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 180:sc= 0.959 USER MOD Set 1.2: A 486 THR OG1 : rot -77:sc= 2.08 USER MOD Set 2.1: A 460 CYS SG : rot 90:sc= 0.793 USER MOD Set 2.2: A 469 CYS SG : rot 113:sc= 0.638 USER MOD Set 2.3: A 471 ASN : amide:sc= 0.443 K(o=-0.018,f=-0.94) USER MOD Set 2.4: A 475 CYS SG : rot 36:sc= -0.974 USER MOD Set 2.5: A 479 HIS : no HD1:sc= -0.916 K(o=-0.018,f=-0.8) USER MOD Set 3.1: A 433 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 438 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.3: A 453 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 437 CYS SG : rot 136:sc= 0.924 USER MOD Set 4.2: A 445 CYS SG : rot -96:sc= 1.2 USER MOD Set 4.3: A 451 CYS SG : rot -170:sc= 1.62 USER MOD Set 4.4: A 455 HIS : no HE2:sc= -2.01! C(o=1.7!,f=-4.4!) USER MOD Single : A 440 TYR OH : rot -150:sc= 0.0199 USER MOD Single : A 442 THR OG1 : rot 180:sc= 0 USER MOD Single : A 450 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 454 MET CE :methyl -164:sc= -0.903 (180deg=-1.32) USER MOD Single : A 461 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 463 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 HIS : no HE2:sc= -3.36! K(o=-3.4!,f=-2.2) USER MOD Single : A 465 THR OG1 : rot -31:sc= 0.147 USER MOD Single : A 466 THR OG1 : rot 180:sc=-0.00385 USER MOD Single : A 468 ASN : amide:sc= -0.583 K(o=-0.58,f=-3.1!) USER MOD Single : A 476 MET CE :methyl -176:sc= -9.95! (180deg=-10.6!) USER MOD Single : A 478 SER OG : rot 159:sc= -0.608 USER MOD Single : A 492 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 493 MET CE :methyl 146:sc= -1.03 (180deg=-4.37!) USER MOD ----------------------------------------------------------------- ATOM 136 N LYS A 433 9.475 -9.889 -11.180 1.00 0.00 N ATOM 137 CA LYS A 433 9.823 -8.516 -11.526 1.00 0.00 C ATOM 138 C LYS A 433 10.284 -7.744 -10.294 1.00 0.00 C ATOM 139 O LYS A 433 10.937 -6.707 -10.409 1.00 0.00 O ATOM 140 CB LYS A 433 8.624 -7.810 -12.164 1.00 0.00 C ATOM 141 CG LYS A 433 8.525 -8.016 -13.666 1.00 0.00 C ATOM 142 CD LYS A 433 7.904 -6.812 -14.354 1.00 0.00 C ATOM 143 CE LYS A 433 8.962 -5.806 -14.781 1.00 0.00 C ATOM 144 NZ LYS A 433 8.511 -4.983 -15.937 1.00 0.00 N ATOM 0 HA LYS A 433 10.644 -8.545 -12.243 1.00 0.00 H new ATOM 0 HB2 LYS A 433 7.709 -8.171 -11.695 1.00 0.00 H new ATOM 0 HB3 LYS A 433 8.689 -6.742 -11.956 1.00 0.00 H new ATOM 0 HG2 LYS A 433 9.519 -8.198 -14.076 1.00 0.00 H new ATOM 0 HG3 LYS A 433 7.927 -8.903 -13.874 1.00 0.00 H new ATOM 0 HD2 LYS A 433 7.340 -7.141 -15.227 1.00 0.00 H new ATOM 0 HD3 LYS A 433 7.195 -6.332 -13.679 1.00 0.00 H new ATOM 0 HE2 LYS A 433 9.202 -5.153 -13.942 1.00 0.00 H new ATOM 0 HE3 LYS A 433 9.878 -6.333 -15.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 9.260 -4.310 -16.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 8.307 -5.604 -16.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 7.651 -4.460 -15.676 1.00 0.00 H new ATOM 158 N ARG A 434 9.942 -8.258 -9.117 1.00 0.00 N ATOM 159 CA ARG A 434 10.322 -7.617 -7.864 1.00 0.00 C ATOM 160 C ARG A 434 9.771 -6.196 -7.792 1.00 0.00 C ATOM 161 O ARG A 434 10.436 -5.288 -7.296 1.00 0.00 O ATOM 162 CB ARG A 434 11.845 -7.593 -7.720 1.00 0.00 C ATOM 163 CG ARG A 434 12.415 -8.843 -7.068 1.00 0.00 C ATOM 164 CD ARG A 434 12.438 -10.015 -8.036 1.00 0.00 C ATOM 165 NE ARG A 434 13.456 -9.852 -9.071 1.00 0.00 N ATOM 166 CZ ARG A 434 14.026 -10.868 -9.708 1.00 0.00 C ATOM 167 NH1 ARG A 434 13.678 -12.115 -9.419 1.00 0.00 N ATOM 168 NH2 ARG A 434 14.945 -10.639 -10.637 1.00 0.00 N ATOM 0 H ARG A 434 9.403 -9.116 -9.005 1.00 0.00 H new ATOM 0 HA ARG A 434 9.896 -8.196 -7.045 1.00 0.00 H new ATOM 0 HB2 ARG A 434 12.293 -7.471 -8.706 1.00 0.00 H new ATOM 0 HB3 ARG A 434 12.132 -6.723 -7.130 1.00 0.00 H new ATOM 0 HG2 ARG A 434 13.426 -8.642 -6.715 1.00 0.00 H new ATOM 0 HG3 ARG A 434 11.818 -9.103 -6.194 1.00 0.00 H new ATOM 0 HD2 ARG A 434 12.626 -10.936 -7.485 1.00 0.00 H new ATOM 0 HD3 ARG A 434 11.459 -10.118 -8.504 1.00 0.00 H new ATOM 0 HE ARG A 434 13.745 -8.905 -9.318 1.00 0.00 H new ATOM 0 HH11 ARG A 434 12.971 -12.295 -8.706 1.00 0.00 H new ATOM 0 HH12 ARG A 434 14.117 -12.894 -9.910 1.00 0.00 H new ATOM 0 HH21 ARG A 434 15.215 -9.681 -10.863 1.00 0.00 H new ATOM 0 HH22 ARG A 434 15.382 -11.420 -11.126 1.00 0.00 H new ATOM 182 N GLU A 435 8.552 -6.014 -8.290 1.00 0.00 N ATOM 183 CA GLU A 435 7.913 -4.703 -8.282 1.00 0.00 C ATOM 184 C GLU A 435 6.430 -4.822 -7.942 1.00 0.00 C ATOM 185 O GLU A 435 5.730 -5.689 -8.467 1.00 0.00 O ATOM 186 CB GLU A 435 8.083 -4.020 -9.641 1.00 0.00 C ATOM 187 CG GLU A 435 9.506 -3.567 -9.921 1.00 0.00 C ATOM 188 CD GLU A 435 9.778 -2.160 -9.424 1.00 0.00 C ATOM 189 OE1 GLU A 435 9.658 -1.927 -8.203 1.00 0.00 O ATOM 190 OE2 GLU A 435 10.112 -1.292 -10.257 1.00 0.00 O ATOM 0 H GLU A 435 7.988 -6.756 -8.703 1.00 0.00 H new ATOM 0 HA GLU A 435 8.396 -4.097 -7.516 1.00 0.00 H new ATOM 0 HB2 GLU A 435 7.769 -4.708 -10.426 1.00 0.00 H new ATOM 0 HB3 GLU A 435 7.420 -3.157 -9.690 1.00 0.00 H new ATOM 0 HG2 GLU A 435 10.203 -4.257 -9.446 1.00 0.00 H new ATOM 0 HG3 GLU A 435 9.693 -3.612 -10.994 1.00 0.00 H new ATOM 197 N LEU A 436 5.959 -3.947 -7.062 1.00 0.00 N ATOM 198 CA LEU A 436 4.559 -3.953 -6.650 1.00 0.00 C ATOM 199 C LEU A 436 3.640 -3.717 -7.844 1.00 0.00 C ATOM 200 O LEU A 436 3.686 -2.663 -8.479 1.00 0.00 O ATOM 201 CB LEU A 436 4.316 -2.883 -5.585 1.00 0.00 C ATOM 202 CG LEU A 436 2.867 -2.712 -5.125 1.00 0.00 C ATOM 203 CD1 LEU A 436 2.399 -3.944 -4.366 1.00 0.00 C ATOM 204 CD2 LEU A 436 2.726 -1.466 -4.263 1.00 0.00 C ATOM 0 H LEU A 436 6.525 -3.224 -6.619 1.00 0.00 H new ATOM 0 HA LEU A 436 4.333 -4.933 -6.229 1.00 0.00 H new ATOM 0 HB2 LEU A 436 4.927 -3.120 -4.714 1.00 0.00 H new ATOM 0 HB3 LEU A 436 4.669 -1.927 -5.972 1.00 0.00 H new ATOM 0 HG LEU A 436 2.237 -2.593 -6.006 1.00 0.00 H new ATOM 0 HD11 LEU A 436 1.366 -3.804 -4.047 1.00 0.00 H new ATOM 0 HD12 LEU A 436 2.463 -4.817 -5.015 1.00 0.00 H new ATOM 0 HD13 LEU A 436 3.032 -4.095 -3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 436 1.689 -1.359 -3.944 1.00 0.00 H new ATOM 0 HD22 LEU A 436 3.368 -1.555 -3.386 1.00 0.00 H new ATOM 0 HD23 LEU A 436 3.020 -0.589 -4.840 1.00 0.00 H new ATOM 216 N CYS A 437 2.803 -4.705 -8.144 1.00 0.00 N ATOM 217 CA CYS A 437 1.871 -4.606 -9.261 1.00 0.00 C ATOM 218 C CYS A 437 0.940 -3.409 -9.087 1.00 0.00 C ATOM 219 O CYS A 437 0.283 -3.264 -8.056 1.00 0.00 O ATOM 220 CB CYS A 437 1.050 -5.891 -9.383 1.00 0.00 C ATOM 221 SG CYS A 437 0.063 -6.001 -10.910 1.00 0.00 S ATOM 0 H CYS A 437 2.751 -5.584 -7.629 1.00 0.00 H new ATOM 0 HA CYS A 437 2.450 -4.465 -10.174 1.00 0.00 H new ATOM 0 HB2 CYS A 437 1.724 -6.746 -9.337 1.00 0.00 H new ATOM 0 HB3 CYS A 437 0.382 -5.965 -8.525 1.00 0.00 H new ATOM 0 HG CYS A 437 0.171 -7.195 -11.412 1.00 0.00 H new ATOM 226 N LYS A 438 0.888 -2.555 -10.103 1.00 0.00 N ATOM 227 CA LYS A 438 0.037 -1.371 -10.066 1.00 0.00 C ATOM 228 C LYS A 438 -1.403 -1.725 -10.424 1.00 0.00 C ATOM 229 O LYS A 438 -2.141 -0.898 -10.959 1.00 0.00 O ATOM 230 CB LYS A 438 0.567 -0.307 -11.029 1.00 0.00 C ATOM 231 CG LYS A 438 0.468 -0.706 -12.491 1.00 0.00 C ATOM 232 CD LYS A 438 1.738 -1.389 -12.970 1.00 0.00 C ATOM 233 CE LYS A 438 1.979 -1.142 -14.451 1.00 0.00 C ATOM 234 NZ LYS A 438 2.883 -2.167 -15.044 1.00 0.00 N ATOM 0 H LYS A 438 1.426 -2.660 -10.963 1.00 0.00 H new ATOM 0 HA LYS A 438 0.053 -0.974 -9.051 1.00 0.00 H new ATOM 0 HB2 LYS A 438 0.012 0.619 -10.875 1.00 0.00 H new ATOM 0 HB3 LYS A 438 1.609 -0.098 -10.788 1.00 0.00 H new ATOM 0 HG2 LYS A 438 -0.381 -1.376 -12.630 1.00 0.00 H new ATOM 0 HG3 LYS A 438 0.278 0.179 -13.099 1.00 0.00 H new ATOM 0 HD2 LYS A 438 2.589 -1.022 -12.396 1.00 0.00 H new ATOM 0 HD3 LYS A 438 1.668 -2.461 -12.786 1.00 0.00 H new ATOM 0 HE2 LYS A 438 1.026 -1.148 -14.980 1.00 0.00 H new ATOM 0 HE3 LYS A 438 2.413 -0.152 -14.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 438 3.023 -1.964 -16.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 438 3.801 -2.144 -14.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 438 2.457 -3.110 -14.936 1.00 0.00 H new ATOM 248 N PHE A 439 -1.796 -2.959 -10.125 1.00 0.00 N ATOM 249 CA PHE A 439 -3.149 -3.421 -10.415 1.00 0.00 C ATOM 250 C PHE A 439 -3.735 -4.171 -9.222 1.00 0.00 C ATOM 251 O PHE A 439 -4.903 -3.992 -8.875 1.00 0.00 O ATOM 252 CB PHE A 439 -3.147 -4.325 -11.649 1.00 0.00 C ATOM 253 CG PHE A 439 -2.582 -3.666 -12.874 1.00 0.00 C ATOM 254 CD1 PHE A 439 -3.110 -2.473 -13.341 1.00 0.00 C ATOM 255 CD2 PHE A 439 -1.523 -4.240 -13.560 1.00 0.00 C ATOM 256 CE1 PHE A 439 -2.592 -1.864 -14.469 1.00 0.00 C ATOM 257 CE2 PHE A 439 -1.001 -3.635 -14.687 1.00 0.00 C ATOM 258 CZ PHE A 439 -1.536 -2.446 -15.143 1.00 0.00 C ATOM 0 H PHE A 439 -1.198 -3.656 -9.682 1.00 0.00 H new ATOM 0 HA PHE A 439 -3.770 -2.548 -10.613 1.00 0.00 H new ATOM 0 HB2 PHE A 439 -2.570 -5.223 -11.430 1.00 0.00 H new ATOM 0 HB3 PHE A 439 -4.168 -4.645 -11.857 1.00 0.00 H new ATOM 0 HD1 PHE A 439 -3.936 -2.014 -12.818 1.00 0.00 H new ATOM 0 HD2 PHE A 439 -1.101 -5.170 -13.210 1.00 0.00 H new ATOM 0 HE1 PHE A 439 -3.013 -0.934 -14.823 1.00 0.00 H new ATOM 0 HE2 PHE A 439 -0.175 -4.092 -15.211 1.00 0.00 H new ATOM 0 HZ PHE A 439 -1.130 -1.972 -16.024 1.00 0.00 H new ATOM 268 N TYR A 440 -2.916 -5.010 -8.598 1.00 0.00 N ATOM 269 CA TYR A 440 -3.352 -5.790 -7.446 1.00 0.00 C ATOM 270 C TYR A 440 -3.641 -4.884 -6.253 1.00 0.00 C ATOM 271 O TYR A 440 -4.378 -5.257 -5.340 1.00 0.00 O ATOM 272 CB TYR A 440 -2.289 -6.823 -7.070 1.00 0.00 C ATOM 273 CG TYR A 440 -2.597 -7.571 -5.793 1.00 0.00 C ATOM 274 CD1 TYR A 440 -3.729 -8.370 -5.688 1.00 0.00 C ATOM 275 CD2 TYR A 440 -1.756 -7.478 -4.690 1.00 0.00 C ATOM 276 CE1 TYR A 440 -4.014 -9.055 -4.522 1.00 0.00 C ATOM 277 CE2 TYR A 440 -2.033 -8.161 -3.522 1.00 0.00 C ATOM 278 CZ TYR A 440 -3.163 -8.947 -3.442 1.00 0.00 C ATOM 279 OH TYR A 440 -3.443 -9.627 -2.279 1.00 0.00 O ATOM 0 H TYR A 440 -1.946 -5.167 -8.871 1.00 0.00 H new ATOM 0 HA TYR A 440 -4.272 -6.308 -7.718 1.00 0.00 H new ATOM 0 HB2 TYR A 440 -2.186 -7.539 -7.885 1.00 0.00 H new ATOM 0 HB3 TYR A 440 -1.328 -6.321 -6.964 1.00 0.00 H new ATOM 0 HD1 TYR A 440 -4.397 -8.457 -6.532 1.00 0.00 H new ATOM 0 HD2 TYR A 440 -0.871 -6.861 -4.747 1.00 0.00 H new ATOM 0 HE1 TYR A 440 -4.898 -9.672 -4.457 1.00 0.00 H new ATOM 0 HE2 TYR A 440 -1.368 -8.080 -2.675 1.00 0.00 H new ATOM 0 HH TYR A 440 -3.088 -9.128 -1.514 1.00 0.00 H new ATOM 289 N ILE A 441 -3.055 -3.691 -6.269 1.00 0.00 N ATOM 290 CA ILE A 441 -3.250 -2.731 -5.190 1.00 0.00 C ATOM 291 C ILE A 441 -4.733 -2.494 -4.926 1.00 0.00 C ATOM 292 O ILE A 441 -5.142 -2.250 -3.790 1.00 0.00 O ATOM 293 CB ILE A 441 -2.575 -1.383 -5.507 1.00 0.00 C ATOM 294 CG1 ILE A 441 -1.079 -1.584 -5.759 1.00 0.00 C ATOM 295 CG2 ILE A 441 -2.798 -0.398 -4.370 1.00 0.00 C ATOM 296 CD1 ILE A 441 -0.417 -0.405 -6.437 1.00 0.00 C ATOM 0 H ILE A 441 -2.442 -3.367 -7.017 1.00 0.00 H new ATOM 0 HA ILE A 441 -2.789 -3.159 -4.300 1.00 0.00 H new ATOM 0 HB ILE A 441 -3.025 -0.972 -6.411 1.00 0.00 H new ATOM 0 HG12 ILE A 441 -0.581 -1.773 -4.808 1.00 0.00 H new ATOM 0 HG13 ILE A 441 -0.939 -2.473 -6.374 1.00 0.00 H new ATOM 0 HG21 ILE A 441 -2.315 0.549 -4.609 1.00 0.00 H new ATOM 0 HG22 ILE A 441 -3.867 -0.236 -4.234 1.00 0.00 H new ATOM 0 HG23 ILE A 441 -2.372 -0.801 -3.451 1.00 0.00 H new ATOM 0 HD11 ILE A 441 0.642 -0.617 -6.584 1.00 0.00 H new ATOM 0 HD12 ILE A 441 -0.889 -0.229 -7.403 1.00 0.00 H new ATOM 0 HD13 ILE A 441 -0.526 0.482 -5.813 1.00 0.00 H new ATOM 308 N THR A 442 -5.536 -2.568 -5.983 1.00 0.00 N ATOM 309 CA THR A 442 -6.974 -2.363 -5.866 1.00 0.00 C ATOM 310 C THR A 442 -7.732 -3.674 -6.038 1.00 0.00 C ATOM 311 O THR A 442 -8.955 -3.682 -6.178 1.00 0.00 O ATOM 312 CB THR A 442 -7.483 -1.348 -6.907 1.00 0.00 C ATOM 313 OG1 THR A 442 -7.135 -1.783 -8.226 1.00 0.00 O ATOM 314 CG2 THR A 442 -6.894 0.031 -6.651 1.00 0.00 C ATOM 0 H THR A 442 -5.214 -2.768 -6.930 1.00 0.00 H new ATOM 0 HA THR A 442 -7.157 -1.969 -4.866 1.00 0.00 H new ATOM 0 HB THR A 442 -8.568 -1.285 -6.820 1.00 0.00 H new ATOM 0 HG1 THR A 442 -7.463 -1.133 -8.882 1.00 0.00 H new ATOM 0 HG21 THR A 442 -7.268 0.731 -7.398 1.00 0.00 H new ATOM 0 HG22 THR A 442 -7.185 0.372 -5.657 1.00 0.00 H new ATOM 0 HG23 THR A 442 -5.807 -0.020 -6.713 1.00 0.00 H new ATOM 322 N GLY A 443 -6.999 -4.783 -6.026 1.00 0.00 N ATOM 323 CA GLY A 443 -7.620 -6.085 -6.182 1.00 0.00 C ATOM 324 C GLY A 443 -8.005 -6.376 -7.619 1.00 0.00 C ATOM 325 O GLY A 443 -8.395 -7.496 -7.950 1.00 0.00 O ATOM 0 H GLY A 443 -5.986 -4.803 -5.911 1.00 0.00 H new ATOM 0 HA2 GLY A 443 -6.934 -6.856 -5.830 1.00 0.00 H new ATOM 0 HA3 GLY A 443 -8.509 -6.138 -5.553 1.00 0.00 H new ATOM 329 N PHE A 444 -7.896 -5.366 -8.475 1.00 0.00 N ATOM 330 CA PHE A 444 -8.238 -5.518 -9.884 1.00 0.00 C ATOM 331 C PHE A 444 -6.984 -5.726 -10.729 1.00 0.00 C ATOM 332 O PHE A 444 -6.282 -4.772 -11.064 1.00 0.00 O ATOM 333 CB