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 483 THR OG1 : rot -175:sc= -3.84! USER MOD Set 1.2: A 486 THR OG1 : rot -27:sc= 0.471 USER MOD Set 2.1: A 460 CYS SG : rot 130:sc= 0.326 USER MOD Set 2.2: A 469 CYS SG : rot 122:sc= -0.191 USER MOD Set 2.3: A 471 ASN : amide:sc= 0.387 K(o=0.6,f=-1.9!) USER MOD Set 2.4: A 475 CYS SG : rot 131:sc= 1.6 USER MOD Set 2.5: A 479 HIS : no HD1:sc= -1.53 K(o=0.6,f=-0.78!) USER MOD Set 3.1: A 440 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 476 MET CE :methyl 149:sc= -0.0495 (180deg=-2.23!) USER MOD Set 4.1: A 437 CYS SG : rot 125:sc= 0.518 USER MOD Set 4.2: A 445 CYS SG : rot -111:sc= 1.26 USER MOD Set 4.3: A 451 CYS SG : rot -180:sc= 0.749 USER MOD Set 4.4: A 455 HIS : no HE2:sc= -4.31! C(o=-1.8!,f=-6!) 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 180:sc= 0 USER MOD Single : A 438 LYS NZ :NH3+ -117:sc= -0.762 (180deg=-2.65!) USER MOD Single : A 442 THR OG1 : rot -7:sc= 0.675 USER MOD Single : A 450 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 454 MET CE :methyl -159:sc= -0.761 (180deg=-2.05!) USER MOD Single : A 461 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 463 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 HIS : no HE2:sc= -5.89! C(o=-5.9!,f=-6.6!) USER MOD Single : A 465 THR OG1 : rot -29:sc= 0.229 USER MOD Single : A 466 THR OG1 : rot 180:sc= 0 USER MOD Single : A 468 ASN : amide:sc= -0.407 K(o=-0.41,f=-5.5!) USER MOD Single : A 478 SER OG : rot 96:sc= 0.129 USER MOD Single : A 492 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 493 MET CE :methyl -103:sc= -1.07 (180deg=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 136 N LYS A 433 9.301 -11.511 -11.795 1.00 0.00 N ATOM 137 CA LYS A 433 9.955 -10.304 -11.304 1.00 0.00 C ATOM 138 C LYS A 433 9.572 -10.029 -9.853 1.00 0.00 C ATOM 139 O LYS A 433 8.395 -10.072 -9.494 1.00 0.00 O ATOM 140 CB LYS A 433 9.581 -9.105 -12.177 1.00 0.00 C ATOM 141 CG LYS A 433 9.895 -9.303 -13.650 1.00 0.00 C ATOM 142 CD LYS A 433 9.704 -8.019 -14.439 1.00 0.00 C ATOM 143 CE LYS A 433 9.357 -8.304 -15.892 1.00 0.00 C ATOM 144 NZ LYS A 433 8.852 -7.090 -16.590 1.00 0.00 N ATOM 0 HA LYS A 433 11.033 -10.460 -11.354 1.00 0.00 H new ATOM 0 HB2 LYS A 433 8.516 -8.903 -12.065 1.00 0.00 H new ATOM 0 HB3 LYS A 433 10.112 -8.224 -11.816 1.00 0.00 H new ATOM 0 HG2 LYS A 433 10.923 -9.649 -13.760 1.00 0.00 H new ATOM 0 HG3 LYS A 433 9.251 -10.081 -14.059 1.00 0.00 H new ATOM 0 HD2 LYS A 433 8.911 -7.426 -13.984 1.00 0.00 H new ATOM 0 HD3 LYS A 433 10.615 -7.423 -14.392 1.00 0.00 H new ATOM 0 HE2 LYS A 433 10.240 -8.679 -16.409 1.00 0.00 H new ATOM 0 HE3 LYS A 433 8.603 -9.089 -15.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 8.627 -7.326 -17.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 7.995 -6.746 -16.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 9.581 -6.349 -16.569 1.00 0.00 H new ATOM 158 N ARG A 434 10.572 -9.745 -9.025 1.00 0.00 N ATOM 159 CA ARG A 434 10.339 -9.463 -7.614 1.00 0.00 C ATOM 160 C ARG A 434 10.087 -7.975 -7.392 1.00 0.00 C ATOM 161 O ARG A 434 10.861 -7.299 -6.715 1.00 0.00 O ATOM 162 CB ARG A 434 11.534 -9.919 -6.776 1.00 0.00 C ATOM 163 CG ARG A 434 11.168 -10.311 -5.354 1.00 0.00 C ATOM 164 CD ARG A 434 10.627 -11.730 -5.288 1.00 0.00 C ATOM 165 NE ARG A 434 11.698 -12.722 -5.244 1.00 0.00 N ATOM 166 CZ ARG A 434 12.525 -12.866 -4.215 1.00 0.00 C ATOM 167 NH1 ARG A 434 12.405 -12.085 -3.150 1.00 0.00 N ATOM 168 NH2 ARG A 434 13.475 -13.792 -4.249 1.00 0.00 N ATOM 0 H ARG A 434 11.551 -9.704 -9.307 1.00 0.00 H new ATOM 0 HA ARG A 434 9.453 -10.015 -7.301 1.00 0.00 H new ATOM 0 HB2 ARG A 434 12.008 -10.769 -7.267 1.00 0.00 H new ATOM 0 HB3 ARG A 434 12.272 -9.117 -6.744 1.00 0.00 H new ATOM 0 HG2 ARG A 434 12.047 -10.226 -4.715 1.00 0.00 H new ATOM 0 HG3 ARG A 434 10.422 -9.618 -4.965 1.00 0.00 H new ATOM 0 HD2 ARG A 434 9.997 -11.837 -4.405 1.00 0.00 H new ATOM 0 HD3 ARG A 434 9.994 -11.918 -6.156 1.00 0.00 H new ATOM 0 HE ARG A 434 11.817 -13.338 -6.048 1.00 0.00 H new ATOM 0 HH11 ARG A 434 11.676 -11.372 -3.120 1.00 0.00 H new ATOM 0 HH12 ARG A 434 13.041 -12.197 -2.361 1.00 0.00 H new ATOM 0 HH21 ARG A 434 13.571 -14.395 -5.066 1.00 0.00 H new ATOM 0 HH22 ARG A 434 14.109 -13.901 -3.458 1.00 0.00 H new ATOM 182 N GLU A 435 8.998 -7.472 -7.966 1.00 0.00 N ATOM 183 CA GLU A 435 8.646 -6.063 -7.831 1.00 0.00 C ATOM 184 C GLU A 435 7.144 -5.896 -7.623 1.00 0.00 C ATOM 185 O GLU A 435 6.340 -6.637 -8.190 1.00 0.00 O ATOM 186 CB GLU A 435 9.090 -5.283 -9.070 1.00 0.00 C ATOM 187 CG GLU A 435 9.327 -3.805 -8.806 1.00 0.00 C ATOM 188 CD GLU A 435 10.692 -3.531 -8.205 1.00 0.00 C ATOM 189 OE1 GLU A 435 11.083 -4.257 -7.267 1.00 0.00 O ATOM 190 OE2 GLU A 435 11.368 -2.591 -8.672 1.00 0.00 O ATOM 0 H GLU A 435 8.345 -8.018 -8.528 1.00 0.00 H new ATOM 0 HA GLU A 435 9.163 -5.667 -6.957 1.00 0.00 H new ATOM 0 HB2 GLU A 435 10.007 -5.726 -9.458 1.00 0.00 H new ATOM 0 HB3 GLU A 435 8.332 -5.388 -9.846 1.00 0.00 H new ATOM 0 HG2 GLU A 435 9.228 -3.252 -9.740 1.00 0.00 H new ATOM 0 HG3 GLU A 435 8.556 -3.432 -8.132 1.00 0.00 H new ATOM 197 N LEU A 436 6.771 -4.917 -6.805 1.00 0.00 N ATOM 198 CA LEU A 436 5.366 -4.651 -6.520 1.00 0.00 C ATOM 199 C LEU A 436 4.617 -4.261 -7.790 1.00 0.00 C ATOM 200 O LEU A 436 5.077 -3.419 -8.562 1.00 0.00 O ATOM 201 CB LEU A 436 5.238 -3.540 -5.477 1.00 0.00 C ATOM 202 CG LEU A 436 3.823 -3.018 -5.223 1.00 0.00 C ATOM 203 CD1 LEU A 436 2.986 -4.069 -4.511 1.00 0.00 C ATOM 204 CD2 LEU A 436 3.867 -1.731 -4.412 1.00 0.00 C ATOM 0 H LEU A 436 7.423 -4.294 -6.328 1.00 0.00 H new ATOM 0 HA LEU A 436 4.922 -5.565 -6.125 1.00 0.00 H new ATOM 0 HB2 LEU A 436 5.644 -3.906 -4.534 1.00 0.00 H new ATOM 0 HB3 LEU A 436 5.862 -2.703 -5.789 1.00 0.00 H new ATOM 0 HG LEU A 436 3.358 -2.803 -6.185 1.00 0.00 H new ATOM 0 HD11 LEU A 436 1.983 -3.680 -4.339 1.00 0.00 H new ATOM 0 HD12 LEU A 436 2.926 -4.966 -5.128 1.00 0.00 H new ATOM 0 HD13 LEU A 436 3.448 -4.316 -3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 436 2.851 -1.374 -4.241 1.00 0.00 H new ATOM 0 HD22 LEU A 436 4.351 -1.921 -3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 436 4.430 -0.975 -4.959 1.00 0.00 H new ATOM 216 N CYS A 437 3.459 -4.878 -8.001 1.00 0.00 N ATOM 217 CA CYS A 437 2.644 -4.595 -9.176 1.00 0.00 C ATOM 218 C CYS A 437 2.092 -3.173 -9.126 1.00 0.00 C ATOM 219 O CYS A 437 1.649 -2.703 -8.078 1.00 0.00 O ATOM 220 CB CYS A 437 1.492 -5.597 -9.278 1.00 0.00 C ATOM 221 SG CYS A 437 0.751 -5.711 -10.938 1.00 0.00 S ATOM 0 H CYS A 437 3.064 -5.578 -7.373 1.00 0.00 H new ATOM 0 HA CYS A 437 3.278 -4.689 -10.058 1.00 0.00 H new ATOM 0 HB2 CYS A 437 1.855 -6.582 -8.985 1.00 0.00 H new ATOM 0 HB3 CYS A 437 0.717 -5.317 -8.564 1.00 0.00 H new ATOM 0 HG CYS A 437 0.780 -6.946 -11.342 1.00 0.00 H new ATOM 226 N LYS A 438 2.123 -2.492 -10.267 1.00 0.00 N ATOM 227 CA LYS A 438 1.625 -1.124 -10.356 1.00 0.00 C ATOM 228 C LYS A 438 0.101 -1.102 -10.411 1.00 0.00 C ATOM 229 O LYS A 438 -0.517 -0.039 -10.353 1.00 0.00 O ATOM 230 CB LYS A 438 2.201 -0.429 -11.592 1.00 0.00 C ATOM 231 CG LYS A 438 3.716 -0.493 -11.675 1.00 0.00 C ATOM 232 CD LYS A 438 4.218 -0.073 -13.046 1.00 0.00 C ATOM 233 CE LYS A 438 3.932 -1.137 -14.094 1.00 0.00 C ATOM 234 NZ LYS A 438 2.618 -0.921 -14.761 1.00 0.00 N ATOM 0 H LYS A 438 2.488 -2.865 -11.143 1.00 0.00 H new ATOM 0 HA LYS A 438 1.946 -0.588 -9.463 1.00 0.00 H new ATOM 0 HB2 LYS A 438 1.777 -0.886 -12.486 1.00 0.00 H new ATOM 0 HB3 LYS A 438 1.889 0.616 -11.589 1.00 0.00 H new ATOM 0 HG2 LYS A 438 4.151 0.155 -10.913 1.00 0.00 H new ATOM 0 HG3 LYS A 438 4.050 -1.508 -11.459 1.00 0.00 H new ATOM 0 HD2 LYS A 438 3.743 0.863 -13.338 1.00 0.00 H new ATOM 0 HD3 LYS A 438 5.291 0.115 -13.000 1.00 0.00 H new ATOM 0 HE2 LYS A 438 4.724 -1.131 -14.843 1.00 0.00 H new ATOM 0 HE3 LYS A 438 3.944 -2.121 -13.