 1.00 0.00 C ATOM 836 C HIS A 479 4.546 -8.887 7.967 1.00 0.00 C ATOM 837 O HIS A 479 4.954 -8.558 9.082 1.00 0.00 O ATOM 838 CB HIS A 479 2.232 -8.051 8.424 1.00 0.00 C ATOM 839 CG HIS A 479 1.202 -7.022 8.073 1.00 0.00 C ATOM 840 ND1 HIS A 479 0.207 -6.626 8.942 1.00 0.00 N ATOM 841 CD2 HIS A 479 1.017 -6.305 6.940 1.00 0.00 C ATOM 842 CE1 HIS A 479 -0.546 -5.712 8.358 1.00 0.00 C ATOM 843 NE2 HIS A 479 -0.075 -5.498 7.143 1.00 0.00 N ATOM 0 H HIS A 479 2.234 -9.799 6.504 1.00 0.00 H new ATOM 0 HA HIS A 479 3.605 -7.237 6.985 1.00 0.00 H new ATOM 0 HB2 HIS A 479 1.737 -9.009 8.582 1.00 0.00 H new ATOM 0 HB3 HIS A 479 2.702 -7.775 9.368 1.00 0.00 H new ATOM 0 HD2 HIS A 479 1.617 -6.358 6.043 1.00 0.00 H new ATOM 0 HE1 HIS A 479 -1.402 -5.223 8.799 1.00 0.00 H new ATOM 0 HE2 HIS A 479 -0.460 -4.840 6.465 1.00 0.00 H new ATOM 851 N ASP A 480 5.130 -9.824 7.230 1.00 0.00 N ATOM 852 CA ASP A 480 6.314 -10.537 7.697 1.00 0.00 C ATOM 853 C ASP A 480 7.481 -9.576 7.903 1.00 0.00 C ATOM 854 O ASP A 480 7.542 -8.499 7.310 1.00 0.00 O ATOM 855 CB ASP A 480 6.704 -11.629 6.700 1.00 0.00 C ATOM 856 CG ASP A 480 7.609 -11.110 5.599 1.00 0.00 C ATOM 857 OD1 ASP A 480 7.154 -10.254 4.812 1.00 0.00 O ATOM 858 OD2 ASP A 480 8.771 -11.561 5.524 1.00 0.00 O ATOM 0 H ASP A 480 4.803 -10.108 6.306 1.00 0.00 H new ATOM 0 HA ASP A 480 6.076 -11.000 8.655 1.00 0.00 H new ATOM 0 HB2 ASP A 480 7.208 -12.438 7.230 1.00 0.00 H new ATOM 0 HB3 ASP A 480 5.802 -12.051 6.257 1.00 0.00 H new ATOM 863 N PRO A 481 8.430 -9.974 8.763 1.00 0.00 N ATOM 864 CA PRO A 481 9.613 -9.162 9.066 1.00 0.00 C ATOM 865 C PRO A 481 10.577 -9.080 7.888 1.00 0.00 C ATOM 866 O PRO A 481 11.093 -10.096 7.422 1.00 0.00 O ATOM 867 CB PRO A 481 10.262 -9.905 10.237 1.00 0.00 C ATOM 868 CG PRO A 481 9.806 -11.316 10.089 1.00 0.00 C ATOM 869 CD PRO A 481 8.423 -11.246 9.505 1.00 0.00 C ATOM 0 HA PRO A 481 9.351 -8.128 9.291 1.00 0.00 H new ATOM 0 HB2 PRO A 481 11.349 -9.834 10.197 1.00 0.00 H new ATOM 0 HB3 PRO A 481 9.950 -9.486 11.194 1.00 0.00 H new ATOM 0 HG2 PRO A 481 10.477 -11.876 9.438 1.00 0.00 H new ATOM 0 HG3 PRO A 481 9.797 -11.826 11.052 1.00 0.00 H new ATOM 0 HD2 PRO A 481 8.220 -12.093 8.849 1.00 0.00 H new ATOM 0 HD3 PRO A 481 7.658 -11.254 10.281 1.00 0.00 H new ATOM 877 N LEU A 482 10.818 -7.863 7.411 1.00 0.00 N ATOM 878 CA LEU A 482 11.721 -7.648 6.286 1.00 0.00 C ATOM 879 C LEU A 482 12.943 -8.556 6.387 1.00 0.00 C ATOM 880 O LEU A 482 13.409 -8.868 7.483 1.00 0.00 O ATOM 881 CB LEU A 482 12.163 -6.184 6.235 