PHE A 444 -9.003 -4.290 -10.381 1.00 0.00 C ATOM 334 CG PHE A 444 -8.936 -4.103 -11.870 1.00 0.00 C ATOM 335 CD1 PHE A 444 -9.353 -5.109 -12.727 1.00 0.00 C ATOM 336 CD2 PHE A 444 -8.456 -2.922 -12.412 1.00 0.00 C ATOM 337 CE1 PHE A 444 -9.293 -4.941 -14.097 1.00 0.00 C ATOM 338 CE2 PHE A 444 -8.394 -2.748 -13.782 1.00 0.00 C ATOM 339 CZ PHE A 444 -8.812 -3.759 -14.626 1.00 0.00 C ATOM 0 H PHE A 444 -7.573 -4.433 -8.218 1.00 0.00 H new ATOM 0 HA PHE A 444 -8.873 -6.398 -9.984 1.00 0.00 H new ATOM 0 HB2 PHE A 444 -10.047 -4.376 -10.080 1.00 0.00 H new ATOM 0 HB3 PHE A 444 -8.603 -3.401 -9.893 1.00 0.00 H new ATOM 0 HD1 PHE A 444 -9.729 -6.035 -12.319 1.00 0.00 H new ATOM 0 HD2 PHE A 444 -8.127 -2.129 -11.757 1.00 0.00 H new ATOM 0 HE1 PHE A 444 -9.622 -5.733 -14.754 1.00 0.00 H new ATOM 0 HE2 PHE A 444 -8.019 -1.822 -14.192 1.00 0.00 H new ATOM 0 HZ PHE A 444 -8.763 -3.625 -15.697 1.00 0.00 H new ATOM 349 N CYS A 445 -6.709 -6.981 -11.069 1.00 0.00 N ATOM 350 CA CYS A 445 -5.541 -7.317 -11.874 1.00 0.00 C ATOM 351 C CYS A 445 -5.898 -8.333 -12.954 1.00 0.00 C ATOM 352 O CYS A 445 -6.298 -9.458 -12.655 1.00 0.00 O ATOM 353 CB CYS A 445 -4.426 -7.872 -10.984 1.00 0.00 C ATOM 354 SG CYS A 445 -2.951 -8.424 -11.899 1.00 0.00 S ATOM 0 H CYS A 445 -7.280 -7.782 -10.799 1.00 0.00 H new ATOM 0 HA CYS A 445 -5.191 -6.406 -12.360 1.00 0.00 H new ATOM 0 HB2 CYS A 445 -4.131 -7.105 -10.269 1.00 0.00 H new ATOM 0 HB3 CYS A 445 -4.818 -8.710 -10.408 1.00 0.00 H new ATOM 0 HG CYS A 445 -3.025 -9.705 -12.109 1.00 0.00 H new ATOM 359 N ALA A 446 -5.750 -7.928 -14.211 1.00 0.00 N ATOM 360 CA ALA A 446 -6.055 -8.804 -15.337 1.00 0.00 C ATOM 361 C ALA A 446 -5.480 -10.199 -15.118 1.00 0.00 C ATOM 362 O ALA A 446 -6.222 -11.166 -14.947 1.00 0.00 O ATOM 363 CB ALA A 446 -5.519 -8.207 -16.630 1.00 0.00 C ATOM 0 H ALA A 446 -5.421 -7.000 -14.476 1.00 0.00 H new ATOM 0 HA ALA A 446 -7.139 -8.894 -15.413 1.00 0.00 H new ATOM 0 HB1 ALA A 446 -5.754 -8.871 -17.462 1.00 0.00 H new ATOM 0 HB2 ALA A 446 -5.981 -7.234 -16.801 1.00 0.00 H new ATOM 0 HB3 ALA A 446 -4.438 -8.087 -16.555 1.00 0.00 H new ATOM 369 N ARG A 447 -4.154 -10.296 -15.126 1.00 0.00 N ATOM 370 CA ARG A 447 -3.481 -11.574 -14.930 1.00 0.00 C ATOM 371 C ARG A 447 -3.299 -11.871 -13.444 1.00 0.00 C ATOM 372 O ARG A 447 -2.569 -11.169 -12.746 1.00 0.00 O ATOM 373 CB ARG A 447 -2.120 -11.569 -15.630 1.00 0.00 C ATOM 374 CG ARG A 447 -2.212 -11.406 -17.138 1.00 0.00 C ATOM 375 CD ARG A 447 -0.857 -11.080 -17.747 1.00 0.00 C ATOM 376 NE ARG A 447 -0.933 -10.913 -19.195 1.00 0.00 N ATOM 377 CZ ARG A 447 0.104 -11.075 -20.010 1.00 0.00 C ATOM 378 NH1 ARG A 447 1.290 -11.408 -19.520 1.00 0.00 N ATOM 379 NH2 ARG A 447 -0.045 -10.905 -21.317 1.00 0.00 N ATOM 0 H ARG A 447 -3.525 -9.505 -15.266 1.00 0.00 H new ATOM 0 HA ARG A 447 -4.104 -12.355 -15.365 1.00 0.00 H new ATOM 0 HB2 ARG A 447 -1.514 -10.760 -15.222 1.00 0.00 H new ATOM 0 HB3 ARG A 447 -1.601 -12.501 -15.405 1.00 0.00 H new ATOM 0 HG2 ARG A 447 -2.600 -12.323 -17.581 1.00 0.00 H new ATOM 0 HG3 ARG A 447 -2.920 -10.612 -17.377 1.00 0.00 H new ATOM 0 HD2 ARG A 447 -0.468 -10.167 -17.297 1.00 0.00 H new ATOM 0 HD3 ARG A 447 -0.152 -11.877 -17.511 1.00 0.00 H new ATOM 0 HE ARG A 447 -1.832 -10.658 -19.604 1.00 0.00 H new ATOM 0 HH11 ARG A 447 1.408 -11.540 -18.516 1.00 0.00 H new ATOM 0 HH12 ARG A 447 2.085 -11.532 -20.147 1.00 0.00 H new ATOM 0 HH21 ARG A 447 -0.956 -10.650 -21.697 1.00 0.00 H new ATOM 0 HH22 ARG A 447 0.752 -11.030 -21.942 1.00 0.00 H new ATOM 393 N ALA A 448 -3.970 -12.915 -12.969 1.00 0.00 N ATOM 394 CA ALA A 448 -3.882 -13.306 -11.568 1.00 0.00 C ATOM 395 C ALA A 448 -2.623 -14.126 -11.304 1.00 0.00 C ATOM 396 O ALA A 448 -1.651 -13.623 -10.742 1.00 0.00 O ATOM 397 CB ALA A 448 -5.120 -14.091 -11.160 1.00 0.00 C ATOM 0 H ALA A 448 -4.581 -13.505 -13.534 1.00 0.00 H new ATOM 0 HA ALA A 448 -3.826 -12.399 -10.967 1.00 0.00 H new ATOM 0 HB1 ALA A 448 -5.040 -14.377 -10.111 1.00 0.00 H new ATOM 0 HB2 ALA A 448 -6.006 -13.472 -11.301 1.00 0.00 H new ATOM 0 HB3 ALA A 448 -5.201 -14.987 -11.775 1.00 0.00 H new ATOM 403 N GLU A 449 -2.649 -15.390 -11.715 1.00 0.00 N ATOM 404 CA GLU A 449 -1.509 -16.279 -11.521 1.00 0.00 C ATOM 405 C GLU A 449 -0.456 -16.057 -12.603 1.00 0.00 C ATOM 406 O GLU A 449 0.604 -16.680 -12.588 1.00 0.00 O ATOM 407 CB GLU A 449 -1.966 -17.739 -11.529 1.00 0.00 C ATOM 408 CG GLU A 449 -3.106 -18.026 -10.567 1.00 0.00 C ATOM 409 CD GLU A 449 -2.619 -18.387 -9.177 1.00 0.00 C ATOM 410 OE1 GLU A 449 -2.145 -17.482 -8.460 1.00 0.00 O ATOM 411 OE2 GLU A 449 -2.714 -19.576 -8.807 1.00 0.00 O ATOM 0 H GLU A 449 -3.446 -15.821 -12.184 1.00 0.00 H new ATOM 0 HA GLU A 449 -1.063 -16.051 -10.553 1.00 0.00 H new ATOM 0 HB2 GLU A 449 -2.277 -18.008 -12.538 1.00 0.00 H new ATOM 0 HB3 GLU A 449 -1.119 -18.377 -11.276 1.00 0.00 H new ATOM 0 HG2 GLU A 449 -3.753 -17.151 -10.505 1.00 0.00 H new ATOM 0 HG3 GLU A 449 -3.711 -18.843 -10.960 1.00 0.00 H new ATOM 418 N ASN A 450 -0.759 -15.165 -13.541 1.00 0.00 N ATOM 419 CA ASN A 450 0.160 -14.862 -14.632 1.00 0.00 C ATOM 420 C ASN A 450 0.825 -13.504 -14.422 1.00 0.00 C ATOM 421 O ASN A 450 1.463 -12.966 -15.327 1.00 0.00 O ATOM 422 CB ASN A 450 -0.581 -14.877 -15.970 1.00 0.00 C ATOM 423 CG ASN A 450 -0.751 -16.280 -16.521 1.00 0.00 C ATOM 424 OD1 ASN A 450 -1.119 -17.204 -15.795 1.00 0.00 O ATOM 425 ND2 ASN A 450 -0.482 -16.446 -17.811 1.00 0.00 N ATOM 0 H ASN A 450 -1.633 -14.640 -13.567 1.00 0.00 H new ATOM 0 HA ASN A 450 0.935 -15.629 -14.644 1.00 0.00 H new ATOM 0 HB2 ASN A 450 -1.561 -14.418 -15.844 1.00 0.00 H new ATOM 0 HB3 ASN A 450 -0.035 -14.270 -16.692 1.00 0.00 H new ATOM 0 HD21 ASN A 450 -0.578 -17.368 -18.237 1.00 0.00 H new ATOM 0 HD22 ASN A 450 -0.180 -15.652 -18.375 1.00 0.00 H new ATOM 432 N CYS A 451 0.671 -12.956 -13.221 1.00 0.00 N ATOM 433 CA CYS A 451 1.256 -11.662 -12.890 1.00 0.00 C ATOM 434 C CYS A 451 2.732 -11.808 -12.533 1.00 0.00 C ATOM 435 O CYS A 451 3.094 -12.376 -11.502 1.00 0.00 O ATOM 436 CB CYS A 451 0.499 -11.020 -11.726 1.00 0.00 C ATOM 437 SG CYS A 451 0.920 -9.271 -11.440 1.00 0.00 S ATOM 0 H CYS A 451 0.146 -13.388 -12.461 1.00 0.00 H new ATOM 0 HA CYS A 451 1.174 -11.019 -13.766 1.00 0.00 H new ATOM 0 HB2 CYS A 451 -0.572 -11.099 -11.915 1.00 0.00 H new ATOM 0 HB3 CYS A 451 0.704 -11.585 -10.817 1.00 0.00 H new ATOM 0 HG CYS A 451 0.386 -8.873 -10.323 1.00 0.00 H new ATOM 442 N PRO A 452 3.606 -11.282 -13.404 1.00 0.00 N ATOM 443 CA PRO A 