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 438 1.990 -1.725 -14.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 438 2.186 -0.046 -14.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 438 2.759 -0.840 -15.788 1.00 0.00 H new ATOM 248 N PHE A 439 -0.499 -2.282 -10.522 1.00 0.00 N ATOM 249 CA PHE A 439 -1.952 -2.398 -10.585 1.00 0.00 C ATOM 250 C PHE A 439 -2.504 -3.016 -9.303 1.00 0.00 C ATOM 251 O PHE A 439 -3.503 -2.549 -8.756 1.00 0.00 O ATOM 252 CB PHE A 439 -2.366 -3.243 -11.791 1.00 0.00 C ATOM 253 CG PHE A 439 -2.335 -2.489 -13.090 1.00 0.00 C ATOM 254 CD1 PHE A 439 -1.132 -2.225 -13.725 1.00 0.00 C ATOM 255 CD2 PHE A 439 -3.509 -2.045 -13.677 1.00 0.00 C ATOM 256 CE1 PHE A 439 -1.101 -1.531 -14.919 1.00 0.00 C ATOM 257 CE2 PHE A 439 -3.484 -1.351 -14.872 1.00 0.00 C ATOM 258 CZ PHE A 439 -2.278 -1.094 -15.494 1.00 0.00 C ATOM 0 H PHE A 439 -0.002 -3.172 -10.570 1.00 0.00 H new ATOM 0 HA PHE A 439 -2.367 -1.396 -10.693 1.00 0.00 H new ATOM 0 HB2 PHE A 439 -1.704 -4.106 -11.865 1.00 0.00 H new ATOM 0 HB3 PHE A 439 -3.373 -3.627 -11.627 1.00 0.00 H new ATOM 0 HD1 PHE A 439 -0.208 -2.566 -13.281 1.00 0.00 H new ATOM 0 HD2 PHE A 439 -4.455 -2.244 -13.195 1.00 0.00 H new ATOM 0 HE1 PHE A 439 -0.156 -1.330 -15.403 1.00 0.00 H new ATOM 0 HE2 PHE A 439 -4.406 -1.010 -15.319 1.00 0.00 H new ATOM 0 HZ PHE A 439 -2.255 -0.552 -16.428 1.00 0.00 H new ATOM 268 N TYR A 440 -1.846 -4.069 -8.831 1.00 0.00 N ATOM 269 CA TYR A 440 -2.272 -4.754 -7.616 1.00 0.00 C ATOM 270 C TYR A 440 -2.540 -3.756 -6.494 1.00 0.00 C ATOM 271 O TYR A 440 -3.437 -3.953 -5.674 1.00 0.00 O ATOM 272 CB TYR A 440 -1.210 -5.762 -7.175 1.00 0.00 C ATOM 273 CG TYR A 440 -1.667 -6.675 -6.060 1.00 0.00 C ATOM 274 CD1 TYR A 440 -2.737 -7.544 -6.242 1.00 0.00 C ATOM 275 CD2 TYR A 440 -1.031 -6.669 -4.825 1.00 0.00 C ATOM 276 CE1 TYR A 440 -3.159 -8.379 -5.226 1.00 0.00 C ATOM 277 CE2 TYR A 440 -1.446 -7.502 -3.804 1.00 0.00 C ATOM 278 CZ TYR A 440 -2.510 -8.355 -4.009 1.00 0.00 C ATOM 279 OH TYR A 440 -2.926 -9.185 -2.994 1.00 0.00 O ATOM 0 H TYR A 440 -1.016 -4.467 -9.271 1.00 0.00 H new ATOM 0 HA TYR A 440 -3.199 -5.285 -7.834 1.00 0.00 H new ATOM 0 HB2 TYR A 440 -0.918 -6.368 -8.033 1.00 0.00 H new ATOM 0 HB3 TYR A 440 -0.321 -5.221 -6.849 1.00 0.00 H new ATOM 0 HD1 TYR A 440 -3.247 -7.566 -7.194 1.00 0.00 H new ATOM 0 HD2 TYR A 440 -0.198 -6.002 -4.660 1.00 0.00 H new ATOM 0 HE1 TYR A 440 -3.993 -9.047 -5.384 1.00 0.00 H new ATOM 0 HE2 TYR A 440 -0.940 -7.485 -2.850 1.00 0.00 H new ATOM 0 HH TYR A 440 -2.362 -9.044 -2.205 1.00 0.00 H new ATOM 289 N ILE A 441 -1.755 -2.684 -6.464 1.00 0.00 N ATOM 290 CA ILE A 441 -1.907 -1.654 -5.445 1.00 0.00 C ATOM 291 C ILE A 441 -3.377 -1.316 -5.220 1.00 0.00 C ATOM 292 O ILE A 441 -3.787 -0.985 -4.107 1.00 0.00 O ATOM 293 CB ILE A 441 -1.148 -0.369 -5.825 1.00 0.00 C ATOM 294 CG1 ILE A 441 0.334 -0.674 -6.052 1.00 0.00 C ATOM 295 CG2 ILE A 441 -1.317 0.686 -4.742 1.00 0.00 C ATOM 296 CD1 ILE A 441 1.079 0.439 -6.756 1.00 0.00 C ATOM 0 H ILE A 441 -1.007 -2.507 -7.134 1.00 0.00 H new ATOM 0 HA ILE A 441 -1.484 -2.056 -4.524 1.00 0.00 H new ATOM 0 HB ILE A 441 -1.566 0.021 -6.753 1.00 0.00 H new ATOM 0 HG12 ILE A 441 0.809 -0.866 -5.090 1.00 0.00 H new ATOM 0 HG13 ILE A 441 0.423 -1.588 -6.639 1.00 0.00 H new ATOM 0 HG21 ILE A 441 -0.775 1.588 -5.025 1.00 0.00 H new ATOM 0 HG22 ILE A 441 -2.375 0.920 -4.624 1.00 0.00 H new ATOM 0 HG23 ILE A 441 -0.922 0.306 -3.799 1.00 0.00 H new ATOM 0 HD11 ILE A 441 2.123 0.154 -6.883 1.00 0.00 H new ATOM 0 HD12 ILE A 441 0.630 0.616 -7.733 1.00 0.00 H new ATOM 0 HD13 ILE A 441 1.021 1.349 -6.159 1.00 0.00 H new ATOM 308 N THR A 442 -4.168 -1.402 -6.286 1.00 0.00 N ATOM 309 CA THR A 442 -5.593 -1.106 -6.206 1.00 0.00 C ATOM 310 C THR A 442 -6.415 -2.385 -6.102 1.00 0.00 C ATOM 311 O THR A 442 -7.455 -2.415 -5.445 1.00 0.00 O ATOM 312 CB THR A 442 -6.068 -0.301 -7.430 1.00 0.00 C ATOM 313 OG1 THR A 442 -5.638 -0.942 -8.636 1.00 0.00 O ATOM 314 CG2 THR A 442 -5.529 1.121 -7.385 1.00 0.00 C ATOM 0 H THR A 442 -3.845 -1.674 -7.215 1.00 0.00 H new ATOM 0 HA THR A 442 -5.742 -0.508 -5.307 1.00 0.00 H new ATOM 0 HB THR A 442 -7.157 -0.261 -7.410 1.00 0.00 H new ATOM 0 HG1 THR A 442 -5.039 -1.686 -8.416 1.00 0.00 H new ATOM 0 HG21 THR A 442 -5.878 1.670 -8.260 1.00 0.00 H new ATOM 0 HG22 THR A 442 -5.883 1.616 -6.481 1.00 0.00 H new ATOM 0 HG23 THR A 442 -4.439 1.097 -7.382 1.00 0.00 H new ATOM 322 N GLY A 443 -5.942 -3.442 -6.756 1.00 0.00 N ATOM 323 CA GLY A 443 -6.647 -4.710 -6.724 1.00 0.00 C ATOM 324 C GLY A 443 -7.110 -5.151 -8.098 1.00 0.00 C ATOM 325 O GLY A 443 -7.550 -6.287 -8.278 1.00 0.00 O ATOM 0 H GLY A 443 -5.084 -3.443 -7.307 1.00 0.00 H new ATOM 0 HA2 GLY A 443 -5.995 -5.474 -6.301 1.00 0.00 H new ATOM 0 HA3 GLY A 443 -7.510 -4.626 -6.063 1.00 0.00 H new ATOM 329 N PHE A 444 -7.012 -4.251 -9.071 1.00 0.00 N ATOM 330 CA PHE A 444 -7.427 -4.553 -10.436 1.00 0.00 C ATOM 331 C PHE A 444 -6.221 -4.884 -11.310 1.00 0.00 C ATOM 332 O PHE A 444 -5.527 -3.991 -11.795 1.00 0.00 O ATOM 333 CB PHE A 444 -8.193 -3.370 -11.032 1.00 0.00 C ATOM 334 CG PHE A 444 -8.850 -3.681 -12.346 1.00 0.00 C ATOM 335 CD1 PHE A 444 -8.087 -3.920 -13.477 1.00 0.00 C ATOM 336 CD2 PHE A 444 -10.230 -3.736 -12.450 1.00 0.00 C ATOM 337 CE1 PHE A 444 -8.689 -4.206 -14.688 1.00 0.00 C ATOM 338 CE2 PHE A 444 -10.838 -4.023 -13.658 1.00 0.00 C ATOM 339 CZ PHE A 444 -10.066 -4.259 -14.778 1.00 0.00 C ATOM 0 H PHE A 444 -6.649 -3.307 -8.940 1.00 0.00 H new ATOM 0 HA PHE A 444 -8.082 -5.424 -10.406 1.00 0.00 H new ATOM 0 HB2 PHE A 444 -8.954 -3.046 -10.322 1.00 0.00 H new ATOM 0 HB3 PHE A 444 -7.507 -2.534 -11.167 1.00 0.00 H new ATOM 0 HD1 PHE A 444 -7.010 -3.882 -13.412 1.00 0.00 H new ATOM 0 HD2 PHE A 444 -10.839 -3.552 -11.577 1.00 0.00 H new ATOM 0 HE1 PHE A 444 -8.083 -4.388 -15.563 1.00 0.00 H new ATOM 0 HE2 PHE A 444 -11.915 -4.063 -13.725 1.00 0.00 H new ATOM 0 HZ PHE A 444 -10.538 -4.485 -15.723 1.00 0.00 H new ATOM 349 N CYS A 445 -5.978 -6.176 -11.507 1.00 0.00 N ATOM 350 CA CYS A 445 -4.857 -6.628 -12.321 1.00 0.00 C ATOM 351 C CYS A 445 -5.280 -7.765 -13.247 1.00 0.00 C ATOM 352 O CYS A 445 -5.540 -8.881 -12.799 1.00 0.00 O ATOM 353 CB CYS A 445 -3.703 -7.087 -11.427 1.00 0.00 C ATOM 