1.00 0.00 C ATOM 882 CG LEU A 482 11.136 -5.192 5.686 1.00 0.00 C ATOM 883 CD1 LEU A 482 11.715 -3.786 5.656 1.00 0.00 C ATOM 884 CD2 LEU A 482 10.678 -5.612 4.297 1.00 0.00 C ATOM 0 H LEU A 482 10.401 -7.011 7.786 1.00 0.00 H new ATOM 0 HA LEU A 482 11.184 -7.892 5.369 1.00 0.00 H new ATOM 0 HB2 LEU A 482 12.437 -5.872 7.243 1.00 0.00 H new ATOM 0 HB3 LEU A 482 13.064 -6.118 5.625 1.00 0.00 H new ATOM 0 HG LEU A 482 10.270 -5.192 6.348 1.00 0.00 H new ATOM 0 HD11 LEU A 482 10.970 -3.094 5.263 1.00 0.00 H new ATOM 0 HD12 LEU A 482 11.992 -3.485 6.666 1.00 0.00 H new ATOM 0 HD13 LEU A 482 12.598 -3.770 5.018 1.00 0.00 H new ATOM 0 HD21 LEU A 482 9.948 -4.895 3.922 1.00 0.00 H new ATOM 0 HD22 LEU A 482 11.535 -5.642 3.625 1.00 0.00 H new ATOM 0 HD23 LEU A 482 10.222 -6.601 4.348 1.00 0.00 H new ATOM 896 N THR A 483 13.459 -8.976 5.236 1.00 0.00 N ATOM 897 CA THR A 483 14.627 -9.847 5.195 1.00 0.00 C ATOM 898 C THR A 483 15.720 -9.258 4.310 1.00 0.00 C ATOM 899 O THR A 483 15.449 -8.433 3.439 1.00 0.00 O ATOM 900 CB THR A 483 14.262 -11.250 4.676 1.00 0.00 C ATOM 901 OG1 THR A 483 13.742 -11.161 3.345 1.00 0.00 O ATOM 902 CG2 THR A 483 13.237 -11.913 5.583 1.00 0.00 C ATOM 0 H THR A 483 13.086 -8.727 4.320 1.00 0.00 H new ATOM 0 HA THR A 483 14.996 -9.931 6.217 1.00 0.00 H new ATOM 0 HB THR A 483 15.167 -11.858 4.672 1.00 0.00 H new ATOM 0 HG1 THR A 483 13.200 -10.349 3.259 1.00 0.00 H new ATOM 0 HG21 THR A 483 12.995 -12.903 5.196 1.00 0.00 H new ATOM 0 HG22 THR A 483 13.648 -12.007 6.588 1.00 0.00 H new ATOM 0 HG23 THR A 483 12.333 -11.305 5.616 1.00 0.00 H new ATOM 910 N GLU A 484 16.956 -9.690 4.540 1.00 0.00 N ATOM 911 CA GLU A 484 18.091 -9.204 3.762 1.00 0.00 C ATOM 912 C GLU A 484 17.733 -9.106 2.282 1.00 0.00 C ATOM 913 O GLU A 484 18.225 -8.230 1.572 1.00 0.00 O ATOM 914 CB GLU A 484 19.297 -10.128 3.947 1.00 0.00 C ATOM 915 CG GLU A 484 19.149 -11.469 3.248 1.00 0.00 C ATOM 916 CD GLU A 484 20.251 -12.443 3.616 1.00 0.00 C ATOM 917 OE1 GLU A 484 21.326 -12.391 2.983 1.00 0.00 O ATOM 918 OE2 GLU A 484 20.038 -13.258 4.539 1.00 0.00 O ATOM 0 H GLU A 484 17.197 -10.374 5.257 1.00 0.00 H new ATOM 0 HA GLU A 484 18.347 -8.208 4.123 1.00 0.00 H new ATOM 0 HB2 GLU A 484 20.189 -9.628 3.570 1.00 0.00 H new ATOM 0 HB3 GLU A 484 19.454 -10.298 5.012 1.00 0.00 H new ATOM 0 HG2 GLU A 484 18.183 -11.904 3.506 1.00 0.00 H new ATOM 0 HG3 GLU A 484 19.151 -11.314 2.169 1.00 0.00 H new ATOM 925 N GLU A 485 16.875 -10.012 1.825 1.00 0.00 N ATOM 926 CA GLU A 485 16.453 -10.028 0.429 