452 5.057 -11.340 -13.202 1.00 0.00 C ATOM 444 C PRO A 452 5.518 -10.450 -12.053 1.00 0.00 C ATOM 445 O PRO A 452 6.710 -10.371 -11.757 1.00 0.00 O ATOM 446 CB PRO A 452 5.621 -10.832 -14.532 1.00 0.00 C ATOM 447 CG PRO A 452 4.542 -9.973 -15.096 1.00 0.00 C ATOM 448 CD PRO A 452 3.245 -10.591 -14.653 1.00 0.00 C ATOM 0 HA PRO A 452 5.392 -12.343 -12.937 1.00 0.00 H new ATOM 0 HB2 PRO A 452 6.540 -10.266 -14.382 1.00 0.00 H new ATOM 0 HB3 PRO A 452 5.861 -11.658 -15.202 1.00 0.00 H new ATOM 0 HG2 PRO A 452 4.630 -8.949 -14.734 1.00 0.00 H new ATOM 0 HG3 PRO A 452 4.604 -9.933 -16.184 1.00 0.00 H new ATOM 0 HD2 PRO A 452 2.476 -9.836 -14.487 1.00 0.00 H new ATOM 0 HD3 PRO A 452 2.855 -11.285 -15.398 1.00 0.00 H new ATOM 456 N TYR A 453 4.567 -9.783 -11.409 1.00 0.00 N ATOM 457 CA TYR A 453 4.876 -8.898 -10.293 1.00 0.00 C ATOM 458 C TYR A 453 4.596 -9.583 -8.959 1.00 0.00 C ATOM 459 O TYR A 453 4.254 -10.765 -8.916 1.00 0.00 O ATOM 460 CB TYR A 453 4.060 -7.608 -10.397 1.00 0.00 C ATOM 461 CG TYR A 453 4.356 -6.803 -11.642 1.00 0.00 C ATOM 462 CD1 TYR A 453 3.831 -7.176 -12.874 1.00 0.00 C ATOM 463 CD2 TYR A 453 5.160 -5.672 -11.588 1.00 0.00 C ATOM 464 CE1 TYR A 453 4.099 -6.444 -14.015 1.00 0.00 C ATOM 465 CE2 TYR A 453 5.432 -4.933 -12.723 1.00 0.00 C ATOM 466 CZ TYR A 453 4.899 -5.323 -13.935 1.00 0.00 C ATOM 467 OH TYR A 453 5.169 -4.591 -15.068 1.00 0.00 O ATOM 0 H TYR A 453 3.575 -9.839 -11.641 1.00 0.00 H new ATOM 0 HA TYR A 453 5.937 -8.655 -10.340 1.00 0.00 H new ATOM 0 HB2 TYR A 453 2.999 -7.857 -10.379 1.00 0.00 H new ATOM 0 HB3 TYR A 453 4.258 -6.991 -9.520 1.00 0.00 H new ATOM 0 HD1 TYR A 453 3.203 -8.052 -12.940 1.00 0.00 H new ATOM 0 HD2 TYR A 453 5.580 -5.365 -10.642 1.00 0.00 H new ATOM 0 HE1 TYR A 453 3.684 -6.748 -14.965 1.00 0.00 H new ATOM 0 HE2 TYR A 453 6.058 -4.055 -12.662 1.00 0.00 H new ATOM 0 HH TYR A 453 5.746 -3.833 -14.838 1.00 0.00 H new ATOM 477 N MET A 454 4.744 -8.832 -7.873 1.00 0.00 N ATOM 478 CA MET A 454 4.505 -9.366 -6.537 1.00 0.00 C ATOM 479 C MET A 454 3.133 -8.946 -6.020 1.00 0.00 C ATOM 480 O MET A 454 2.680 -7.828 -6.271 1.00 0.00 O ATOM 481 CB MET A 454 5.594 -8.891 -5.573 1.00 0.00 C ATOM 482 CG MET A 454 6.940 -9.560 -5.799 1.00 0.00 C ATOM 483 SD MET A 454 7.035 -11.200 -5.054 1.00 0.00 S ATOM 484 CE MET A 454 8.044 -10.859 -3.614 1.00 0.00 C ATOM 0 H MET A 454 5.028 -7.853 -7.891 1.00 0.00 H new ATOM 0 HA MET A 454 4.532 -10.454 -6.598 1.00 0.00 H new ATOM 0 HB2 MET A 454 5.712 -7.812 -5.674 1.00 0.00 H new ATOM 0 HB3 MET A 454 5.270 -9.081 -4.550 1.00 0.00 H new ATOM 0 HG2 MET A 454 7.126 -9.640 -6.870 1.00 0.00 H new ATOM 0 HG3 MET A 454 7.728 -8.931 -5.385 1.00 0.00 H new ATOM 0 HE1 MET A 454 8.429 -11.795 -3.209 1.00 0.00 H new ATOM 0 HE2 MET A 454 8.878 -10.217 -3.898 1.00 0.00 H new ATOM 0 HE3 MET A 454 7.441 -10.357 -2.857 1.00 0.00 H new ATOM 494 N HIS A 455 2.476 -9.847 -5.298 1.00 0.00 N ATOM 495 CA HIS A 455 1.155 -9.569 -4.745 1.00 0.00 C ATOM 496 C HIS A 455 1.157 -9.724 -3.228 1.00 0.00 C ATOM 497 O HIS A 455 1.146 -8.737 -2.493 1.00 0.00 O ATOM 498 CB HIS A 455 0.113 -10.502 -5.364 1.00 0.00 C ATOM 499 CG HIS A 455 -0.377 -10.048 -6.704 1.00 0.00 C ATOM 500 ND1 HIS A 455 -1.589 -10.437 -7.233 1.00 0.00 N ATOM 501 CD2 HIS A 455 0.188 -9.231 -7.623 1.00 0.00 C ATOM 502 CE1 HIS A 455 -1.748 -9.880 -8.421 1.00 0.00 C ATOM 503 NE2 HIS A 455 -0.683 -9.143 -8.681 1.00 0.00 N ATOM 0 H HIS A 455 2.836 -10.776 -5.082 1.00 0.00 H new ATOM 0 HA HIS A 455 0.897 -8.538 -4.986 1.00 0.00 H new ATOM 0 HB2 HIS A 455 0.543 -11.499 -5.462 1.00 0.00 H new ATOM 0 HB3 HIS A 455 -0.736 -10.586 -4.685 1.00 0.00 H new ATOM 0 HD1 HIS A 455 -2.259 -11.058 -6.779 1.00 0.00 H new ATOM 0 HD2 HIS A 455 1.146 -8.739 -7.540 1.00 0.00 H new ATOM 0 HE1 HIS A 455 -2.603 -10.006 -9.069 1.00 0.00 H new ATOM 511 N GLY A 456 1.170 -10.970 -2.765 1.00 0.00 N ATOM 512 CA GLY A 456 1.172 -11.232 -1.337 1.00 0.00 C ATOM 513 C GLY A 456 2.548 -11.074 -0.721 1.00 0.00 C ATOM 514 O GLY A 456 2.789 -10.141 0.045 1.00 0.00 O ATOM 0 H GLY A 456 1.179 -11.803 -3.353 1.00 0.00 H new ATOM 0 HA2 GLY A 456 0.477 -10.552 -0.845 1.00 0.00 H new ATOM 0 HA3 GLY A 456 0.810 -12.244 -1.156 1.00 0.00 H new ATOM 518 N ASP A 457 3.451 -11.989 -1.054 1.00 0.00 N ATOM 519 CA ASP A 457 4.811 -11.948 -0.527 1.00 0.00 C ATOM 520 C ASP A 457 5.251 -10.511 -0.271 1.00 0.00 C ATOM 521 O ASP A 457 5.889 -10.217 0.740 1.00 0.00 O ATOM 522 CB ASP A 457 5.777 -12.625 -1.500 1.00 0.00 C ATOM 523 CG ASP A 457 7.021 -13.150 -0.809 1.00 0.00 C ATOM 524 OD1 ASP A 457 7.019 -13.228 0.437 1.00 0.00 O ATOM 525 OD2 ASP A 457 7.997 -13.481 -1.515 1.00 0.00 O ATOM 0 H ASP A 457 3.267 -12.768 -1.686 1.00 0.00 H new ATOM 0 HA ASP A 457 4.824 -12.487 0.420 1.00 0.00 H new ATOM 0 HB2 ASP A 457 5.267 -13.449 -2.000 1.00 0.00 H new ATOM 0 HB3 ASP A 457 6.067 -11.914 -2.273 1.00 0.00 H new ATOM 530 N PHE A 458 4.907 -9.618 -1.194 1.00 0.00 N ATOM 531 CA PHE A 458 5.269 -8.211 -1.069 1.00 0.00 C ATOM 532 C PHE A 458 4.905 -7.677 0.313 1.00 0.00 C ATOM 533 O PHE A 458 3.739 -7.646 0.708 1.00 0.00 O ATOM 534 CB PHE A 458 4.568 -7.384 -2.148 1.00 0.00 C ATOM 535 CG PHE A 458 5.221 -6.056 -2.405 1.00 0.00 C ATOM 536 CD1 PHE A 458 6.508 -5.989 -2.915 1.00 0.00 C ATOM 537 CD2 PHE A 458 4.548 -4.875 -2.138 1.00 0.00 C ATOM 538 CE1 PHE A 458 7.111 -4.768 -3.151 1.00 0.00 C ATOM 539 CE2 PHE A 458 5.146 -3.651 -2.372 1.00 0.00 C ATOM 540 CZ PHE A 458 6.429 -3.598 -2.881 1.00 0.00 C ATOM 0 H PHE A 458 4.378 -9.844 -2.036 1.00 0.00 H new ATOM 0 HA PHE A 458 6.348 -8.126 -1.200 1.00 0.00 H new ATOM 0 HB2 PHE A 458 4.547 -7.955 -3.076 1.00 0.00 H new ATOM 0 HB3 PHE A 458 3.532 -7.219 -1.852 1.00 0.00 H new ATOM 0 HD1 PHE A 458 7.045 -6.901 -3.130 1.00 0.00 H new ATOM 0 HD2 PHE A 458 3.544 -4.911 -1.742 1.00 0.00 H new ATOM 0 HE1 PHE A 458 8.115 -4.729 -3.546 1.00 0.00 H new ATOM 0 HE2 PHE A 458 4.611 -2.738 -2.157 1.00 0.00 H new ATOM 0 HZ PHE A 458 6.898 -2.643 -3.067 1.00 0.00 H new ATOM 550 N PRO A 459 5.926 -7.245 1.068 1.00 0.00 N ATOM 551 CA PRO A 459 5.740 -6.704 2.418 1.00 0.00 C ATOM 552 C PRO A 459 5.046 -5.346 2.407 1.00 0.00 C ATOM 553 O PRO A 459 5.451 -4.436 1.684 1.00 0.00 O ATOM 554 CB PRO A 459 7.170 -6.569 2.947 1.00 0.00 C ATOM 555 CG PRO A 459 8.013 -6.429 1.727 1.00 0.00 C ATOM 556 CD PRO A 459 7.342 -7.252 0.662 1.00 0.00 C ATOM 0 HA PRO A 459 5.104 -7.344 3.029 1.00 0.00 H new ATOM 0 HB2 PRO A 459 7.271 -5.702 3.599 1.00 0.00 H new ATOM 0 HB3 PRO A 459 