354 SG CYS A 445 -2.303 -7.817 -12.336 1.00 0.00 S ATOM 0 H CYS A 445 -6.543 -6.928 -11.113 1.00 0.00 H new ATOM 0 HA CYS A 445 -4.524 -5.790 -12.933 1.00 0.00 H new ATOM 0 HB2 CYS A 445 -3.343 -6.235 -10.850 1.00 0.00 H new ATOM 0 HB3 CYS A 445 -4.080 -7.819 -10.713 1.00 0.00 H new ATOM 0 HG CYS A 445 -2.241 -9.091 -12.087 1.00 0.00 H new ATOM 359 N ALA A 446 -5.347 -7.471 -14.542 1.00 0.00 N ATOM 360 CA ALA A 446 -5.736 -8.468 -15.531 1.00 0.00 C ATOM 361 C ALA A 446 -5.131 -9.830 -15.207 1.00 0.00 C ATOM 362 O ALA A 446 -5.851 -10.809 -15.013 1.00 0.00 O ATOM 363 CB ALA A 446 -5.318 -8.021 -16.924 1.00 0.00 C ATOM 0 H ALA A 446 -5.137 -6.551 -14.930 1.00 0.00 H new ATOM 0 HA ALA A 446 -6.821 -8.566 -15.503 1.00 0.00 H new ATOM 0 HB1 ALA A 446 -5.615 -8.775 -17.653 1.00 0.00 H new ATOM 0 HB2 ALA A 446 -5.803 -7.075 -17.163 1.00 0.00 H new ATOM 0 HB3 ALA A 446 -4.236 -7.892 -16.955 1.00 0.00 H new ATOM 369 N ARG A 447 -3.804 -9.884 -15.150 1.00 0.00 N ATOM 370 CA ARG A 447 -3.103 -11.126 -14.851 1.00 0.00 C ATOM 371 C ARG A 447 -3.094 -11.398 -13.350 1.00 0.00 C ATOM 372 O ARG A 447 -2.383 -10.736 -12.594 1.00 0.00 O ATOM 373 CB ARG A 447 -1.668 -11.066 -15.378 1.00 0.00 C ATOM 374 CG ARG A 447 -1.510 -11.628 -16.781 1.00 0.00 C ATOM 375 CD ARG A 447 -0.058 -11.603 -17.232 1.00 0.00 C ATOM 376 NE ARG A 447 0.273 -10.372 -17.945 1.00 0.00 N ATOM 377 CZ ARG A 447 0.664 -9.256 -17.342 1.00 0.00 C ATOM 378 NH1 ARG A 447 0.774 -9.215 -16.021 1.00 0.00 N ATOM 379 NH2 ARG A 447 0.948 -8.176 -18.060 1.00 0.00 N ATOM 0 H ARG A 447 -3.194 -9.082 -15.307 1.00 0.00 H new ATOM 0 HA ARG A 447 -3.631 -11.940 -15.347 1.00 0.00 H new ATOM 0 HB2 ARG A 447 -1.330 -10.030 -15.371 1.00 0.00 H new ATOM 0 HB3 ARG A 447 -1.017 -11.618 -14.699 1.00 0.00 H new ATOM 0 HG2 ARG A 447 -1.883 -12.652 -16.808 1.00 0.00 H new ATOM 0 HG3 ARG A 447 -2.118 -11.049 -17.476 1.00 0.00 H new ATOM 0 HD2 ARG A 447 0.593 -11.705 -16.364 1.00 0.00 H new ATOM 0 HD3 ARG A 447 0.136 -12.459 -17.878 1.00 0.00 H new ATOM 0 HE ARG A 447 0.200 -10.370 -18.962 1.00 0.00 H new ATOM 0 HH11 ARG A 447 0.558 -10.043 -15.465 1.00 0.00 H new ATOM 0 HH12 ARG A 447 1.075 -8.356 -15.561 1.00 0.00 H new ATOM 0 HH21 ARG A 447 0.866 -8.203 -19.076 1.00 0.00 H new ATOM 0 HH22 ARG A 447 1.248 -7.319 -17.595 1.00 0.00 H new ATOM 393 N ALA A 448 -3.888 -12.375 -12.926 1.00 0.00 N ATOM 394 CA ALA A 448 -3.971 -12.735 -11.516 1.00 0.00 C ATOM 395 C ALA A 448 -2.826 -13.660 -11.117 1.00 0.00 C ATOM 396 O ALA A 448 -1.855 -13.229 -10.497 1.00 0.00 O ATOM 397 CB ALA A 448 -5.310 -13.391 -11.216 1.00 0.00 C ATOM 0 H ALA A 448 -4.483 -12.932 -13.539 1.00 0.00 H new ATOM 0 HA ALA A 448 -3.887 -11.821 -10.928 1.00 0.00 H new ATOM 0 HB1 ALA A 448 -5.358 -13.654 -10.159 1.00 0.00 H new ATOM 0 HB2 ALA A 448 -6.116 -12.697 -11.454 1.00 0.00 H new ATOM 0 HB3 ALA A 448 -5.417 -14.292 -11.820 1.00 0.00 H new ATOM 403 N GLU A 449 -2.948 -14.934 -11.478 1.00 0.00 N ATOM 404 CA GLU A 449 -1.923 -15.920 -11.156 1.00 0.00 C ATOM 405 C GLU A 449 -0.784 -15.872 -12.170 1.00 0.00 C ATOM 406 O GLU A 449 0.262 -16.489 -11.975 1.00 0.00 O ATOM 407 CB GLU A 449 -2.528 -17.325 -11.118 1.00 0.00 C ATOM 408 CG GLU A 449 -1.601 -18.372 -10.524 1.00 0.00 C ATOM 409 CD GLU A 449 -2.224 -19.754 -10.495 1.00 0.00 C ATOM 410 OE1 GLU A 449 -3.123 -20.017 -11.321 1.00 0.00 O ATOM 411 OE2 GLU A 449 -1.811 -20.572 -9.647 1.00 0.00 O ATOM 0 H GLU A 449 -3.746 -15.307 -11.993 1.00 0.00 H new ATOM 0 HA GLU A 449 -1.521 -15.679 -10.172 1.00 0.00 H new ATOM 0 HB2 GLU A 449 -3.451 -17.298 -10.538 1.00 0.00 H new ATOM 0 HB3 GLU A 449 -2.797 -17.623 -12.131 1.00 0.00 H new ATOM 0 HG2 GLU A 449 -0.678 -18.406 -11.103 1.00 0.00 H new ATOM 0 HG3 GLU A 449 -1.330 -18.078 -9.510 1.00 0.00 H new ATOM 418 N ASN A 450 -0.997 -15.136 -13.256 1.00 0.00 N ATOM 419 CA ASN A 450 0.010 -15.008 -14.303 1.00 0.00 C ATOM 420 C ASN A 450 0.780 -13.699 -14.160 1.00 0.00 C ATOM 421 O ASN A 450 1.466 -13.264 -15.086 1.00 0.00 O ATOM 422 CB ASN A 450 -0.647 -15.078 -15.683 1.00 0.00 C ATOM 423 CG ASN A 450 -1.147 -16.470 -16.015 1.00 0.00 C ATOM 424 OD1 ASN A 450 -0.378 -17.334 -16.436 1.00 0.00 O ATOM 425 ND2 ASN A 450 -2.443 -16.694 -15.828 1.00 0.00 N ATOM 0 H ASN A 450 -1.858 -14.619 -13.434 1.00 0.00 H new ATOM 0 HA ASN A 450 0.712 -15.835 -14.200 1.00 0.00 H new ATOM 0 HB2 ASN A 450 -1.481 -14.377 -15.722 1.00 0.00 H new ATOM 0 HB3 ASN A 450 0.070 -14.762 -16.440 1.00 0.00 H new ATOM 0 HD21 ASN A 450 -2.837 -17.612 -16.035 1.00 0.00 H new ATOM 0 HD22 ASN A 450 -3.044 -15.948 -15.477 1.00 0.00 H new ATOM 432 N CYS A 451 0.663 -13.074 -12.993 1.00 0.00 N ATOM 433 CA CYS A 451 1.348 -11.815 -12.727 1.00 0.00 C ATOM 434 C CYS A 451 2.808 -12.057 -12.355 1.00 0.00 C ATOM 435 O CYS A 451 3.122 -12.604 -11.298 1.00 0.00 O ATOM 436 CB CYS A 451 0.643 -11.055 -11.601 1.00 0.00 C ATOM 437 SG CYS A 451 1.260 -9.360 -11.348 1.00 0.00 S ATOM 0 H CYS A 451 0.100 -13.419 -12.216 1.00 0.00 H new ATOM 0 HA CYS A 451 1.318 -11.215 -13.637 1.00 0.00 H new ATOM 0 HB2 CYS A 451 -0.424 -11.013 -11.818 1.00 0.00 H new ATOM 0 HB3 CYS A 451 0.758 -11.614 -10.672 1.00 0.00 H new ATOM 0 HG CYS A 451 0.605 -8.801 -10.374 1.00 0.00 H new ATOM 442 N PRO A 452 3.721 -11.640 -13.244 1.00 0.00 N ATOM 443 CA PRO A 452 5.163 -11.800 -13.031 1.00 0.00 C ATOM 444 C PRO A 452 5.689 -10.898 -11.920 1.00 0.00 C ATOM 445 O PRO A 452 6.890 -10.864 -11.650 1.00 0.00 O ATOM 446 CB PRO A 452 5.767 -11.397 -14.379 1.00 0.00 C ATOM 447 CG PRO A 452 4.760 -10.484 -14.987 1.00 0.00 C ATOM 448 CD PRO A 452 3.418 -10.980 -14.524 1.00 0.00 C ATOM 0 HA PRO A 452 5.419 -12.813 -12.719 1.00 0.00 H new ATOM 0 HB2 PRO A 452 6.727 -10.897 -14.249 1.00 0.00 H new ATOM 0 HB3 PRO A 452 5.944 -12.268 -15.010 1.00 0.00 H new ATOM 0 HG2 PRO A 452 4.926 -9.454 -14.671 1.00 0.00 H new ATOM 0 HG3 PRO A 452 4.827 -10.498 -16.075 1.00 0.00 H new ATOM 0 HD2 PRO A 452 2.709 -10.162 -14.396 1.00 0.00 H new ATOM 0 HD3 PRO A 452 2.977 -11.674 -15.240 1.00 0.00 H new ATOM 456 N TYR A 453 4.783 -10.169 -11.278 1.00 0.00 N ATOM 457 CA TYR A 453 5.156 -9.264 -10.197 1.00 0.00 C ATOM 458 C TYR A 453 4.761 -9.843 -8.842 1.00 0.00 C ATOM 459 O TYR A 453 4.284 -10.974 -8.753 1.00 0.00 O ATOM 460 CB TYR A 453 4.495 -7.899 -10.395 1.00 0.00 C ATOM 461 CG TYR A 453 5.147 -7.060 -11.470 1.00 0.00 C ATOM 462 CD1 TYR A 453 5.042 -7.410 -12.811 1.00 0.00 C ATOM 463 CD2 TYR A 453 5.869 -5.918 -11.146 1.00 0.00 C ATOM 464 CE1 TYR A 453 5.637 -6.647 -13.797 1.00 0.00 C ATOM 465 CE2 TYR A 453 6.465 -5.148 -12.125 1.00 0.00 C ATOM 466 CZ TYR A 453 6.347 -5.517 -13.449 1.00 0.00 C ATOM 467 OH TYR A 453 6.941 -4.753 -14.427 1.00 0.00 O ATOM 0 H TYR A 453 3.785 -10.187 -11.487 1.00 0.00 H new ATOM 0 HA TYR A 453 6.239 -9.141 -10.217 1.00 0.00 H new ATOM 0 HB2 TYR A 453 3.445 -8.047 -10.648 1.00 0.00 H new ATOM 0 HB3 TYR A 453 4.522 -7.352 -9.453 1.00 0.00 H new ATOM 0 HD1 TYR A 453 4.486 -8.294 -13.087 1.00 0.00 H new ATOM 0 HD2 TYR A 453 5.966 -5.627 -10.110 1.00 0.00 H new ATOM 0 HE1 TYR A 453 5.547 -6.934 -14.834 1.00 