1.00 0.00 C ATOM 927 C GLU A 485 15.354 -9.000 0.181 1.00 0.00 C ATOM 928 O GLU A 485 15.600 -7.934 -0.384 1.00 0.00 O ATOM 929 CB GLU A 485 15.960 -11.423 0.038 1.00 0.00 C ATOM 930 CG GLU A 485 17.053 -12.322 -0.515 1.00 0.00 C ATOM 931 CD GLU A 485 17.962 -12.869 0.568 1.00 0.00 C ATOM 932 OE1 GLU A 485 17.440 -13.409 1.566 1.00 0.00 O ATOM 933 OE2 GLU A 485 19.197 -12.758 0.418 1.00 0.00 O ATOM 0 H GLU A 485 16.459 -10.744 2.400 1.00 0.00 H new ATOM 0 HA GLU A 485 17.314 -9.769 -0.187 1.00 0.00 H new ATOM 0 HB2 GLU A 485 15.516 -11.900 0.912 1.00 0.00 H new ATOM 0 HB3 GLU A 485 15.171 -11.325 -0.707 1.00 0.00 H new ATOM 0 HG2 GLU A 485 16.597 -13.152 -1.055 1.00 0.00 H new ATOM 0 HG3 GLU A 485 17.649 -11.762 -1.236 1.00 0.00 H new ATOM 940 N THR A 486 14.138 -9.328 0.608 1.00 0.00 N ATOM 941 CA THR A 486 13.000 -8.435 0.431 1.00 0.00 C ATOM 942 C THR A 486 13.364 -7.000 0.797 1.00 0.00 C ATOM 943 O THR A 486 13.094 -6.069 0.038 1.00 0.00 O ATOM 944 CB THR A 486 11.798 -8.881 1.285 1.00 0.00 C ATOM 945 OG1 THR A 486 12.117 -8.769 2.676 1.00 0.00 O ATOM 946 CG2 THR A 486 11.408 -10.315 0.963 1.00 0.00 C ATOM 0 H THR A 486 13.917 -10.205 1.079 1.00 0.00 H new ATOM 0 HA THR A 486 12.725 -8.480 -0.623 1.00 0.00 H new ATOM 0 HB THR A 486 10.954 -8.231 1.053 1.00 0.00 H new ATOM 0 HG1 THR A 486 11.347 -9.053 3.212 1.00 0.00 H new ATOM 0 HG21 THR A 486 10.557 -10.608 1.578 1.00 0.00 H new ATOM 0 HG22 THR A 486 11.137 -10.391 -0.090 1.00 0.00 H new ATOM 0 HG23 THR A 486 12.250 -10.976 1.170 1.00 0.00 H new ATOM 954 N ARG A 487 13.979 -6.830 1.962 1.00 0.00 N ATOM 955 CA ARG A 487 14.380 -5.508 2.428 1.00 0.00 C ATOM 956 C ARG A 487 14.906 -4.661 1.273 1.00 0.00 C ATOM 957 O ARG A 487 14.551 -3.490 1.139 1.00 0.00 O ATOM 958 CB ARG A 487 15.451 -5.630 3.514 1.00 0.00 C ATOM 959 CG ARG A 487 16.203 -4.335 3.776 1.00 0.00 C ATOM 960 CD ARG A 487 15.255 -3.206 4.151 1.00 0.00 C ATOM 961 NE ARG A 487 15.072 -3.102 5.596 1.00 0.00 N ATOM 962 CZ ARG A 487 16.040 -2.755 6.436 1.00 0.00 C ATOM 963 NH1 ARG A 487 17.253 -2.479 5.977 1.00 0.00 N ATOM 964 NH2 ARG A 487 15.796 -2.682 7.738 1.00 0.00 N ATOM 0 H ARG A 487 14.211 -7.591 2.601 1.00 0.00 H new ATOM 0 HA ARG A 487 13.502 -5.016 2.846 1.00 0.00 H new ATOM 0 HB2 ARG A 487 14.981 -5.961 4.440 1.00 0.00 H new ATOM 0 HB3 ARG A 487 16.164 -6.402 3.224 1.00 0.00 H new ATOM 0 HG2 ARG A 487 16.924 -4.488 4.579 1.00 0.00 H new ATOM 0 HG3 ARG A 487 16.770 -4.056 2.888 1.00 0.00 H new ATOM 0 HD2 ARG A 487 15.644 -2.263 3.766 1.00 0.00 H