7.460 -7.442 3.531 1.00 0.00 H new ATOM 0 HG2 PRO A 459 8.089 -5.385 1.423 1.00 0.00 H new ATOM 0 HG3 PRO A 459 9.028 -6.782 1.911 1.00 0.00 H new ATOM 0 HD2 PRO A 459 7.478 -6.817 -0.328 1.00 0.00 H new ATOM 0 HD3 PRO A 459 7.744 -8.264 0.623 1.00 0.00 H new ATOM 564 N CYS A 460 3.998 -5.217 3.214 1.00 0.00 N ATOM 565 CA CYS A 460 3.246 -3.970 3.298 1.00 0.00 C ATOM 566 C CYS A 460 4.184 -2.782 3.491 1.00 0.00 C ATOM 567 O CYS A 460 5.144 -2.852 4.259 1.00 0.00 O ATOM 568 CB CYS A 460 2.241 -4.032 4.449 1.00 0.00 C ATOM 569 SG CYS A 460 1.068 -2.639 4.489 1.00 0.00 S ATOM 0 H CYS A 460 3.650 -5.961 3.819 1.00 0.00 H new ATOM 0 HA CYS A 460 2.706 -3.837 2.361 1.00 0.00 H new ATOM 0 HB2 CYS A 460 1.680 -4.964 4.377 1.00 0.00 H new ATOM 0 HB3 CYS A 460 2.787 -4.061 5.392 1.00 0.00 H new ATOM 0 HG CYS A 460 0.015 -2.938 3.787 1.00 0.00 H new ATOM 574 N LYS A 461 3.900 -1.690 2.788 1.00 0.00 N ATOM 575 CA LYS A 461 4.715 -0.485 2.882 1.00 0.00 C ATOM 576 C LYS A 461 4.465 0.240 4.200 1.00 0.00 C ATOM 577 O LYS A 461 5.347 0.316 5.056 1.00 0.00 O ATOM 578 CB LYS A 461 4.417 0.450 1.708 1.00 0.00 C ATOM 579 CG LYS A 461 5.343 1.652 1.637 1.00 0.00 C ATOM 580 CD LYS A 461 4.906 2.629 0.558 1.00 0.00 C ATOM 581 CE LYS A 461 5.702 3.924 0.624 1.00 0.00 C ATOM 582 NZ LYS A 461 5.544 4.736 -0.614 1.00 0.00 N ATOM 0 H LYS A 461 3.111 -1.615 2.146 1.00 0.00 H new ATOM 0 HA LYS A 461 5.763 -0.782 2.845 1.00 0.00 H new ATOM 0 HB2 LYS A 461 4.494 -0.113 0.778 1.00 0.00 H new ATOM 0 HB3 LYS A 461 3.387 0.799 1.785 1.00 0.00 H new ATOM 0 HG2 LYS A 461 5.359 2.158 2.602 1.00 0.00 H new ATOM 0 HG3 LYS A 461 6.361 1.317 1.436 1.00 0.00 H new ATOM 0 HD2 LYS A 461 5.034 2.171 -0.423 1.00 0.00 H new ATOM 0 HD3 LYS A 461 3.844 2.847 0.671 1.00 0.00 H new ATOM 0 HE2 LYS A 461 5.376 4.507 1.485 1.00 0.00 H new ATOM 0 HE3 LYS A 461 6.757 3.695 0.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 6.102 5.610 -0.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 5.879 4.189 -1.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 4.541 4.977 -0.746 1.00 0.00 H new ATOM 596 N LEU A 462 3.257 0.770 4.358 1.00 0.00 N ATOM 597 CA LEU A 462 2.890 1.488 5.573 1.00 0.00 C ATOM 598 C LEU A 462 3.348 0.729 6.814 1.00 0.00 C ATOM 599 O LEU A 462 4.117 1.249 7.623 1.00 0.00 O ATOM 600 CB LEU A 462 1.376 1.704 5.624 1.00 0.00 C ATOM 601 CG LEU A 462 0.825 2.808 4.721 1.00 0.00 C ATOM 602 CD1 LEU A 462 -0.694 2.753 4.677 1.00 0.00 C ATOM 603 CD2 LEU A 462 1.297 4.174 5.200 1.00 0.00 C ATOM 0 H LEU A 462 2.515 0.716 3.660 1.00 0.00 H new ATOM 0 HA LEU A 462 3.389 2.457 5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 462 0.886 0.767 5.359 1.00 0.00 H new ATOM 0 HB3 LEU A 462 1.096 1.930 6.653 1.00 0.00 H new ATOM 0 HG LEU A 462 1.204 2.648 3.711 1.00 0.00 H new ATOM 0 HD11 LEU A 462 -1.068 3.546 4.030 1.00 0.00 H new ATOM 0 HD12 LEU A 462 -1.012 1.786 4.287 1.00 0.00 H new ATOM 0 HD13 LEU A 462 -1.092 2.887 5.683 1.00 0.00 H new ATOM 0 HD21 LEU A 462 0.895 4.948 4.546 1.00 0.00 H new ATOM 0 HD22 LEU A 462 0.948 4.343 6.219 1.00 0.00 H new ATOM 0 HD23 LEU A 462 2.386 4.211 5.179 1.00 0.00 H new ATOM 615 N TYR A 463 2.873 -0.503 6.956 1.00 0.00 N ATOM 616 CA TYR A 463 3.234 -1.334 8.099 1.00 0.00 C ATOM 617 C TYR A 463 4.708 -1.163 8.453 1.00 0.00 C ATOM 618 O TYR A 463 5.115 -1.388 9.594 1.00 0.00 O ATOM 619 CB TYR A 463 2.938 -2.805 7.800 1.00 0.00 C ATOM 620 CG TYR A 463 3.192 -3.725 8.973 1.00 0.00 C ATOM 621 CD1 TYR A 463 2.215 -3.941 9.936 1.00 0.00 C ATOM 622 CD2 TYR A 463 4.410 -4.378 9.117 1.00 0.00 C ATOM 623 CE1 TYR A 463 2.443 -4.779 11.010 1.00 0.00 C ATOM 624 CE2 TYR A 463 4.647 -5.220 10.187 1.00 0.00 C ATOM 625 CZ TYR A 463 3.660 -5.417 11.131 1.00 0.00 C ATOM 626 OH TYR A 463 3.891 -6.254 12.198 1.00 0.00 O ATOM 0 H TYR A 463 2.237 -0.949 6.294 1.00 0.00 H new ATOM 0 HA TYR A 463 2.635 -1.015 8.952 1.00 0.00 H new ATOM 0 HB2 TYR A 463 1.897 -2.902 7.492 1.00 0.00 H new ATOM 0 HB3 TYR A 463 3.551 -3.126 6.958 1.00 0.00 H new ATOM 0 HD1 TYR A 463 1.260 -3.445 9.843 1.00 0.00 H new ATOM 0 HD2 TYR A 463 5.185 -4.225 8.380 1.00 0.00 H new ATOM 0 HE1 TYR A 463 1.673 -4.934 11.751 1.00 0.00 H new ATOM 0 HE2 TYR A 463 5.599 -5.721 10.284 1.00 0.00 H new ATOM 0 HH TYR A 463 4.796 -6.624 12.133 1.00 0.00 H new ATOM 636 N HIS A 464 5.504 -0.760 7.468 1.00 0.00 N ATOM 637 CA HIS A 464 6.934 -0.556 7.674 1.00 0.00 C ATOM 638 C HIS A 464 7.251 0.926 7.847 1.00 0.00 C ATOM 639 O HIS A 464 7.888 1.327 8.822 1.00 0.00 O ATOM 640 CB HIS A 464 7.727 -1.126 6.498 1.00 0.00 C ATOM 641 CG HIS A 464 7.843 -2.619 6.522 1.00 0.00 C ATOM 642 ND1 HIS A 464 8.254 -3.325 7.633 1.00 0.00 N ATOM 643 CD2 HIS A 464 7.598 -3.541 5.562 1.00 0.00 C ATOM 644 CE1 HIS A 464 8.258 -4.616 7.355 1.00 0.00 C ATOM 645 NE2 HIS A 464 7.863 -4.775 6.104 1.00 0.00 N ATOM 0 H HIS A 464 5.183 -0.568 6.519 1.00 0.00 H new ATOM 0 HA HIS A 464 7.224 -1.080 8.585 1.00 0.00 H new ATOM 0 HB2 HIS A 464 7.249 -0.822 5.567 1.00 0.00 H new ATOM 0 HB3 HIS A 464 8.727 -0.692 6.500 1.00 0.00 H new ATOM 0 HD1 HIS A 464 8.514 -2.914 8.530 1.00 0.00 H new ATOM 0 HD2 HIS A 464 7.257 -3.343 4.556 1.00 0.00 H new ATOM 0 HE1 HIS A 464 8.537 -5.408 8.035 1.00 0.00 H new ATOM 653 N THR A 465 6.804 1.737 6.893 1.00 0.00 N ATOM 654 CA THR A 465 7.042 3.174 6.939 1.00 0.00 C ATOM 655 C THR A 465 7.144 3.670 8.377 1.00 0.00 C ATOM 656 O THR A 465 8.003 4.490 8.703 1.00 0.00 O ATOM 657 CB THR A 465 5.925 3.952 6.218 1.00 0.00 C ATOM 658 OG1 THR A 465 4.671 3.730 6.874 1.00 0.00 O ATOM 659 CG2 THR A 465 5.822 3.526 4.761 1.00 0.00 C ATOM 0 H THR A 465 6.275 1.423 6.079 1.00 0.00 H new ATOM 0 HA THR A 465 7.988 3.353 6.428 1.00 0.00 H new ATOM 0 HB THR A 465 6.171 5.013 6.254 1.00 0.00 H new ATOM 0 HG1 THR A 465 4.662 2.832 7.267 1.00 0.00 H new ATOM 0 HG21 THR A 465 5.027 4.089 4.273 1.00 0.00 H new ATOM 0 HG22 THR A 465 6.768 3.723 4.257 1.00 0.00 H new ATOM 0 HG23 THR A 465 5.597 2.461 4.708 1.00 0.00 H new ATOM 667 N THR A 466 6.262 3.166 9.235 1.00 0.00 N ATOM 668 CA THR A 466 6.253 3.558 10.639 1.00 0.00 C ATOM 669 C THR A 466 6.313 2.338 11.551 1.00 0.00 C ATOM 670 O THR A 466 6.993 2.351 12.576 1.00 0.00 O ATOM 671 CB THR A 466 4.997 4.381 10.984 1.00 0.00 C ATOM 672 OG1 THR A 466 3.822 3.585 10.794 1.00 0.00 O ATOM 673 CG2 THR A 466 4.915 5.631 10.120 1.00 0.00 C ATOM 0 H THR A 466 5.545 2.486 8.982 1.00 0.00 H new ATOM 0 HA THR A 466 7.138 4.173 10.801 1.00 0.00 H new ATOM 0 HB THR A 466 5.064 4.685 12.029 1.00 0.00 