0.00 H new ATOM 0 HE2 TYR A 453 7.020 -4.262 -11.856 1.00 0.00 H new ATOM 0 HH TYR A 453 7.401 -3.992 -14.014 1.00 0.00 H new ATOM 477 N MET A 454 4.962 -9.057 -7.789 1.00 0.00 N ATOM 478 CA MET A 454 4.625 -9.489 -6.438 1.00 0.00 C ATOM 479 C MET A 454 3.297 -8.886 -5.989 1.00 0.00 C ATOM 480 O MET A 454 3.037 -7.702 -6.207 1.00 0.00 O ATOM 481 CB MET A 454 5.734 -9.094 -5.461 1.00 0.00 C ATOM 482 CG MET A 454 7.023 -9.876 -5.657 1.00 0.00 C ATOM 483 SD MET A 454 6.971 -11.505 -4.886 1.00 0.00 S ATOM 484 CE MET A 454 7.736 -11.155 -3.304 1.00 0.00 C ATOM 0 H MET A 454 5.356 -8.118 -7.846 1.00 0.00 H new ATOM 0 HA MET A 454 4.527 -10.575 -6.445 1.00 0.00 H new ATOM 0 HB2 MET A 454 5.943 -8.030 -5.573 1.00 0.00 H new ATOM 0 HB3 MET A 454 5.379 -9.244 -4.441 1.00 0.00 H new ATOM 0 HG2 MET A 454 7.216 -9.989 -6.724 1.00 0.00 H new ATOM 0 HG3 MET A 454 7.855 -9.308 -5.241 1.00 0.00 H new ATOM 0 HE1 MET A 454 8.115 -12.080 -2.870 1.00 0.00 H new ATOM 0 HE2 MET A 454 8.560 -10.456 -3.445 1.00 0.00 H new ATOM 0 HE3 MET A 454 6.999 -10.715 -2.633 1.00 0.00 H new ATOM 494 N HIS A 455 2.461 -9.707 -5.362 1.00 0.00 N ATOM 495 CA HIS A 455 1.160 -9.253 -4.883 1.00 0.00 C ATOM 496 C HIS A 455 1.064 -9.384 -3.366 1.00 0.00 C ATOM 497 O HIS A 455 1.143 -8.393 -2.641 1.00 0.00 O ATOM 498 CB HIS A 455 0.040 -10.054 -5.547 1.00 0.00 C ATOM 499 CG HIS A 455 -0.323 -9.557 -6.913 1.00 0.00 C ATOM 500 ND1 HIS A 455 -1.314 -10.129 -7.683 1.00 0.00 N ATOM 501 CD2 HIS A 455 0.178 -8.535 -7.645 1.00 0.00 C ATOM 502 CE1 HIS A 455 -1.406 -9.481 -8.830 1.00 0.00 C ATOM 503 NE2 HIS A 455 -0.512 -8.508 -8.832 1.00 0.00 N ATOM 0 H HIS A 455 2.661 -10.689 -5.174 1.00 0.00 H new ATOM 0 HA HIS A 455 1.050 -8.201 -5.147 1.00 0.00 H new ATOM 0 HB2 HIS A 455 0.344 -11.098 -5.618 1.00 0.00 H new ATOM 0 HB3 HIS A 455 -0.845 -10.022 -4.911 1.00 0.00 H new ATOM 0 HD1 HIS A 455 -1.886 -10.928 -7.409 1.00 0.00 H new ATOM 0 HD2 HIS A 455 0.973 -7.865 -7.351 1.00 0.00 H new ATOM 0 HE1 HIS A 455 -2.095 -9.708 -9.630 1.00 0.00 H new ATOM 511 N GLY A 456 0.893 -10.614 -2.892 1.00 0.00 N ATOM 512 CA GLY A 456 0.789 -10.852 -1.464 1.00 0.00 C ATOM 513 C GLY A 456 2.140 -10.865 -0.778 1.00 0.00 C ATOM 514 O GLY A 456 2.433 -10.001 0.048 1.00 0.00 O ATOM 0 H GLY A 456 0.825 -11.451 -3.472 1.00 0.00 H new ATOM 0 HA2 GLY A 456 0.164 -10.080 -1.015 1.00 0.00 H new ATOM 0 HA3 GLY A 456 0.289 -11.806 -1.293 1.00 0.00 H new ATOM 518 N ASP A 457 2.965 -11.848 -1.119 1.00 0.00 N ATOM 519 CA ASP A 457 4.294 -11.971 -0.530 1.00 0.00 C ATOM 520 C ASP A 457 4.884 -10.597 -0.230 1.00 0.00 C ATOM 521 O ASP A 457 5.407 -10.359 0.859 1.00 0.00 O ATOM 522 CB ASP A 457 5.222 -12.745 -1.468 1.00 0.00 C ATOM 523 CG ASP A 457 5.064 -14.247 -1.329 1.00 0.00 C ATOM 524 OD1 ASP A 457 3.983 -14.691 -0.890 1.00 0.00 O ATOM 525 OD2 ASP A 457 6.022 -14.977 -1.659 1.00 0.00 O ATOM 0 H ASP A 457 2.737 -12.572 -1.801 1.00 0.00 H new ATOM 0 HA ASP A 457 4.200 -12.519 0.408 1.00 0.00 H new ATOM 0 HB2 ASP A 457 5.017 -12.455 -2.498 1.00 0.00 H new ATOM 0 HB3 ASP A 457 6.256 -12.470 -1.259 1.00 0.00 H new ATOM 530 N PHE A 458 4.798 -9.696 -1.203 1.00 0.00 N ATOM 531 CA PHE A 458 5.326 -8.346 -1.044 1.00 0.00 C ATOM 532 C PHE A 458 4.966 -7.780 0.327 1.00 0.00 C ATOM 533 O PHE A 458 3.814 -7.816 0.758 1.00 0.00 O ATOM 534 CB PHE A 458 4.785 -7.431 -2.144 1.00 0.00 C ATOM 535 CG PHE A 458 5.615 -6.199 -2.361 1.00 0.00 C ATOM 536 CD1 PHE A 458 6.861 -6.283 -2.961 1.00 0.00 C ATOM 537 CD2 PHE A 458 5.149 -4.955 -1.966 1.00 0.00 C ATOM 538 CE1 PHE A 458 7.627 -5.151 -3.161 1.00 0.00 C ATOM 539 CE2 PHE A 458 5.910 -3.819 -2.164 1.00 0.00 C ATOM 540 CZ PHE A 458 7.151 -3.917 -2.763 1.00 0.00 C ATOM 0 H PHE A 458 4.368 -9.876 -2.110 1.00 0.00 H new ATOM 0 HA PHE A 458 6.412 -8.395 -1.124 1.00 0.00 H new ATOM 0 HB2 PHE A 458 4.730 -7.991 -3.077 1.00 0.00 H new ATOM 0 HB3 PHE A 458 3.767 -7.134 -1.890 1.00 0.00 H new ATOM 0 HD1 PHE A 458 7.238 -7.245 -3.276 1.00 0.00 H new ATOM 0 HD2 PHE A 458 4.179 -4.873 -1.498 1.00 0.00 H new ATOM 0 HE1 PHE A 458 8.597 -5.231 -3.628 1.00 0.00 H new ATOM 0 HE2 PHE A 458 5.535 -2.856 -1.851 1.00 0.00 H new ATOM 0 HZ PHE A 458 7.748 -3.031 -2.920 1.00 0.00 H new ATOM 550 N PRO A 459 5.976 -7.244 1.029 1.00 0.00 N ATOM 551 CA PRO A 459 5.792 -6.660 2.360 1.00 0.00 C ATOM 552 C PRO A 459 5.002 -5.357 2.317 1.00 0.00 C ATOM 553 O PRO A 459 5.107 -4.586 1.363 1.00 0.00 O ATOM 554 CB PRO A 459 7.224 -6.401 2.835 1.00 0.00 C ATOM 555 CG PRO A 459 8.018 -6.254 1.583 1.00 0.00 C ATOM 556 CD PRO A 459 7.375 -7.168 0.576 1.00 0.00 C ATOM 0 HA PRO A 459 5.222 -7.316 3.018 1.00 0.00 H new ATOM 0 HB2 PRO A 459 7.281 -5.501 3.448 1.00 0.00 H new ATOM 0 HB3 PRO A 459 7.594 -7.226 3.444 1.00 0.00 H new ATOM 0 HG2 PRO A 459 8.009 -5.221 1.234 1.00 0.00 H new ATOM 0 HG3 PRO A 459 9.061 -6.526 1.748 1.00 0.00 H new ATOM 0 HD2 PRO A 459 7.449 -6.767 -0.435 1.00 0.00 H new ATOM 0 HD3 PRO A 459 7.848 -8.150 0.565 1.00 0.00 H new ATOM 564 N CYS A 460 4.210 -5.116 3.357 1.00 0.00 N ATOM 565 CA CYS A 460 3.401 -3.906 3.439 1.00 0.00 C ATOM 566 C CYS A 460 4.279 -2.679 3.663 1.00 0.00 C ATOM 567 O CYS A 460 5.308 -2.752 4.334 1.00 0.00 O ATOM 568 CB CYS A 460 2.377 -4.028 4.569 1.00 0.00 C ATOM 569 SG CYS A 460 1.214 -2.629 4.673 1.00 0.00 S ATOM 0 H CYS A 460 4.111 -5.743 4.155 1.00 0.00 H new ATOM 0 HA CYS A 460 2.874 -3.786 2.492 1.00 0.00 H new ATOM 0 HB2 CYS A 460 1.810 -4.949 4.433 1.00 0.00 H new ATOM 0 HB3 CYS A 460 2.907 -4.117 5.517 1.00 0.00 H new ATOM 0 HG CYS A 460 -0.003 -3.081 4.741 1.00 0.00 H new ATOM 574 N LYS A 461 3.865 -1.551 3.096 1.00 0.00 N ATOM 575 CA LYS A 461 4.611 -0.306 3.234 1.00 0.00 C ATOM 576 C LYS A 461 4.332 0.350 4.583 1.00 0.00 C ATOM 577 O LYS A 461 5.226 0.473 5.422 1.00 0.00 O ATOM 578 CB LYS A 461 4.249 0.658 2.102 1.00 0.00 C ATOM 579 CG LYS A 461 5.072 1.935 2.104 1.00 0.00 C ATOM 580 CD LYS A 461 4.820 2.762 0.854 1.00 0.00 C ATOM 581 CE LYS A 461 4.985 4.249 1.128 1.00 0.00 C ATOM 582 NZ LYS A 461 4.570 5.077 -0.038 1.00 0.00 N ATOM 0 H LYS A 461 3.016 -1.473 2.536 1.00 0.00 H new ATOM 0 HA LYS A 461 5.674 -0.541 3.177 1.00 0.00 H new ATOM 0 HB2 LYS A 461 4.384 0.150 1.147 1.00 0.00 H new ATOM 0 HB3 LYS A 461 3.193 0.916 2.180 1.00 0.00 H new ATOM 0 HG2 LYS A 461 4.828 2.525 2.987 1.00 0.00 H new ATOM 0 HG3 LYS A 461 6.131 1.686 2.170 1.00 0.00 H new ATOM 0 HD2 LYS A 461 5.511 2.457 0.069 1.00 0.00 H new ATOM 0 HD3 LYS A 461 3.813 2.568 0.485 1.00 0.00 H new ATOM 0 HE2 LYS A 461 4.392 4.526 2.000 1.00 0.00 H new ATOM 0 HE3 LYS A 461 6.026 4.460 1.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 4.697 6.084 0.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 5.153 4.831 -0.