new ATOM 0 HD3 ARG A 487 14.289 -3.371 3.674 1.00 0.00 H new ATOM 0 HE ARG A 487 14.150 -3.307 5.981 1.00 0.00 H new ATOM 0 HH11 ARG A 487 17.444 -2.533 4.977 1.00 0.00 H new ATOM 0 HH12 ARG A 487 17.995 -2.213 6.624 1.00 0.00 H new ATOM 0 HH21 ARG A 487 14.864 -2.893 8.095 1.00 0.00 H new ATOM 0 HH22 ARG A 487 16.540 -2.415 8.382 1.00 0.00 H new ATOM 978 N GLU A 488 15.753 -5.261 0.443 1.00 0.00 N ATOM 979 CA GLU A 488 16.328 -4.560 -0.699 1.00 0.00 C ATOM 980 C GLU A 488 15.233 -3.996 -1.599 1.00 0.00 C ATOM 981 O GLU A 488 15.336 -2.872 -2.092 1.00 0.00 O ATOM 982 CB GLU A 488 17.229 -5.501 -1.502 1.00 0.00 C ATOM 983 CG GLU A 488 18.098 -4.787 -2.523 1.00 0.00 C ATOM 984 CD GLU A 488 18.930 -5.746 -3.353 1.00 0.00 C ATOM 985 OE1 GLU A 488 19.268 -6.834 -2.841 1.00 0.00 O ATOM 986 OE2 GLU A 488 19.244 -5.408 -4.513 1.00 0.00 O ATOM 0 H GLU A 488 16.056 -6.230 0.540 1.00 0.00 H new ATOM 0 HA GLU A 488 16.926 -3.731 -0.320 1.00 0.00 H new ATOM 0 HB2 GLU A 488 17.870 -6.052 -0.814 1.00 0.00 H new ATOM 0 HB3 GLU A 488 16.608 -6.235 -2.016 1.00 0.00 H new ATOM 0 HG2 GLU A 488 17.464 -4.196 -3.184 1.00 0.00 H new ATOM 0 HG3 GLU A 488 18.759 -4.090 -2.008 1.00 0.00 H new ATOM 993 N LEU A 489 14.184 -4.784 -1.809 1.00 0.00 N ATOM 994 CA LEU A 489 13.068 -4.364 -2.650 1.00 0.00 C ATOM 995 C LEU A 489 12.639 -2.940 -2.314 1.00 0.00 C ATOM 996 O LEU A 489 12.720 -2.041 -3.152 1.00 0.00 O ATOM 997 CB LEU A 489 11.886 -5.320 -2.477 1.00 0.00 C ATOM 998 CG LEU A 489 12.103 -6.751 -2.971 1.00 0.00 C ATOM 999 CD1 LEU A 489 10.814 -7.552 -2.865 1.00 0.00 C ATOM 1000 CD2 LEU A 489 12.615 -6.749 -4.403 1.00 0.00 C ATOM 0 H LEU A 489 14.083 -5.717 -1.409 1.00 0.00 H new ATOM 0 HA LEU A 489 13.398 -4.388 -3.689 1.00 0.00 H new ATOM 0 HB2 LEU A 489 11.627 -5.357 -1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 489 11.027 -4.902 -3.001 1.00 0.00 H new ATOM 0 HG LEU A 489 12.855 -7.224 -2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 489 10.987 -8.568 -3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 489 10.489 -7.582 -1.825 1.00 0.00 H new ATOM 0 HD13 LEU A 489 10.042 -7.081 -3.473 1.00 0.00 H new ATOM 0 HD21 LEU A 489 12.764 -7.776 -4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 489 11.887 -6.259 -5.049 1.00 0.00 H new ATOM 0 HD23 LEU A 489 13.562 -6.211 -4.450 1.00 0.00 H new ATOM 1012 N LEU A 490 12.183 -2.740 -1.082 1.00 0.00 N ATOM 1013 CA LEU A 490 11.743 -1.423 -0.634 1.00 0.00 C ATOM 1014 C LEU A 490 12.689 -0.335 -1.128 1.00 0.00 C ATOM 1015 O LEU A 490 