H new ATOM 0 HG1 THR A 466 3.028 4.115 11.017 1.00 0.00 H new ATOM 0 HG21 THR A 466 4.020 6.196 10.381 1.00 0.00 H new ATOM 0 HG22 THR A 466 5.797 6.249 10.289 1.00 0.00 H new ATOM 0 HG23 THR A 466 4.869 5.345 9.069 1.00 0.00 H new ATOM 681 N GLY A 467 5.598 1.284 11.170 1.00 0.00 N ATOM 682 CA GLY A 467 5.585 0.070 11.964 1.00 0.00 C ATOM 683 C GLY A 467 4.251 -0.647 11.906 1.00 0.00 C ATOM 684 O GLY A 467 4.200 -1.876 11.873 1.00 0.00 O ATOM 0 H GLY A 467 5.027 1.249 10.325 1.00 0.00 H new ATOM 0 HA2 GLY A 467 6.369 -0.600 11.611 1.00 0.00 H new ATOM 0 HA3 GLY A 467 5.817 0.315 13.000 1.00 0.00 H new ATOM 688 N ASN A 468 3.167 0.122 11.895 1.00 0.00 N ATOM 689 CA ASN A 468 1.826 -0.447 11.842 1.00 0.00 C ATOM 690 C ASN A 468 1.137 -0.096 10.527 1.00 0.00 C ATOM 691 O ASN A 468 1.619 0.743 9.766 1.00 0.00 O ATOM 692 CB ASN A 468 0.989 0.057 13.020 1.00 0.00 C ATOM 693 CG ASN A 468 0.622 1.522 12.883 1.00 0.00 C ATOM 694 OD1 ASN A 468 1.131 2.222 12.007 1.00 0.00 O ATOM 695 ND2 ASN A 468 -0.265 1.993 13.751 1.00 0.00 N ATOM 0 H ASN A 468 3.192 1.141 11.922 1.00 0.00 H new ATOM 0 HA ASN A 468 1.916 -1.531 11.906 1.00 0.00 H new ATOM 0 HB2 ASN A 468 0.078 -0.537 13.096 1.00 0.00 H new ATOM 0 HB3 ASN A 468 1.544 -0.091 13.946 1.00 0.00 H new ATOM 0 HD21 ASN A 468 -0.550 2.971 13.708 1.00 0.00 H new ATOM 0 HD22 ASN A 468 -0.661 1.377 14.461 1.00 0.00 H new ATOM 702 N CYS A 469 0.006 -0.744 10.267 1.00 0.00 N ATOM 703 CA CYS A 469 -0.751 -0.502 9.044 1.00 0.00 C ATOM 704 C CYS A 469 -2.095 0.148 9.357 1.00 0.00 C ATOM 705 O CYS A 469 -2.755 -0.206 10.334 1.00 0.00 O ATOM 706 CB CYS A 469 -0.969 -1.813 8.286 1.00 0.00 C ATOM 707 SG CYS A 469 -1.639 -1.597 6.606 1.00 0.00 S ATOM 0 H CYS A 469 -0.407 -1.441 10.887 1.00 0.00 H new ATOM 0 HA CYS A 469 -0.175 0.179 8.418 1.00 0.00 H new ATOM 0 HB2 CYS A 469 -0.020 -2.345 8.222 1.00 0.00 H new ATOM 0 HB3 CYS A 469 -1.650 -2.443 8.859 1.00 0.00 H new ATOM 0 HG CYS A 469 -0.748 -1.964 5.733 1.00 0.00 H new ATOM 712 N ILE A 470 -2.495 1.100 8.520 1.00 0.00 N ATOM 713 CA ILE A 470 -3.761 1.798 8.707 1.00 0.00 C ATOM 714 C ILE A 470 -4.936 0.933 8.262 1.00 0.00 C ATOM 715 O ILE A 470 -6.022 1.003 8.835 1.00 0.00 O ATOM 716 CB ILE A 470 -3.791 3.126 7.927 1.00 0.00 C ATOM 717 CG1 ILE A 470 -5.046 3.924 8.286 1.00 0.00 C ATOM 718 CG2 ILE A 470 -3.735 2.863 6.430 1.00 0.00 C ATOM 719 CD1 ILE A 470 -4.992 4.549 9.663 1.00 0.00 C ATOM 0 H ILE A 470 -1.961 1.405 7.706 1.00 0.00 H new ATOM 0 HA ILE A 470 -3.852 2.009 9.772 1.00 0.00 H new ATOM 0 HB ILE A 470 -2.916 3.714 8.205 1.00 0.00 H new ATOM 0 HG12 ILE A 470 -5.191 4.710 7.545 1.00 0.00 H new ATOM 0 HG13 ILE A 470 -5.914 3.267 8.228 1.00 0.00 H new ATOM 0 HG21 ILE A 470 -3.757 3.811 5.893 1.00 0.00 H new ATOM 0 HG22 ILE A 470 -2.815 2.330 6.188 1.00 0.00 H new ATOM 0 HG23 ILE A 470 -4.593 2.259 6.134 1.00 0.00 H new ATOM 0 HD11 ILE A 470 -5.914 5.099 9.849 1.00 0.00 H new ATOM 0 HD12 ILE A 470 -4.878 3.767 10.413 1.00 0.00 H new ATOM 0 HD13 ILE A 470 -4.145 5.232 9.719 1.00 0.00 H new ATOM 731 N ASN A 471 -4.709 0.118 7.238 1.00 0.00 N ATOM 732 CA ASN A 471 -5.748 -0.763 6.717 1.00 0.00 C ATOM 733 C ASN A 471 -6.398 -1.562 7.842 1.00 0.00 C ATOM 734 O ASN A 471 -7.581 -1.392 8.136 1.00 0.00 O ATOM 735 CB ASN A 471 -5.163 -1.714 5.671 1.00 0.00 C ATOM 736 CG ASN A 471 -4.712 -0.990 4.418 1.00 0.00 C ATOM 737 OD1 ASN A 471 -5.350 -0.035 3.976 1.00 0.00 O ATOM 738 ND2 ASN A 471 -3.606 -1.442 3.839 1.00 0.00 N ATOM 0 H ASN A 471 -3.815 0.049 6.752 1.00 0.00 H new ATOM 0 HA ASN A 471 -6.512 -0.144 6.247 1.00 0.00 H new ATOM 0 HB2 ASN A 471 -4.317 -2.248 6.103 1.00 0.00 H new ATOM 0 HB3 ASN A 471 -5.910 -2.462 5.406 1.00 0.00 H new ATOM 0 HD21 ASN A 471 -3.254 -0.994 2.993 1.00 0.00 H new ATOM 0 HD22 ASN A 471 -3.109 -2.237 4.240 1.00 0.00 H new ATOM 745 N GLY A 472 -5.616 -2.435 8.469 1.00 0.00 N ATOM 746 CA GLY A 472 -6.132 -3.248 9.555 1.00 0.00 C ATOM 747 C GLY A 472 -5.507 -4.628 9.594 1.00 0.00 C ATOM 748 O GLY A 472 -4.475 -4.868 8.967 1.00 0.00 O ATOM 0 H GLY A 472 -4.634 -2.594 8.244 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -5.947 -2.742 10.503 1.00 0.00 H new ATOM 0 HA3 GLY A 472 -7.213 -3.345 9.450 1.00 0.00 H new ATOM 752 N ASP A 473 -6.132 -5.538 10.332 1.00 0.00 N ATOM 753 CA ASP A 473 -5.631 -6.903 10.451 1.00 0.00 C ATOM 754 C ASP A 473 -5.894 -7.692 9.173 1.00 0.00 C ATOM 755 O ASP A 473 -5.220 -8.684 8.894 1.00 0.00 O ATOM 756 CB ASP A 473 -6.282 -7.606 11.643 1.00 0.00 C ATOM 757 CG ASP A 473 -7.743 -7.236 11.806 1.00 0.00 C ATOM 758 OD1 ASP A 473 -8.566 -7.696 10.987 1.00 0.00 O ATOM 759 OD2 ASP A 473 -8.064 -6.486 12.752 1.00 0.00 O ATOM 0 H ASP A 473 -6.987 -5.356 10.857 1.00 0.00 H new ATOM 0 HA ASP A 473 -4.554 -6.856 10.611 1.00 0.00 H new ATOM 0 HB2 ASP A 473 -6.195 -8.685 11.516 1.00 0.00 H new ATOM 0 HB3 ASP A 473 -5.741 -7.348 12.553 1.00 0.00 H new ATOM 764 N ASP A 474 -6.878 -7.245 8.400 1.00 0.00 N ATOM 765 CA ASP A 474 -7.231 -7.909 7.151 1.00 0.00 C ATOM 766 C ASP A 474 -6.624 -7.179 5.957 1.00 0.00 C ATOM 767 O ASP A 474 -7.313 -6.889 4.977 1.00 0.00 O ATOM 768 CB ASP A 474 -8.751 -7.985 7.000 1.00 0.00 C ATOM 769 CG ASP A 474 -9.401 -6.615 6.997 1.00 0.00 C ATOM 770 OD1 ASP A 474 -9.196 -5.858 7.970 1.00 0.00 O ATOM 771 OD2 ASP A 474 -10.114 -6.299 6.022 1.00 0.00 O ATOM 0 H ASP A 474 -7.445 -6.425 8.617 1.00 0.00 H new ATOM 0 HA ASP A 474 -6.826 -8.921 7.179 1.00 0.00 H new ATOM 0 HB2 ASP A 474 -8.996 -8.502 6.072 1.00 0.00 H new ATOM 0 HB3 ASP A 474 -9.165 -8.579 7.815 1.00 0.00 H new ATOM 776 N CYS A 475 -5.332 -6.883 6.045 1.00 0.00 N ATOM 777 CA CYS A 475 -4.632 -6.185 4.974 1.00 0.00 C ATOM 778 C CYS A 475 -4.269 -7.145 3.844 1.00 0.00 C ATOM 779 O CYS A 475 -3.892 -8.291 4.088 1.00 0.00 O ATOM 780 CB CYS A 475 -3.367 -5.515 5.514 1.00 0.00 C ATOM 781 SG CYS A 475 -2.418 -4.597 4.259 1.00 0.00 S ATOM 0 H CYS A 475 -4.748 -7.116 6.848 1.00 0.00 H new ATOM 0 HA CYS A 475 -5.299 -5.420 4.577 1.00 0.00 H new ATOM 0 HB2 CYS A 475 -3.645 -4.831 6.316 1.00 0.00 H new ATOM 0 HB3 CYS A 475 -2.724 -6.278 5.954 1.00 0.00 H new ATOM 0 HG CYS A 475 -3.237 -4.038 3.419 1.00 0.00 H new ATOM 786 N MET A 476 -4.387 -6.669 2.609 1.00 0.00 N ATOM 787 CA MET A 476 -4.070 -7.485 1.443 1.00 0.00 C ATOM 788 C MET A 476 -2.566 -7.506 1.187 1.00 0.00 C ATOM 789 O MET A 476 -2.122 -7.708 0.056 1.00 0.00 O ATOM 790 CB MET A 476 -4.802 -6.954 0.209 1.00 0.00 C ATOM 791 CG MET A 476 -4.524 -5.487 -0.078 1.00 0.00 C ATOM 792 SD MET