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 3.569 4.895 -0.255 1.00 0.00 H new ATOM 596 N LEU A 462 3.087 0.767 4.786 1.00 0.00 N ATOM 597 CA LEU A 462 2.690 1.408 6.035 1.00 0.00 C ATOM 598 C LEU A 462 3.234 0.644 7.237 1.00 0.00 C ATOM 599 O LEU A 462 3.991 1.188 8.041 1.00 0.00 O ATOM 600 CB LEU A 462 1.165 1.499 6.121 1.00 0.00 C ATOM 601 CG LEU A 462 0.508 2.587 5.272 1.00 0.00 C ATOM 602 CD1 LEU A 462 -1.003 2.559 5.442 1.00 0.00 C ATOM 603 CD2 LEU A 462 1.062 3.957 5.638 1.00 0.00 C ATOM 0 H LEU A 462 2.336 0.673 4.103 1.00 0.00 H new ATOM 0 HA LEU A 462 3.110 2.414 6.048 1.00 0.00 H new ATOM 0 HB2 LEU A 462 0.747 0.536 5.828 1.00 0.00 H new ATOM 0 HB3 LEU A 462 0.889 1.663 7.163 1.00 0.00 H new ATOM 0 HG LEU A 462 0.739 2.391 4.225 1.00 0.00 H new ATOM 0 HD11 LEU A 462 -1.453 3.341 4.830 1.00 0.00 H new ATOM 0 HD12 LEU A 462 -1.386 1.588 5.129 1.00 0.00 H new ATOM 0 HD13 LEU A 462 -1.255 2.728 6.489 1.00 0.00 H new ATOM 0 HD21 LEU A 462 0.583 4.719 5.024 1.00 0.00 H new ATOM 0 HD22 LEU A 462 0.863 4.161 6.690 1.00 0.00 H new ATOM 0 HD23 LEU A 462 2.138 3.973 5.463 1.00 0.00 H new ATOM 615 N TYR A 463 2.845 -0.621 7.353 1.00 0.00 N ATOM 616 CA TYR A 463 3.294 -1.461 8.457 1.00 0.00 C ATOM 617 C TYR A 463 4.772 -1.225 8.755 1.00 0.00 C ATOM 618 O TYR A 463 5.245 -1.493 9.860 1.00 0.00 O ATOM 619 CB TYR A 463 3.057 -2.937 8.132 1.00 0.00 C ATOM 620 CG TYR A 463 3.462 -3.875 9.247 1.00 0.00 C ATOM 621 CD1 TYR A 463 2.594 -4.158 10.293 1.00 0.00 C ATOM 622 CD2 TYR A 463 4.714 -4.479 9.252 1.00 0.00 C ATOM 623 CE1 TYR A 463 2.960 -5.014 11.314 1.00 0.00 C ATOM 624 CE2 TYR A 463 5.088 -5.337 10.268 1.00 0.00 C ATOM 625 CZ TYR A 463 4.208 -5.601 11.297 1.00 0.00 C ATOM 626 OH TYR A 463 4.577 -6.455 12.311 1.00 0.00 O ATOM 0 H TYR A 463 2.220 -1.087 6.696 1.00 0.00 H new ATOM 0 HA TYR A 463 2.716 -1.194 9.342 1.00 0.00 H new ATOM 0 HB2 TYR A 463 2.001 -3.086 7.909 1.00 0.00 H new ATOM 0 HB3 TYR A 463 3.613 -3.196 7.231 1.00 0.00 H new ATOM 0 HD1 TYR A 463 1.616 -3.701 10.309 1.00 0.00 H new ATOM 0 HD2 TYR A 463 5.406 -4.274 8.448 1.00 0.00 H new ATOM 0 HE1 TYR A 463 2.273 -5.222 12.121 1.00 0.00 H new ATOM 0 HE2 TYR A 463 6.064 -5.799 10.257 1.00 0.00 H new ATOM 0 HH TYR A 463 5.486 -6.783 12.148 1.00 0.00 H new ATOM 636 N HIS A 464 5.496 -0.722 7.761 1.00 0.00 N ATOM 637 CA HIS A 464 6.920 -0.448 7.915 1.00 0.00 C ATOM 638 C HIS A 464 7.164 1.036 8.175 1.00 0.00 C ATOM 639 O HIS A 464 7.796 1.409 9.163 1.00 0.00 O ATOM 640 CB HIS A 464 7.685 -0.891 6.667 1.00 0.00 C ATOM 641 CG HIS A 464 7.755 -2.379 6.505 1.00 0.00 C ATOM 642 ND1 HIS A 464 7.944 -3.243 7.562 1.00 0.00 N ATOM 643 CD2 HIS A 464 7.659 -3.154 5.399 1.00 0.00 C ATOM 644 CE1 HIS A 464 7.963 -4.486 7.114 1.00 0.00 C ATOM 645 NE2 HIS A 464 7.791 -4.459 5.805 1.00 0.00 N ATOM 0 H HIS A 464 5.120 -0.496 6.840 1.00 0.00 H new ATOM 0 HA HIS A 464 7.282 -1.014 8.774 1.00 0.00 H new ATOM 0 HB2 HIS A 464 7.209 -0.460 5.787 1.00 0.00 H new ATOM 0 HB3 HIS A 464 8.698 -0.490 6.710 1.00 0.00 H new ATOM 0 HD1 HIS A 464 8.052 -2.966 8.538 1.00 0.00 H new ATOM 0 HD2 HIS A 464 7.507 -2.810 4.387 1.00 0.00 H new ATOM 0 HE1 HIS A 464 8.096 -5.373 7.716 1.00 0.00 H new ATOM 653 N THR A 465 6.657 1.879 7.280 1.00 0.00 N ATOM 654 CA THR A 465 6.821 3.321 7.411 1.00 0.00 C ATOM 655 C THR A 465 6.887 3.736 8.877 1.00 0.00 C ATOM 656 O THR A 465 7.696 4.583 9.258 1.00 0.00 O ATOM 657 CB THR A 465 5.670 4.082 6.726 1.00 0.00 C ATOM 658 OG1 THR A 465 4.419 3.715 7.318 1.00 0.00 O ATOM 659 CG2 THR A 465 5.637 3.783 5.234 1.00 0.00 C ATOM 0 H THR A 465 6.130 1.587 6.457 1.00 0.00 H new ATOM 0 HA THR A 465 7.760 3.578 6.920 1.00 0.00 H new ATOM 0 HB THR A 465 5.837 5.150 6.864 1.00 0.00 H new ATOM 0 HG1 THR A 465 4.473 2.796 7.653 1.00 0.00 H new ATOM 0 HG21 THR A 465 4.816 4.331 4.771 1.00 0.00 H new ATOM 0 HG22 THR A 465 6.580 4.090 4.781 1.00 0.00 H new ATOM 0 HG23 THR A 465 5.491 2.714 5.080 1.00 0.00 H new ATOM 667 N THR A 466 6.030 3.134 9.697 1.00 0.00 N ATOM 668 CA THR A 466 5.991 3.442 11.121 1.00 0.00 C ATOM 669 C THR A 466 6.063 2.171 11.960 1.00 0.00 C ATOM 670 O THR A 466 6.686 2.151 13.021 1.00 0.00 O ATOM 671 CB THR A 466 4.713 4.217 11.493 1.00 0.00 C ATOM 672 OG1 THR A 466 3.556 3.452 11.140 1.00 0.00 O ATOM 673 CG2 THR A 466 4.673 5.564 10.787 1.00 0.00 C ATOM 0 H THR A 466 5.354 2.431 9.399 1.00 0.00 H new ATOM 0 HA THR A 466 6.860 4.065 11.334 1.00 0.00 H new ATOM 0 HB THR A 466 4.719 4.389 12.569 1.00 0.00 H new ATOM 0 HG1 THR A 466 2.748 3.951 11.381 1.00 0.00 H new ATOM 0 HG21 THR A 466 3.762 6.093 11.065 1.00 0.00 H new ATOM 0 HG22 THR A 466 5.540 6.155 11.082 1.00 0.00 H new ATOM 0 HG23 THR A 466 4.688 5.410 9.708 1.00 0.00 H new ATOM 681 N GLY A 467 5.423 1.111 11.476 1.00 0.00 N ATOM 682 CA GLY A 467 5.428 -0.150 12.195 1.00 0.00 C ATOM 683 C GLY A 467 4.069 -0.822 12.196 1.00 0.00 C ATOM 684 O GLY A 467 3.974 -2.045 12.092 1.00 0.00 O ATOM 0 H GLY A 467 4.901 1.103 10.599 1.00 0.00 H new ATOM 0 HA2 GLY A 467 6.161 -0.819 11.744 1.00 0.00 H new ATOM 0 HA3 GLY A 467 5.745 0.023 13.223 1.00 0.00 H new ATOM 688 N ASN A 468 3.015 -0.022 12.314 1.00 0.00 N ATOM 689 CA ASN A 468 1.655 -0.548 12.331 1.00 0.00 C ATOM 690 C ASN A 468 0.939 -0.245 11.018 1.00 0.00 C ATOM 691 O ASN A 468 1.469 0.458 10.157 1.00 0.00 O ATOM 692 CB ASN A 468 0.870 0.047 13.502 1.00 0.00 C ATOM 693 CG ASN A 468 1.586 -0.130 14.827 1.00 0.00 C ATOM 694 OD1 ASN A 468 2.681 -0.689 14.883 1.00 0.00 O ATOM 695 ND2 ASN A 468 0.968 0.347 15.901 1.00 0.00 N ATOM 0 H ASN A 468 3.076 0.993 12.399 1.00 0.00 H new ATOM 0 HA ASN A 468 1.712 -1.630 12.453 1.00 0.00 H new ATOM 0 HB2 ASN A 468 0.703 1.109 13.322 1.00 0.00 H new ATOM 0 HB3 ASN A 468 -0.111 -0.426 13.556 1.00 0.00 H new ATOM 0 HD21 ASN A 468 1.401 0.257 16.820 1.00 0.00 H new ATOM 0 HD22 ASN A 468 0.061 0.803 15.807 1.00 0.00 H new ATOM 702 N CYS A 469 -0.269 -0.778 10.872 1.00 0.00 N ATOM 703 CA CYS A 469 -1.060 -0.566 9.666 1.00 0.00 C ATOM 704 C CYS A 469 -2.496 -0.188 10.016 1.00 0.00 C ATOM 705 O CYS A 469 -3.154 -0.871 10.801 1.00 0.00 O ATOM 706 CB CYS A 469 -1.049 -1.824 8.796 1.00 0.00 C ATOM 707 SG CYS A 469 -1.535 -1.535 7.064 1.00 0.00 S ATOM 0 H CYS A 469 -0.722 -1.361 11.575 1.00 0.00 H new ATOM 0 HA CYS A 469 -0.613 0.257 9.108 1.00 0.00 H new ATOM 0 HB2 CYS A 469 -0.049 -2.256 8.814 1.00 0.00 H new ATOM 0 HB3 CYS A 469 -1.723 -2.561 9.233 1.00 0.00 H new ATOM 0 HG CYS A 469 -0.575 -1.917 6.275 1.00 0.00 H new ATOM 712 N ILE A 470 -2.976 0.902 9.428 1.00 0.00 N ATOM 713 CA ILE A 470 -4.334 1.369 9.676 1.00 0.00 C ATOM 714 C ILE A 470 -5.359 0.457 9.011 1.00 0.00 C ATOM 715 O ILE A 470 -6.500 0.357 9.461 1.00 0.00 O ATOM 716 CB ILE A 470 -4.537 2.808 9.166 1.00 0.00 C ATOM 717 CG1 ILE A 470 -5.958 3.286 9.472 1.00 0.00 C ATOM 718 CG2 ILE A 470 -4.256 2.885 7.672 1.00 0.00 C ATOM 719 CD1 ILE A 470 -6.195 3.578 10.937 1.00 0.00 C ATOM 0 H ILE A 470 -2.444 1.479 8.776 1.00 0.00 H new ATOM 0 HA ILE A 470 -4.481 1.351 10.756 1.00 0.00 H new ATOM 0 HB ILE A 470 -3.835 3.463 9.682 1.00 0.00 H new ATOM 0 HG12 ILE A 470 -6.162 4.186 8.893 1.00 0.00 H new ATOM 0 HG13 ILE A 470 -6.667 2.527 9.142 1.00 0.00 H new ATOM 0 HG21 ILE A 470 -4.404 3.908 7.326 1.00 0.00 H new ATOM 0 HG22 ILE A 470 -3.227 2.582 7.479 1.00 0.00 H new ATOM 0 HG23 ILE A 470 -4.936 2.220 7.139 1.00 0.00 H new ATOM 0 HD11 ILE A 470 -7.223 3.912 11.080 1.00 0.00 H new ATOM 0 HD12 ILE A 470 -6.023 