12.271 0.606 -1.803 1.00 0.00 O ATOM 1016 CB LEU A 490 11.657 -1.386 0.893 1.00 0.00 C ATOM 1017 CG LEU A 490 10.677 -2.369 1.535 1.00 0.00 C ATOM 1018 CD1 LEU A 490 10.838 -2.372 3.047 1.00 0.00 C ATOM 1019 CD2 LEU A 490 9.246 -2.023 1.150 1.00 0.00 C ATOM 0 H LEU A 490 12.108 -3.472 -0.376 1.00 0.00 H new ATOM 0 HA LEU A 490 10.754 -1.235 -1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 490 12.651 -1.579 1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 490 11.379 -0.377 1.197 1.00 0.00 H new ATOM 0 HG LEU A 490 10.900 -3.369 1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 490 10.133 -3.077 3.487 1.00 0.00 H new ATOM 0 HD12 LEU A 490 11.855 -2.668 3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 490 10.642 -1.373 3.436 1.00 0.00 H new ATOM 0 HD21 LEU A 490 8.562 -2.733 1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 490 9.011 -1.015 1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 490 9.138 -2.073 0.066 1.00 0.00 H new ATOM 1031 N ASP A 491 13.967 -0.470 -0.790 1.00 0.00 N ATOM 1032 CA ASP A 491 14.974 0.501 -1.202 1.00 0.00 C ATOM 1033 C ASP A 491 14.771 0.909 -2.658 1.00 0.00 C ATOM 1034 O ASP A 491 14.884 2.085 -3.006 1.00 0.00 O ATOM 1035 CB ASP A 491 16.377 -0.077 -1.013 1.00 0.00 C ATOM 1036 CG ASP A 491 16.584 -0.653 0.374 1.00 0.00 C ATOM 1037 OD1 ASP A 491 15.948 -0.153 1.325 1.00 0.00 O ATOM 1038 OD2 ASP A 491 17.382 -1.604 0.508 1.00 0.00 O ATOM 0 H ASP A 491 14.330 -1.243 -0.232 1.00 0.00 H new ATOM 0 HA ASP A 491 14.867 1.387 -0.576 1.00 0.00 H new ATOM 0 HB2 ASP A 491 16.549 -0.856 -1.756 1.00 0.00 H new ATOM 0 HB3 ASP A 491 17.116 0.704 -1.193 1.00 0.00 H new ATOM 1043 N LYS A 492 14.471 -0.069 -3.506 1.00 0.00 N ATOM 1044 CA LYS A 492 14.252 0.187 -4.924 1.00 0.00 C ATOM 1045 C LYS A 492 12.845 0.723 -5.169 1.00 0.00 C ATOM 1046 O LYS A 492 12.672 1.829 -5.679 1.00 0.00 O ATOM 1047 CB LYS A 492 14.470 -1.092 -5.734 1.00 0.00 C ATOM 1048 CG LYS A 492 14.687 -0.844 -7.217 1.00 0.00 C ATOM 1049 CD LYS A 492 15.227 -2.080 -7.916 1.00 0.00 C ATOM 1050 CE LYS A 492 15.675 -1.766 -9.336 1.00 0.00 C ATOM 1051 NZ LYS A 492 16.595 -2.809 -9.870 1.00 0.00 N ATOM 0 H LYS A 492 14.374 -1.048 -3.235 1.00 0.00 H new ATOM 0 HA LYS A 492 14.970 0.941 -5.247 1.00 0.00 H new ATOM 0 HB2 LYS A 492 15.333 -1.623 -5.333 1.00 0.00 H new ATOM 0 HB3 LYS A 492 13.606 -1.745 -5.606 1.00 0.00 H new ATOM 0 HG2 LYS A 492 13.746 -0.546 -7.679 1.00 0.00 H new ATOM 0 HG3 LYS A 492 15.383 -0.016 -7.350 1.00 0.00 H new ATOM 0 HD2 LYS A 492 16.066 -2.482 -7.349 1.00 0.00 H new ATOM 0 HD3 LYS A 492 14.458 -2.852 -7.938 1.00 0.00 H new ATOM 0 HE2 LYS A 492 14.802 -1.686 -9.983 1.00 0.00 H new ATOM 0 HE3 LYS A 492 16.175 -0.797 -9.