A 476 -2.917 -5.223 -0.852 1.00 0.00 S ATOM 793 CE MET A 476 -3.244 -5.798 -2.517 1.00 0.00 C ATOM 0 H MET A 476 -4.700 -5.723 2.390 1.00 0.00 H new ATOM 0 HA MET A 476 -4.401 -8.504 1.642 1.00 0.00 H new ATOM 0 HB2 MET A 476 -4.512 -7.547 -0.658 1.00 0.00 H new ATOM 0 HB3 MET A 476 -5.875 -7.092 0.345 1.00 0.00 H new ATOM 0 HG2 MET A 476 -5.305 -5.094 -0.728 1.00 0.00 H new ATOM 0 HG3 MET A 476 -4.571 -4.923 0.854 1.00 0.00 H new ATOM 0 HE1 MET A 476 -2.324 -5.765 -3.101 1.00 0.00 H new ATOM 0 HE2 MET A 476 -3.615 -6.822 -2.482 1.00 0.00 H new ATOM 0 HE3 MET A 476 -3.993 -5.157 -2.983 1.00 0.00 H new ATOM 803 N PHE A 477 -1.788 -7.297 2.243 1.00 0.00 N ATOM 804 CA PHE A 477 -0.334 -7.291 2.131 1.00 0.00 C ATOM 805 C PHE A 477 0.301 -8.105 3.255 1.00 0.00 C ATOM 806 O PHE A 477 -0.305 -8.309 4.307 1.00 0.00 O ATOM 807 CB PHE A 477 0.196 -5.856 2.164 1.00 0.00 C ATOM 808 CG PHE A 477 -0.039 -5.102 0.886 1.00 0.00 C ATOM 809 CD1 PHE A 477 0.367 -5.628 -0.330 1.00 0.00 C ATOM 810 CD2 PHE A 477 -0.665 -3.866 0.901 1.00 0.00 C ATOM 811 CE1 PHE A 477 0.151 -4.937 -1.507 1.00 0.00 C ATOM 812 CE2 PHE A 477 -0.883 -3.170 -0.273 1.00 0.00 C ATOM 813 CZ PHE A 477 -0.473 -3.705 -1.478 1.00 0.00 C ATOM 0 H PHE A 477 -2.139 -7.130 3.186 1.00 0.00 H new ATOM 0 HA PHE A 477 -0.066 -7.748 1.178 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -0.279 -5.320 2.986 1.00 0.00 H new ATOM 0 HB3 PHE A 477 1.266 -5.877 2.373 1.00 0.00 H new ATOM 0 HD1 PHE A 477 0.858 -6.589 -0.358 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -0.986 -3.442 1.841 1.00 0.00 H new ATOM 0 HE1 PHE A 477 0.470 -5.360 -2.448 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -1.374 -2.208 -0.248 1.00 0.00 H new ATOM 0 HZ PHE A 477 -0.640 -3.161 -2.396 1.00 0.00 H new ATOM 823 N SER A 478 1.526 -8.568 3.024 1.00 0.00 N ATOM 824 CA SER A 478 2.242 -9.363 4.015 1.00 0.00 C ATOM 825 C SER A 478 2.864 -8.468 5.083 1.00 0.00 C ATOM 826 O SER A 478 3.461 -7.436 4.775 1.00 0.00 O ATOM 827 CB SER A 478 3.329 -10.200 3.338 1.00 0.00 C ATOM 828 OG SER A 478 4.015 -9.445 2.354 1.00 0.00 O ATOM 0 H SER A 478 2.043 -8.406 2.160 1.00 0.00 H new ATOM 0 HA SER A 478 1.527 -10.030 4.497 1.00 0.00 H new ATOM 0 HB2 SER A 478 4.037 -10.556 4.086 1.00 0.00 H new ATOM 0 HB3 SER A 478 2.881 -11.081 2.878 1.00 0.00 H new ATOM 0 HG SER A 478 4.888 -9.855 2.177 1.00 0.00 H new ATOM 834 N HIS A 479 2.718 -8.872 6.341 1.00 0.00 N ATOM 835 CA HIS A 479 3.266 -8.108 7.457 1.00 0.00 C ATOM 836 C HIS A 479 4.415 -8.861 8.119 1.00 0.00 C ATOM 837 O HIS A 479 4.673 -8.696 9.312 1.00 0.00 O ATOM 838 CB HIS A 479 2.174 -7.814 8.486 1.00 0.00 C ATOM 839 CG HIS A 479 1.257 -6.699 8.084 1.00 0.00 C ATOM 840 ND1 HIS A 479 0.298 -6.174 8.924 1.00 0.00 N ATOM 841 CD2 HIS A 479 1.159 -6.008 6.924 1.00 0.00 C ATOM 842 CE1 HIS A 479 -0.352 -5.209 8.298 1.00 0.00 C ATOM 843 NE2 HIS A 479 0.151 -5.089 7.083 1.00 0.00 N ATOM 0 H HIS A 479 2.226 -9.723 6.613 1.00 0.00 H new ATOM 0 HA HIS A 479 3.650 -7.166 7.066 1.00 0.00 H new ATOM 0 HB2 HIS A 479 1.586 -8.717 8.647 1.00 0.00 H new ATOM 0 HB3 HIS A 479 2.641 -7.564 9.438 1.00 0.00 H new ATOM 0 HD2 HIS A 479 1.761 -6.152 6.039 1.00 0.00 H new ATOM 0 HE1 HIS A 479 -1.157 -4.619 8.710 1.00 0.00 H new ATOM 0 HE2 HIS A 479 -0.159 -4.422 6.377 1.00 0.00 H new ATOM 851 N ASP A 480 5.101 -9.689 7.339 1.00 0.00 N ATOM 852 CA ASP A 480 6.223 -10.468 7.849 1.00 0.00 C ATOM 853 C ASP A 480 7.449 -9.584 8.056 1.00 0.00 C ATOM 854 O ASP A 480 7.536 -8.470 7.539 1.00 0.00 O ATOM 855 CB ASP A 480 6.559 -11.609 6.888 1.00 0.00 C ATOM 856 CG ASP A 480 5.868 -12.905 7.264 1.00 0.00 C ATOM 857 OD1 ASP A 480 5.733 -13.175 8.476 1.00 0.00 O ATOM 858 OD2 ASP A 480 5.462 -13.649 6.347 1.00 0.00 O ATOM 0 H ASP A 480 4.899 -9.838 6.350 1.00 0.00 H new ATOM 0 HA ASP A 480 5.933 -10.888 8.812 1.00 0.00 H new ATOM 0 HB2 ASP A 480 6.268 -11.326 5.876 1.00 0.00 H new ATOM 0 HB3 ASP A 480 7.638 -11.766 6.877 1.00 0.00 H new ATOM 863 N PRO A 481 8.420 -10.089 8.832 1.00 0.00 N ATOM 864 CA PRO A 481 9.658 -9.361 9.126 1.00 0.00 C ATOM 865 C PRO A 481 10.563 -9.240 7.904 1.00 0.00 C ATOM 866 O PRO A 481 10.993 -10.244 7.335 1.00 0.00 O ATOM 867 CB PRO A 481 10.326 -10.219 10.203 1.00 0.00 C ATOM 868 CG PRO A 481 9.790 -11.591 9.982 1.00 0.00 C ATOM 869 CD PRO A 481 8.383 -11.410 9.482 1.00 0.00 C ATOM 0 HA PRO A 481 9.464 -8.335 9.439 1.00 0.00 H new ATOM 0 HB2 PRO A 481 11.412 -10.198 10.108 1.00 0.00 H new ATOM 0 HB3 PRO A 481 10.086 -9.857 11.203 1.00 0.00 H new ATOM 0 HG2 PRO A 481 10.395 -12.134 9.256 1.00 0.00 H new ATOM 0 HG3 PRO A 481 9.805 -12.169 10.906 1.00 0.00 H new ATOM 0 HD2 PRO A 481 8.102 -12.195 8.781 1.00 0.00 H new ATOM 0 HD3 PRO A 481 7.660 -11.437 10.297 1.00 0.00 H new ATOM 877 N LEU A 482 10.849 -8.005 7.507 1.00 0.00 N ATOM 878 CA LEU A 482 11.704 -7.752 6.352 1.00 0.00 C ATOM 879 C LEU A 482 12.888 -8.713 6.331 1.00 0.00 C ATOM 880 O LEU A 482 13.433 -9.068 7.376 1.00 0.00 O ATOM 881 CB LEU A 482 12.205 -6.307 6.371 1.00 0.00 C ATOM 882 CG LEU A 482 11.217 -5.248 5.881 1.00 0.00 C ATOM 883 CD1 LEU A 482 11.805 -3.855 6.043 1.00 0.00 C ATOM 884 CD2 LEU A 482 10.837 -5.503 4.430 1.00 0.00 C ATOM 0 H LEU A 482 10.502 -7.164 7.967 1.00 0.00 H new ATOM 0 HA LEU A 482 11.113 -7.913 5.450 1.00 0.00 H new ATOM 0 HB2 LEU A 482 12.497 -6.058 7.391 1.00 0.00 H new ATOM 0 HB3 LEU A 482 13.104 -6.247 5.758 1.00 0.00 H new ATOM 0 HG LEU A 482 10.314 -5.312 6.488 1.00 0.00 H new ATOM 0 HD11 LEU A 482 11.088 -3.114 5.689 1.00 0.00 H new ATOM 0 HD12 LEU A 482 12.025 -3.673 7.095 1.00 0.00 H new ATOM 0 HD13 LEU A 482 12.723 -3.778 5.461 1.00 0.00 H new ATOM 0 HD21 LEU A 482 10.133 -4.739 4.099 1.00 0.00 H new ATOM 0 HD22 LEU A 482 11.731 -5.467 3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 482 10.374 -6.486 4.343 1.00 0.00 H new ATOM 896 N THR A 483 13.284 -9.130 5.132 1.00 0.00 N ATOM 897 CA THR A 483 14.404 -10.049 4.974 1.00 0.00 C ATOM 898 C THR A 483 15.439 -9.492 4.003 1.00 0.00 C ATOM 899 O THR A 483 15.121 -8.663 3.151 1.00 0.00 O ATOM 900 CB THR A 483 13.934 -11.427 4.470 1.00 0.00 C ATOM 901 OG1 THR A 483 13.153 -11.273 3.280 1.00 0.00 O ATOM 902 CG2 THR A 483 13.113 -12.140 5.533 1.00 0.00 C ATOM 0 H THR A 483 12.845 -8.845 4.256 1.00 0.00 H new ATOM 0 HA THR A 483 14.858 -10.166 5.958 1.00 0.00 H new ATOM 0 HB THR A 483 14.815 -12.029 4.250 1.00 0.00 H new ATOM 0 HG1 THR A 483 12.859 -12.153 2.965 1.00 0.00 H new ATOM 0 HG21 THR A 483 12.792 -13.111 5.155 1.00 0.00 H new