2.674 11.521 1.00 0.00 H new ATOM 0 HD13 ILE A 470 -5.510 4.359 11.268 1.00 0.00 H new ATOM 731 N ASN A 471 -4.943 -0.208 7.938 1.00 0.00 N ATOM 732 CA ASN A 471 -5.825 -1.114 7.211 1.00 0.00 C ATOM 733 C ASN A 471 -6.516 -2.083 8.166 1.00 0.00 C ATOM 734 O ASN A 471 -7.714 -2.338 8.050 1.00 0.00 O ATOM 735 CB ASN A 471 -5.035 -1.894 6.159 1.00 0.00 C ATOM 736 CG ASN A 471 -4.897 -1.130 4.856 1.00 0.00 C ATOM 737 OD1 ASN A 471 -5.368 0.001 4.734 1.00 0.00 O ATOM 738 ND2 ASN A 471 -4.250 -1.747 3.874 1.00 0.00 N ATOM 0 H ASN A 471 -4.001 -0.137 7.553 1.00 0.00 H new ATOM 0 HA ASN A 471 -6.588 -0.516 6.713 1.00 0.00 H new ATOM 0 HB2 ASN A 471 -4.043 -2.123 6.549 1.00 0.00 H new ATOM 0 HB3 ASN A 471 -5.531 -2.846 5.968 1.00 0.00 H new ATOM 0 HD21 ASN A 471 -4.127 -1.283 2.974 1.00 0.00 H new ATOM 0 HD22 ASN A 471 -3.876 -2.685 4.020 1.00 0.00 H new ATOM 745 N GLY A 472 -5.750 -2.621 9.111 1.00 0.00 N ATOM 746 CA GLY A 472 -6.305 -3.556 10.073 1.00 0.00 C ATOM 747 C GLY A 472 -5.407 -4.755 10.301 1.00 0.00 C ATOM 748 O GLY A 472 -4.259 -4.773 9.856 1.00 0.00 O ATOM 0 H GLY A 472 -4.756 -2.426 9.227 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -6.468 -3.043 11.021 1.00 0.00 H new ATOM 0 HA3 GLY A 472 -7.279 -3.897 9.723 1.00 0.00 H new ATOM 752 N ASP A 473 -5.928 -5.759 10.997 1.00 0.00 N ATOM 753 CA ASP A 473 -5.165 -6.968 11.284 1.00 0.00 C ATOM 754 C ASP A 473 -5.108 -7.878 10.061 1.00 0.00 C ATOM 755 O ASP A 473 -4.146 -8.624 9.875 1.00 0.00 O ATOM 756 CB ASP A 473 -5.783 -7.718 12.465 1.00 0.00 C ATOM 757 CG ASP A 473 -5.523 -7.028 13.790 1.00 0.00 C ATOM 758 OD1 ASP A 473 -5.238 -5.812 13.779 1.00 0.00 O ATOM 759 OD2 ASP A 473 -5.603 -7.703 14.837 1.00 0.00 O ATOM 0 H ASP A 473 -6.876 -5.760 11.373 1.00 0.00 H new ATOM 0 HA ASP A 473 -4.148 -6.673 11.543 1.00 0.00 H new ATOM 0 HB2 ASP A 473 -6.858 -7.809 12.311 1.00 0.00 H new ATOM 0 HB3 ASP A 473 -5.379 -8.730 12.500 1.00 0.00 H new ATOM 764 N ASP A 474 -6.143 -7.811 9.232 1.00 0.00 N ATOM 765 CA ASP A 474 -6.211 -8.629 8.026 1.00 0.00 C ATOM 766 C ASP A 474 -5.826 -7.815 6.795 1.00 0.00 C ATOM 767 O ASP A 474 -6.483 -7.891 5.757 1.00 0.00 O ATOM 768 CB ASP A 474 -7.618 -9.204 7.853 1.00 0.00 C ATOM 769 CG ASP A 474 -8.139 -9.852 9.121 1.00 0.00 C ATOM 770 OD1 ASP A 474 -7.460 -10.759 9.646 1.00 0.00 O ATOM 771 OD2 ASP A 474 -9.225 -9.451 9.589 1.00 0.00 O ATOM 0 H ASP A 474 -6.947 -7.199 9.372 1.00 0.00 H new ATOM 0 HA ASP A 474 -5.502 -9.450 8.133 1.00 0.00 H new ATOM 0 HB2 ASP A 474 -8.298 -8.408 7.550 1.00 0.00 H new ATOM 0 HB3 ASP A 474 -7.610 -9.940 7.049 1.00 0.00 H new ATOM 776 N CYS A 475 -4.756 -7.036 6.918 1.00 0.00 N ATOM 777 CA CYS A 475 -4.283 -6.207 5.817 1.00 0.00 C ATOM 778 C CYS A 475 -4.126 -7.032 4.542 1.00 0.00 C ATOM 779 O CYS A 475 -3.742 -8.200 4.591 1.00 0.00 O ATOM 780 CB CYS A 475 -2.949 -5.552 6.180 1.00 0.00 C ATOM 781 SG CYS A 475 -2.337 -4.369 4.937 1.00 0.00 S ATOM 0 H CYS A 475 -4.200 -6.962 7.770 1.00 0.00 H new ATOM 0 HA CYS A 475 -5.025 -5.429 5.637 1.00 0.00 H new ATOM 0 HB2 CYS A 475 -3.058 -5.036 7.134 1.00 0.00 H new ATOM 0 HB3 CYS A 475 -2.201 -6.332 6.323 1.00 0.00 H new ATOM 0 HG CYS A 475 -1.994 -3.261 5.524 1.00 0.00 H new ATOM 786 N MET A 476 -4.426 -6.415 3.404 1.00 0.00 N ATOM 787 CA MET A 476 -4.317 -7.092 2.117 1.00 0.00 C ATOM 788 C MET A 476 -2.864 -7.436 1.805 1.00 0.00 C ATOM 789 O MET A 476 -2.585 -8.271 0.945 1.00 0.00 O ATOM 790 CB MET A 476 -4.896 -6.215 1.005 1.00 0.00 C ATOM 791 CG MET A 476 -4.070 -4.970 0.721 1.00 0.00 C ATOM 792 SD MET A 476 -2.633 -5.311 -0.313 1.00 0.00 S ATOM 793 CE MET A 476 -3.402 -5.463 -1.923 1.00 0.00 C ATOM 0 H MET A 476 -4.746 -5.448 3.347 1.00 0.00 H new ATOM 0 HA MET A 476 -4.887 -8.019 2.173 1.00 0.00 H new ATOM 0 HB2 MET A 476 -4.975 -6.805 0.092 1.00 0.00 H new ATOM 0 HB3 MET A 476 -5.908 -5.915 1.279 1.00 0.00 H new ATOM 0 HG2 MET A 476 -4.698 -4.226 0.230 1.00 0.00 H new ATOM 0 HG3 MET A 476 -3.739 -4.535 1.664 1.00 0.00 H new ATOM 0 HE1 MET A 476 -2.705 -5.130 -2.692 1.00 0.00 H new ATOM 0 HE2 MET A 476 -3.669 -6.505 -2.102 1.00 0.00 H new ATOM 0 HE3 MET A 476 -4.301 -4.847 -1.957 1.00 0.00 H new ATOM 803 N PHE A 477 -1.943 -6.787 2.509 1.00 0.00 N ATOM 804 CA PHE A 477 -0.518 -7.024 2.306 1.00 0.00 C ATOM 805 C PHE A 477 0.051 -7.902 3.417 1.00 0.00 C ATOM 806 O PHE A 477 -0.529 -8.007 4.498 1.00 0.00 O ATOM 807 CB PHE A 477 0.238 -5.695 2.252 1.00 0.00 C ATOM 808 CG PHE A 477 0.116 -4.988 0.933 1.00 0.00 C ATOM 809 CD1 PHE A 477 0.412 -5.646 -0.250 1.00 0.00 C ATOM 810 CD2 PHE A 477 -0.294 -3.666 0.875 1.00 0.00 C ATOM 811 CE1 PHE A 477 0.300 -4.999 -1.467 1.00 0.00 C ATOM 812 CE2 PHE A 477 -0.408 -3.014 -0.338 1.00 0.00 C ATOM 813 CZ PHE A 477 -0.110 -3.681 -1.510 1.00 0.00 C ATOM 0 H PHE A 477 -2.157 -6.093 3.225 1.00 0.00 H new ATOM 0 HA PHE A 477 -0.393 -7.544 1.356 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -0.135 -5.042 3.041 1.00 0.00 H new ATOM 0 HB3 PHE A 477 1.292 -5.877 2.461 1.00 0.00 H new ATOM 0 HD1 PHE A 477 0.734 -6.676 -0.221 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -0.527 -3.139 1.788 1.00 0.00 H new ATOM 0 HE1 PHE A 477 0.533 -5.523 -2.382 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -0.730 -1.984 -0.369 1.00 0.00 H new ATOM 0 HZ PHE A 477 -0.197 -3.173 -2.459 1.00 0.00 H new ATOM 823 N SER A 478 1.189 -8.530 3.142 1.00 0.00 N ATOM 824 CA SER A 478 1.836 -9.402 4.115 1.00 0.00 C ATOM 825 C SER A 478 2.623 -8.587 5.137 1.00 0.00 C ATOM 826 O SER A 478 3.384 -7.688 4.777 1.00 0.00 O ATOM 827 CB SER A 478 2.765 -10.390 3.408 1.00 0.00 C ATOM 828 OG SER A 478 2.026 -11.398 2.740 1.00 0.00 O ATOM 0 H SER A 478 1.683 -8.451 2.253 1.00 0.00 H new ATOM 0 HA SER A 478 1.059 -9.958 4.641 1.00 0.00 H new ATOM 0 HB2 SER A 478 3.389 -9.857 2.691 1.00 0.00 H new ATOM 0 HB3 SER A 478 3.435 -10.848 4.136 1.00 0.00 H new ATOM 0 HG SER A 478 1.919 -11.154 1.797 1.00 0.00 H new ATOM 834 N HIS A 479 2.435 -8.909 6.413 1.00 0.00 N ATOM 835 CA HIS A 479 3.128 -8.208 7.488 1.00 0.00 C ATOM 836 C HIS A 479 4.316 -9.023 7.991 1.00 0.00 C ATOM 837 O HIS A 479 4.763 -8.851 9.125 1.00 0.00 O ATOM 838 CB HIS A 479 2.166 -7.921 8.641 1.00 0.00 C ATOM 839 CG HIS A 479 1.271 -6.746 8.397 1.00 0.00 C ATOM 840 ND1 HIS A 479 0.542 -6.134 9.395 1.00 0.00 N ATOM 841 CD2 HIS A 479 0.990 -6.068 7.259 1.00 0.00 C ATOM 842 CE1 HIS A 479 -0.150 -5.133 8.882 1.00 0.00 C ATOM 843 NE2 HIS A 479 0.105 -5.071 7.587 1.00 0.00 N ATOM 0 H HIS A 479 1.809 -9.650 6.728 1.00 0.00 H new ATOM 0 HA HIS A 479 3.500 -7.263 7.092 1.00 0.00 H new ATOM 0 HB2 HIS A 479 1.552 -8.804 8.819 1.00 0.00 H new ATOM 0 HB3 HIS A 479 2.743 -7.745 9.549 1.00 0.00 H new ATOM 0 HD2 HIS A 479 1.388 -6.273 6.276 1.00 0.00 H new ATOM 0 HE1 HIS A 479 -0.812 -4.477 9.428 1.00 0.00 H new ATOM 0 HE2 HIS A 479 -0.291 -4.393 6.937 1.00 0.00 H new ATOM 851 N ASP A 480 4.822 -9.909 7.140 1.00 0.00 N ATOM 852 CA ASP A 480 5.958 -10.750 7.498 1.00 0.00 C ATOM 853 C ASP A 480 7.202 -9.904 7.750 1.00 0.00 C ATOM 854 O ASP A 480 7.305 -8.760 7.307 1.00 0.00 O ATOM 855 CB ASP