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 16.878 -2.559 -10.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 17.440 -2.868 -9.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 16.110 -3.729 -9.877 1.00 0.00 H new ATOM 1065 N MET A 493 11.843 -0.068 -4.800 1.00 0.00 N ATOM 1066 CA MET A 493 10.451 0.329 -4.978 1.00 0.00 C ATOM 1067 C MET A 493 10.253 1.796 -4.613 1.00 0.00 C ATOM 1068 O MET A 493 9.792 2.594 -5.431 1.00 0.00 O ATOM 1069 CB MET A 493 9.535 -0.549 -4.123 1.00 0.00 C ATOM 1070 CG MET A 493 8.075 -0.497 -4.546 1.00 0.00 C ATOM 1071 SD MET A 493 7.224 0.964 -3.921 1.00 0.00 S ATOM 1072 CE MET A 493 7.131 0.581 -2.174 1.00 0.00 C ATOM 0 H MET A 493 11.969 -0.987 -4.376 1.00 0.00 H new ATOM 0 HA MET A 493 10.193 0.196 -6.029 1.00 0.00 H new ATOM 0 HB2 MET A 493 9.883 -1.581 -4.174 1.00 0.00 H new ATOM 0 HB3 MET A 493 9.614 -0.237 -3.082 1.00 0.00 H new ATOM 0 HG2 MET A 493 8.015 -0.510 -5.634 1.00 0.00 H new ATOM 0 HG3 MET A 493 7.565 -1.391 -4.188 1.00 0.00 H new ATOM 0 HE1 MET A 493 7.270 1.493 -1.594 1.00 0.00 H new ATOM 0 HE2 MET A 493 6.155 0.152 -1.947 1.00 0.00 H new ATOM 0 HE3 MET A 493 7.911 -0.136 -1.917 1.00 0.00 H new ATOM 1082 N LEU A 494 10.605 2.147 -3.380 1.00 0.00 N ATOM 1083 CA LEU A 494 10.466 3.520 -2.907 1.00 0.00 C ATOM 1084 C LEU A 494 11.214 4.488 -3.817 1.00 0.00 C ATOM 1085 O LEU A 494 10.664 5.503 -4.246 1.00 0.00 O ATOM 1086 CB LEU A 494 10.989 3.641 -1.474 1.00 0.00 C ATOM 1087 CG LEU A 494 10.031 3.192 -0.370 1.00 0.00 C ATOM 1088 CD1 LEU A 494 9.639 1.736 -0.564 1.00 0.00 C ATOM 1089 CD2 LEU A 494 10.662 3.399 0.999 1.00 0.00 C ATOM 0 H LEU A 494 10.988 1.500 -2.691 1.00 0.00 H new ATOM 0 HA LEU A 494 9.407 3.779 -2.925 1.00 0.00 H new ATOM 0 HB2 LEU A 494 11.905 3.056 -1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 494 11.258 4.682 -1.293 1.00 0.00 H new ATOM 0 HG LEU A 494 9.128 3.800 -0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 494 8.957 1.434 0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 494 9.147 1.617 -1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 494 10.532 1.112 -0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 494 9.967 3.074 1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 494 11.580 2.816 1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 494 10.892 4.455 1.138 1.00 0.00 H new