A 480 6.234 -11.769 6.391 1.00 0.00 C ATOM 856 CG ASP A 480 5.319 -12.975 6.473 1.00 0.00 C ATOM 857 OD1 ASP A 480 5.168 -13.531 7.581 1.00 0.00 O ATOM 858 OD2 ASP A 480 4.754 -13.363 5.429 1.00 0.00 O ATOM 0 H ASP A 480 4.463 -10.063 6.198 1.00 0.00 H new ATOM 0 HA ASP A 480 5.710 -11.282 8.417 1.00 0.00 H new ATOM 0 HB2 ASP A 480 6.111 -11.289 5.420 1.00 0.00 H new ATOM 0 HB3 ASP A 480 7.271 -12.098 6.455 1.00 0.00 H new ATOM 863 N PRO A 481 8.170 -10.478 8.480 1.00 0.00 N ATOM 864 CA PRO A 481 9.424 -9.794 8.809 1.00 0.00 C ATOM 865 C PRO A 481 10.320 -9.608 7.589 1.00 0.00 C ATOM 866 O PRO A 481 10.862 -10.575 7.050 1.00 0.00 O ATOM 867 CB PRO A 481 10.086 -10.734 9.820 1.00 0.00 C ATOM 868 CG PRO A 481 9.522 -12.078 9.514 1.00 0.00 C ATOM 869 CD PRO A 481 8.114 -11.838 9.042 1.00 0.00 C ATOM 0 HA PRO A 481 9.251 -8.788 9.191 1.00 0.00 H new ATOM 0 HB2 PRO A 481 11.171 -10.727 9.715 1.00 0.00 H new ATOM 0 HB3 PRO A 481 9.862 -10.435 10.844 1.00 0.00 H new ATOM 0 HG2 PRO A 481 10.110 -12.583 8.747 1.00 0.00 H new ATOM 0 HG3 PRO A 481 9.534 -12.717 10.397 1.00 0.00 H new ATOM 0 HD2 PRO A 481 7.811 -12.570 8.293 1.00 0.00 H new ATOM 0 HD3 PRO A 481 7.398 -11.905 9.862 1.00 0.00 H new ATOM 877 N LEU A 482 10.472 -8.362 7.156 1.00 0.00 N ATOM 878 CA LEU A 482 11.303 -8.049 5.999 1.00 0.00 C ATOM 879 C LEU A 482 12.578 -8.886 6.002 1.00 0.00 C ATOM 880 O LEU A 482 13.273 -8.977 7.015 1.00 0.00 O ATOM 881 CB LEU A 482 11.657 -6.561 5.987 1.00 0.00 C ATOM 882 CG LEU A 482 10.591 -5.622 5.419 1.00 0.00 C ATOM 883 CD1 LEU A 482 10.994 -4.170 5.627 1.00 0.00 C ATOM 884 CD2 LEU A 482 10.361 -5.908 3.943 1.00 0.00 C ATOM 0 H LEU A 482 10.030 -7.551 7.589 1.00 0.00 H new ATOM 0 HA LEU A 482 10.735 -8.288 5.100 1.00 0.00 H new ATOM 0 HB2 LEU A 482 11.877 -6.252 7.009 1.00 0.00 H new ATOM 0 HB3 LEU A 482 12.572 -6.430 5.410 1.00 0.00 H new ATOM 0 HG LEU A 482 9.657 -5.798 5.952 1.00 0.00 H new ATOM 0 HD11 LEU A 482 10.224 -3.516 5.217 1.00 0.00 H new ATOM 0 HD12 LEU A 482 11.107 -3.973 6.693 1.00 0.00 H new ATOM 0 HD13 LEU A 482 11.940 -3.979 5.120 1.00 0.00 H new ATOM 0 HD21 LEU A 482 9.600 -5.231 3.556 1.00 0.00 H new ATOM 0 HD22 LEU A 482 11.291 -5.760 3.394 1.00 0.00 H new ATOM 0 HD23 LEU A 482 10.027 -6.938 3.820 1.00 0.00 H new ATOM 896 N THR A 483 12.882 -9.496 4.860 1.00 0.00 N ATOM 897 CA THR A 483 14.074 -10.325 4.731 1.00 0.00 C ATOM 898 C THR A 483 15.205 -9.560 4.053 1.00 0.00 C ATOM 899 O THR A 483 14.997 -8.469 3.523 1.00 0.00 O ATOM 900 CB THR A 483 13.782 -11.606 3.927 1.00 0.00 C ATOM 901 OG1 THR A 483 13.116 -11.276 2.703 1.00 0.00 O ATOM 902 CG2 THR A 483 12.923 -12.568 4.734 1.00 0.00 C ATOM 0 H THR A 483 12.319 -9.431 4.012 1.00 0.00 H new ATOM 0 HA THR A 483 14.379 -10.600 5.741 1.00 0.00 H new ATOM 0 HB THR A 483 14.732 -12.092 3.704 1.00 0.00 H new ATOM 0 HG1 THR A 483 12.864 -12.100 2.235 1.00 0.00 H new ATOM 0 HG21 THR A 483 12.730 -13.465 4.145 1.00 0.00 H new ATOM 0 HG22 THR A 483 13.446 -12.841 5.651 1.00 0.00 H new ATOM 0 HG23 THR A 483 11.977 -12.088 4.985 1.00 0.00 H new ATOM 910 N GLU A 484 16.401 -10.140 4.074 1.00 0.00 N ATOM 911 CA GLU A 484 17.565 -9.510 3.460 1.00 0.00 C ATOM 912 C GLU A 484 17.304 -9.203 1.988 1.00 0.00 C ATOM 913 O GLU A 484 17.837 -8.238 1.442 1.00 0.00 O ATOM 914 CB GLU A 484 18.791 -10.415 3.595 1.00 0.00 C ATOM 915 CG GLU A 484 18.587 -11.807 3.020 1.00 0.00 C ATOM 916 CD GLU A 484 19.757 -12.730 3.299 1.00 0.00 C ATOM 917 OE1 GLU A 484 19.808 -13.305 4.407 1.00 0.00 O ATOM 918 OE2 GLU A 484 20.622 -12.878 2.410 1.00 0.00 O ATOM 0 H GLU A 484 16.590 -11.043 4.509 1.00 0.00 H new ATOM 0 HA GLU A 484 17.756 -8.571 3.980 1.00 0.00 H new ATOM 0 HB2 GLU A 484 19.636 -9.944 3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 484 19.054 -10.502 4.649 1.00 0.00 H new ATOM 0 HG2 GLU A 484 17.679 -12.240 3.440 1.00 0.00 H new ATOM 0 HG3 GLU A 484 18.436 -11.733 1.943 1.00 0.00 H new ATOM 925 N GLU A 485 16.482 -10.032 1.353 1.00 0.00 N ATOM 926 CA GLU A 485 16.152 -9.850 -0.056 1.00 0.00 C ATOM 927 C GLU A 485 15.058 -8.800 -0.227 1.00 0.00 C ATOM 928 O GLU A 485 15.229 -7.821 -0.954 1.00 0.00 O ATOM 929 CB GLU A 485 15.703 -11.176 -0.673 1.00 0.00 C ATOM 930 CG GLU A 485 14.485 -11.781 0.005 1.00 0.00 C ATOM 931 CD GLU A 485 14.317 -13.256 -0.306 1.00 0.00 C ATOM 932 OE1 GLU A 485 14.136 -13.594 -1.495 1.00 0.00 O ATOM 933 OE2 GLU A 485 14.366 -14.072 0.638 1.00 0.00 O ATOM 0 H GLU A 485 16.032 -10.836 1.791 1.00 0.00 H new ATOM 0 HA GLU A 485 17.048 -9.503 -0.571 1.00 0.00 H new ATOM 0 HB2 GLU A 485 15.480 -11.019 -1.728 1.00 0.00 H new ATOM 0 HB3 GLU A 485 16.527 -11.888 -0.623 1.00 0.00 H new ATOM 0 HG2 GLU A 485 14.571 -11.648 1.083 1.00 0.00 H new ATOM 0 HG3 GLU A 485 13.592 -11.242 -0.312 1.00 0.00 H new ATOM 940 N THR A 486 13.932 -9.011 0.447 1.00 0.00 N ATOM 941 CA THR A 486 12.809 -8.086 0.369 1.00 0.00 C ATOM 942 C THR A 486 13.237 -6.670 0.738 1.00 0.00 C ATOM 943 O THR A 486 12.778 -5.697 0.140 1.00 0.00 O ATOM 944 CB THR A 486 11.658 -8.519 1.296 1.00 0.00 C ATOM 945 OG1 THR A 486 12.068 -8.421 2.665 1.00 0.00 O ATOM 946 CG2 THR A 486 11.227 -9.946 0.992 1.00 0.00 C ATOM 0 H THR A 486 13.774 -9.816 1.054 1.00 0.00 H new ATOM 0 HA THR A 486 12.459 -8.101 -0.663 1.00 0.00 H new ATOM 0 HB THR A 486 10.811 -7.855 1.122 1.00 0.00 H new ATOM 0 HG1 THR A 486 13.041 -8.522 2.723 1.00 0.00 H new ATOM 0 HG21 THR A 486 10.413 -10.230 1.659 1.00 0.00 H new ATOM 0 HG22 THR A 486 10.888 -10.011 -0.042 1.00 0.00 H new ATOM 0 HG23 THR A 486 12.070 -10.620 1.141 1.00 0.00 H new ATOM 954 N ARG A 487 14.121 -6.561 1.725 1.00 0.00 N ATOM 955 CA ARG A 487 14.610 -5.263 2.173 1.00 0.00 C ATOM 956 C ARG A 487 15.134 -4.444 0.997 1.00 0.00 C ATOM 957 O ARG A 487 14.887 -3.242 0.907 1.00 0.00 O ATOM 958 CB ARG A 487 15.716 -5.444 3.215 1.00 0.00 C ATOM 959 CG ARG A 487 15.796 -4.307 4.221 1.00 0.00 C ATOM 960 CD ARG A 487 15.955 -2.962 3.530 1.00 0.00 C ATOM 961 NE ARG A 487 16.262 -1.893 4.477 1.00 0.00 N ATOM 962 CZ ARG A 487 17.488 -1.627 4.913 1.00 0.00 C ATOM 963 NH1 ARG A 487 18.517 -2.348 4.489 1.00 0.00 N ATOM 964 NH2 ARG A 487 17.687 -0.638 5.775 1.00 0.00 N ATOM 0 H ARG A 487 14.513 -7.356 2.229 1.00 0.00 H new ATOM 0 HA ARG A 487 13.777 -4.725 2.626 1.00 0.00 H new ATOM 0 HB2 ARG A 487 15.551 -6.380 3.749 1.00 0.00 H new ATOM 0 HB3 ARG A 487 16.674 -5.534 2.704 1.00 0.00 H new ATOM 0 HG2 ARG A 487 14.895 -4.298 4.834 1.00 0.00 H new ATOM 0 HG3 ARG A 487 16.637 -4.473 4.894 1.00 0.00 H new ATOM 0 HD2 ARG A 487 16.750 -3.028 2.787 1.00 0.00 H new ATOM 0 HD3 ARG A 487 15.037 -2.719 2.994 1.00 0.00 H new ATOM 0 HE ARG A 487 15.493 -1.319 4.822 1.00 0.00 H new ATOM 0 HH11 ARG A 487 18.368 -3.109 3.826 1.00 0.00 H new ATOM 0 HH12 ARG A 487 19.458 -2.142 4.825 1.00 0.00 H new ATOM 0 HH21 ARG A 487 16.898 -0.081 6.103 1.00 0.00 H new ATOM 0 HH22 ARG A 487 18.629 -0.435 6.109 1.00 0.00 H new ATOM 978 N GLU A 488 15.858 -5.104 0.098 1.00 0.00 N ATOM 979 CA GLU A 488 16.417 -4.436 -1.072 1.00 0.00 C ATOM 980 C GLU A 488 15.309 -3.942 -1.997 1.00 0.00 C ATOM 981 O GLU A 488 15.445 -2.906 -2.650 1.00 0.00 O ATOM 982 CB GLU A 488 17.346 -5.384 -1.832 1.00 0.00 C ATOM 983 CG GLU A 488 17.873 -4.805 -3.135 1.00 0.00 C ATOM 984 CD GLU A 488 18.416 -5.869 -4.069 1.00 0.00 C ATOM 985 OE1 GLU A 488 17.649 -6.782 -4.438 1.00 0.00 O ATOM 986 OE2 GLU A 488 19.608 -5.787 -4.431 1.00 0.00 O ATOM 0 H GLU A 488 16.071 -6.100 0.157 1.00 0.00 H new ATOM 0 HA GLU A 488 16.990 -3.575 -0.728 1.00 0.00 H new ATOM 0 HB2 GLU A 488 18.189 -5.643 -1.192 1.00 0.00 H new ATOM 0 HB3 GLU A 488 16.811 -6.310 -2.045 1.00 0.00 H new ATOM 0 HG2 GLU A 488 17.073 -4.261 -3.636 1.00 0.00 H new ATOM 0 HG3 GLU A 488 18.660 -4.084 -2.916 1.00 0.00 H new ATOM 993 N LEU A 489 14.212 -4.689 -2.049 1.00 0.00 N ATOM 994 CA LEU A 489 13.079 -4.328 -2.894 1.00 0.00 C ATOM 995 C LEU A 489 12.529 -2.958 -2.512 1.00 0.00 C ATOM 996 O LEU A 489 12.592 -2.011 -3.297 1.00 0.00 O ATOM 997 CB LEU A 489 11.976 -5.382 -2.781 1.00 0.00 C ATOM 998 CG LEU A 489 12.373 -6.811 -3.154 1.00 0.00 C ATOM 999 CD1 LEU A 489 11.268 -7.787 -2.781 1.00 0.00 C ATOM 1000 CD2 LEU A 489 12.693 -6.906 -4.639 1.00 0.00 C ATOM 0 H LEU A 489 14.083 -5.549 -1.516 1.00 0.00 H new ATOM 0 HA LEU A 489 13.427 -4.285 -3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 489 11.607 -5.385 -1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 489 11.145 -5.079 -3.418 1.00 0.00 H new ATOM 0 HG LEU A 489 13.269 -7.077 -2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 489 11.569 -8.799 -3.054 1.00 0.00 H new ATOM 0 HD12 LEU A 489 11.088 -7.739 -1.707 1.00 0.00 H new ATOM 0 HD13 LEU A 489 10.355 -7.524 -3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 489 12.973 -7.930 -4.886 1.00 0.00 H new ATOM 0 HD22 LEU A 489 11.816 -6.620 -5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 489 13.519 -6.236 -4.877 1.00 0.00 H new ATOM 1012 N LEU A 490 11.992 -2.858 -1.301 1.00 0.00 N ATOM 1013 CA LEU A 490 11.433 -1.602 -0.813 1.00 0.00 C ATOM 1014 C LEU A 490 12.303 -0.421 -1.228 1.00 0.00 C ATOM 1015 O LEU A 490 11.856 0.468 -1.952 1.00 0.00 O ATOM 1016 CB LEU A 490 11.296 -1.640 0.710 1.00 0.00 C ATOM 1017 CG LEU A 490 10.115 -2.441 1.258 1.00 0.00 C ATOM 1018 CD1 LEU A 490 10.170 -2.503 2.777 1.00 0.00 C ATOM 1019 CD2 LEU A 490 8.798 -1.835 0.795 1.00 0.00 C ATOM 0 H LEU A 490 11.932 -3.632 -0.639 1.00 0.00 H new ATOM 0 HA LEU A 490 10.446 -1.475 -1.257 1.00 0.00 H new ATOM 0 HB2 LEU A 490 12.214 -2.053 1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 490 11.214 -0.616 1.073 1.00 0.00 H new ATOM 0 HG LEU A 490 10.180 -3.458 0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 490 9.321 -3.077 3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 490 11.097 -2.984 3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 490 10.131 -1.493 3.184 1.00 0.00 H new ATOM 0 HD21 LEU A 490 7.969 -2.418 1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 490 8.725 -0.808 1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 490 8.756 -1.844 -0.294 1.00 0.00 H new ATOM 1031 N ASP A 491 13.549 -0.419 -0.765 1.00 0.00 N ATOM 1032 CA ASP A 491 14.484 0.651 -1.090 1.00 0.00 C ATOM 1033 C ASP A 491 14.336 1.077 -2.548 1.00 0.00 C ATOM 1034 O ASP A 491 14.363 2.267 -2.864 1.00 0.00 O ATOM 1035 CB ASP A 491 15.921 0.202 -0.821 1.00 0.00 C ATOM 1036 CG ASP A 491 16.198 0.007 0.657 1.00 0.00 C ATOM 1037 OD1 ASP A 491 16.484 1.010 1.345 1.00 0.00 O ATOM 1038 OD2 ASP A 491 16.130 -1.149 1.126 1.00 0.00 O ATOM 0 H ASP A 491 13.934 -1.147 -0.163 1.00 0.00 H new ATOM 0 HA ASP A 491 14.254 1.506 -0.454 1.00 0.00 H new ATOM 0 HB2 ASP A 491 16.112 -0.732 -1.350 1.00 0.00 H new ATOM 0 HB3 ASP A 491 16.612 0.943 -1.223 1.00 0.00 H new ATOM 1043 N LYS A 492 14.182 0.098 -3.433 1.00 0.00 N ATOM 1044 CA LYS A 492 14.030 0.370 -4.857 1.00 0.00 C ATOM 1045 C LYS A 492 12.599 0.788 -5.181 1.00 0.00 C ATOM 1046 O LYS A 492 12.365 1.570 -6.103 1.00 0.00 O ATOM 1047 CB LYS A 492 14.409 -0.865 -5.676 1.00 0.00 C ATOM 1048 CG LYS A 492 14.680 -0.564 -7.140 1.00 0.00 C ATOM 1049 CD LYS A 492 16.093 -0.047 -7.351 1.00 0.00 C ATOM 1050 CE LYS A 492 16.385 0.194 -8.824 1.00 0.00 C ATOM 1051 NZ LYS A 492 15.904 1.530 -9.274 1.00 0.00 N ATOM 0 H LYS A 492 14.159 -0.892 -3.189 1.00 0.00 H new ATOM 0 HA LYS A 492 14.698 1.191 -5.118 1.00 0.00 H new ATOM 0 HB2 LYS A 492 15.296 -1.323 -5.238 1.00 0.00 H new ATOM 0 HB3 LYS A 492 13.605 -1.597 -5.607 1.00 0.00 H new ATOM 0 HG2 LYS A 492 14.530 -1.467 -7.732 1.00 0.00 H new ATOM 0 HG3 LYS A 492 13.964 0.175 -7.499 1.00 0.00 H new ATOM 0 HD2 LYS A 492 16.229 0.881 -6.796 1.00 0.00 H new ATOM 0 HD3 LYS A 492 16.808 -0.766 -6.950 1.00 0.00 H new ATOM 0 HE2 LYS A 492 17.458 0.117 -8.999 1.00 0.00 H new ATOM 0 HE3 LYS A 492 15.908 -0.584 -9.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 16.122 1.656 -10.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 14.876 1.595 -9.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 16.378 2.273 -8.722 1.00 0.00 H new ATOM 1065 N MET A 493 11.646 0.264 -4.417 1.00 0.00 N ATOM 1066 CA MET A 493 10.239 0.586 -4.622 1.00 0.00 C ATOM 1067 C MET A 493 9.980 2.070 -4.380 1.00 0.00 C ATOM 1068 O MET A 493 9.517 2.783 -5.271 1.00 0.00 O ATOM 1069 CB MET A 493 9.361 -0.255 -3.695 1.00 0.00 C ATOM 1070 CG MET A 493 7.879 -0.176 -4.023 1.00 0.00 C ATOM 1071 SD MET A 493 7.107 1.326 -3.391 1.00 0.00 S ATOM 1072 CE MET A 493 6.797 0.857 -1.690 1.00 0.00 C ATOM 0 H MET A 493 11.823 -0.385 -3.650 1.00 0.00 H new ATOM 0 HA MET A 493 9.986 0.355 -5.657 1.00 0.00 H new ATOM 0 HB2 MET A 493 9.682 -1.295 -3.750 1.00 0.00 H new ATOM 0 HB3 MET A 493 9.515 0.072 -2.667 1.00 0.00 H new ATOM 0 HG2 MET A 493 7.747 -0.220 -5.104 1.00 0.00 H new ATOM 0 HG3 MET A 493 7.371 -1.045 -3.604 1.00 0.00 H new ATOM 0 HE1 MET A 493 5.741 0.617 -1.565 1.00 0.00 H new ATOM 0 HE2 MET A 493 7.400 -0.015 -1.437 1.00 0.00 H new ATOM 0 HE3 MET A 493 7.061 1.684 -1.031 1.00 0.00 H new ATOM 1082 N LEU A 494 10.279 2.528 -3.170 1.00 0.00 N ATOM 1083 CA LEU A 494 10.078 3.927 -2.810 1.00 0.00 C ATOM 1084 C LEU A 494 10.545 4.850 -3.932 1.00 0.00 C ATOM 1085 O LEU A 494 9.842 5.786 -4.311 1.00 0.00 O ATOM 1086 CB LEU A 494 10.829 4.256 -1.519 1.00 0.00 C ATOM 1087 CG LEU A 494 10.143 3.837 -0.218 1.00 0.00 C ATOM 1088 CD1 LEU A 494 9.839 2.347 -0.231 1.00 0.00 C ATOM 1089 CD2 LEU A 494 11.008 4.196 0.981 1.00 0.00 C ATOM 0 H LEU A 494 10.662 1.951 -2.421 1.00 0.00 H new ATOM 0 HA LEU A 494 9.011 4.086 -2.653 1.00 0.00 H new ATOM 0 HB2 LEU A 494 11.808 3.779 -1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 494 11.000 5.332 -1.486 1.00 0.00 H new ATOM 0 HG LEU A 494 9.201 4.379 -0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 494 9.351 2.067 0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 494 9.180 2.117 -1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 494 10.768 1.787 -0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 494 10.504 3.890 1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 494 11.966 3.682 0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 494 11.174 5.273 1.000 1.00 0.00 H new