ATOM 0 HG22 THR A 483 13.720 -12.282 6.427 1.00 0.00 H new ATOM 0 HG23 THR A 483 12.238 -11.539 5.780 1.00 0.00 H new ATOM 910 N GLU A 484 16.679 -9.953 4.138 1.00 0.00 N ATOM 911 CA GLU A 484 17.761 -9.499 3.272 1.00 0.00 C ATOM 912 C GLU A 484 17.278 -9.350 1.831 1.00 0.00 C ATOM 913 O GLU A 484 17.730 -8.468 1.103 1.00 0.00 O ATOM 914 CB GLU A 484 18.935 -10.478 3.329 1.00 0.00 C ATOM 915 CG GLU A 484 18.636 -11.826 2.694 1.00 0.00 C ATOM 916 CD GLU A 484 19.732 -12.843 2.940 1.00 0.00 C ATOM 917 OE1 GLU A 484 20.199 -12.944 4.095 1.00 0.00 O ATOM 918 OE2 GLU A 484 20.124 -13.539 1.980 1.00 0.00 O ATOM 0 H GLU A 484 16.959 -10.640 4.838 1.00 0.00 H new ATOM 0 HA GLU A 484 18.093 -8.524 3.629 1.00 0.00 H new ATOM 0 HB2 GLU A 484 19.794 -10.032 2.827 1.00 0.00 H new ATOM 0 HB3 GLU A 484 19.219 -10.631 4.370 1.00 0.00 H new ATOM 0 HG2 GLU A 484 17.695 -12.209 3.089 1.00 0.00 H new ATOM 0 HG3 GLU A 484 18.501 -11.696 1.620 1.00 0.00 H new ATOM 925 N GLU A 485 16.358 -10.221 1.429 1.00 0.00 N ATOM 926 CA GLU A 485 15.815 -10.188 0.076 1.00 0.00 C ATOM 927 C GLU A 485 14.802 -9.057 -0.076 1.00 0.00 C ATOM 928 O GLU A 485 15.089 -8.027 -0.686 1.00 0.00 O ATOM 929 CB GLU A 485 15.158 -11.526 -0.267 1.00 0.00 C ATOM 930 CG GLU A 485 16.130 -12.559 -0.812 1.00 0.00 C ATOM 931 CD GLU A 485 15.439 -13.836 -1.251 1.00 0.00 C ATOM 932 OE1 GLU A 485 15.241 -14.726 -0.398 1.00 0.00 O ATOM 933 OE2 GLU A 485 15.097 -13.944 -2.447 1.00 0.00 O ATOM 0 H GLU A 485 15.973 -10.958 2.020 1.00 0.00 H new ATOM 0 HA GLU A 485 16.639 -10.009 -0.614 1.00 0.00 H new ATOM 0 HB2 GLU A 485 14.679 -11.926 0.627 1.00 0.00 H new ATOM 0 HB3 GLU A 485 14.371 -11.357 -1.002 1.00 0.00 H new ATOM 0 HG2 GLU A 485 16.670 -12.133 -1.658 1.00 0.00 H new ATOM 0 HG3 GLU A 485 16.870 -12.795 -0.047 1.00 0.00 H new ATOM 940 N THR A 486 13.612 -9.257 0.483 1.00 0.00 N ATOM 941 CA THR A 486 12.555 -8.257 0.409 1.00 0.00 C ATOM 942 C THR A 486 13.094 -6.864 0.711 1.00 0.00 C ATOM 943 O THR A 486 12.860 -5.921 -0.045 1.00 0.00 O ATOM 944 CB THR A 486 11.410 -8.576 1.390 1.00 0.00 C ATOM 945 OG1 THR A 486 11.943 -8.868 2.686 1.00 0.00 O ATOM 946 CG2 THR A 486 10.588 -9.757 0.896 1.00 0.00 C ATOM 0 H THR A 486 13.357 -10.103 0.992 1.00 0.00 H new ATOM 0 HA THR A 486 12.168 -8.281 -0.610 1.00 0.00 H new ATOM 0 HB THR A 486 10.761 -7.703 1.453 1.00 0.00 H new ATOM 0 HG1 THR A 486 12.311 -9.776 2.691 1.00 0.00 H new ATOM 0 HG21 THR A 486 9.786 -9.964 1.604 1.00 0.00 H new ATOM 0 HG22 THR A 486 10.160 -9.520 -0.078 1.00 0.00 H new ATOM 0 HG23 THR A 486 11.229 -10.634 0.807 1.00 0.00 H new ATOM 954 N ARG A 487 13.816 -6.741 1.819 1.00 0.00 N ATOM 955 CA ARG A 487 14.388 -5.461 2.220 1.00 0.00 C ATOM 956 C ARG A 487 14.907 -4.693 1.008 1.00 0.00 C ATOM 957 O ARG A 487 14.599 -3.515 0.830 1.00 0.00 O ATOM 958 CB ARG A 487 15.523 -5.678 3.224 1.00 0.00 C ATOM 959 CG ARG A 487 15.826 -4.455 4.073 1.00 0.00 C ATOM 960 CD ARG A 487 16.664 -3.441 3.310 1.00 0.00 C ATOM 961 NE ARG A 487 18.093 -3.728 3.407 1.00 0.00 N ATOM 962 CZ ARG A 487 19.038 -2.800 3.303 1.00 0.00 C ATOM 963 NH1 ARG A 487 18.707 -1.532 3.099 1.00 0.00 N ATOM 964 NH2 ARG A 487 20.317 -3.139 3.402 1.00 0.00 N ATOM 0 H ARG A 487 14.019 -7.512 2.455 1.00 0.00 H new ATOM 0 HA ARG A 487 13.601 -4.872 2.692 1.00 0.00 H new ATOM 0 HB2 ARG A 487 15.263 -6.510 3.879 1.00 0.00 H new ATOM 0 HB3 ARG A 487 16.424 -5.967 2.684 1.00 0.00 H new ATOM 0 HG2 ARG A 487 14.892 -3.991 4.391 1.00 0.00 H new ATOM 0 HG3 ARG A 487 16.355 -4.760 4.976 1.00 0.00 H new ATOM 0 HD2 ARG A 487 16.365 -3.439 2.262 1.00 0.00 H new ATOM 0 HD3 ARG A 487 16.468 -2.442 3.699 1.00 0.00 H new ATOM 0 HE ARG A 487 18.381 -4.694 3.563 1.00 0.00 H new ATOM 0 HH11 ARG A 487 17.725 -1.267 3.022 1.00 0.00 H new ATOM 0 HH12 ARG A 487 19.434 -0.821 3.020 1.00 0.00 H new ATOM 0 HH21 ARG A 487 20.576 -4.113 3.558 1.00 0.00 H new ATOM 0 HH22 ARG A 487 21.041 -2.425 3.322 1.00 0.00 H new ATOM 978 N GLU A 488 15.695 -5.370 0.178 1.00 0.00 N ATOM 979 CA GLU A 488 16.257 -4.750 -1.016 1.00 0.00 C ATOM 980 C GLU A 488 15.168 -4.063 -1.836 1.00 0.00 C ATOM 981 O GLU A 488 15.339 -2.932 -2.292 1.00 0.00 O ATOM 982 CB GLU A 488 16.972 -5.797 -1.873 1.00 0.00 C ATOM 983 CG GLU A 488 18.094 -5.224 -2.722 1.00 0.00 C ATOM 984 CD GLU A 488 18.757 -6.272 -3.595 1.00 0.00 C ATOM 985 OE1 GLU A 488 18.784 -7.452 -3.188 1.00 0.00 O ATOM 986 OE2 GLU A 488 19.249 -5.912 -4.685 1.00 0.00 O ATOM 0 H GLU A 488 15.958 -6.347 0.311 1.00 0.00 H new ATOM 0 HA GLU A 488 16.978 -3.997 -0.698 1.00 0.00 H new ATOM 0 HB2 GLU A 488 17.379 -6.571 -1.222 1.00 0.00 H new ATOM 0 HB3 GLU A 488 16.244 -6.279 -2.525 1.00 0.00 H new ATOM 0 HG2 GLU A 488 17.698 -4.429 -3.353 1.00 0.00 H new ATOM 0 HG3 GLU A 488 18.843 -4.772 -2.071 1.00 0.00 H new ATOM 993 N LEU A 489 14.049 -4.755 -2.020 1.00 0.00 N ATOM 994 CA LEU A 489 12.931 -4.214 -2.785 1.00 0.00 C ATOM 995 C LEU A 489 12.600 -2.795 -2.335 1.00 0.00 C ATOM 996 O LEU A 489 12.732 -1.841 -3.104 1.00 0.00 O ATOM 997 CB LEU A 489 11.701 -5.110 -2.632 1.00 0.00 C ATOM 998 CG LEU A 489 11.809 -6.508 -3.241 1.00 0.00 C ATOM 999 CD1 LEU A 489 10.559 -7.320 -2.940 1.00 0.00 C ATOM 1000 CD2 LEU A 489 12.040 -6.419 -4.743 1.00 0.00 C ATOM 0 H LEU A 489 13.892 -5.692 -1.650 1.00 0.00 H new ATOM 0 HA LEU A 489 13.222 -4.184 -3.835 1.00 0.00 H new ATOM 0 HB2 LEU A 489 11.482 -5.214 -1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 489 10.849 -4.603 -3.085 1.00 0.00 H new ATOM 0 HG LEU A 489 12.663 -7.014 -2.791 1.00 0.00 H new ATOM 0 HD11 LEU A 489 10.654 -8.312 -3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 489 10.437 -7.413 -1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 489 9.688 -6.817 -3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 489 12.114 -7.423 -5.160 1.00 0.00 H new ATOM 0 HD22 LEU A 489 11.206 -5.894 -5.209 1.00 0.00 H new ATOM 0 HD23 LEU A 489 12.965 -5.876 -4.937 1.00 0.00 H new ATOM 1012 N LEU A 490 12.171 -2.661 -1.085 1.00 0.00 N ATOM 1013 CA LEU A 490 11.823 -1.357 -0.530 1.00 0.00 C ATOM 1014 C LEU A 490 12.808 -0.289 -0.993 1.00 0.00 C ATOM 1015 O LEU A 490 12.411 0.742 -1.537 1.00 0.00 O ATOM 1016 CB LEU A 490 11.801 -1.420 0.998 1.00 0.00 C ATOM 1017 CG LEU A 490 10.765 -2.360 1.616 1.00 0.00 C ATOM 1018 CD1 LEU A 490 10.883 -2.361 3.132 1.00 0.00 C ATOM 1019 CD2 LEU A 490 9.360 -1.961 1.189 1.00 0.00 C ATOM 0 H LEU A 490 12.056 -3.439 -0.436 1.00 0.00 H new ATOM 0 HA LEU A 490 10.830 -1.089 -0.890 1.00 0.00 H new ATOM 0 HB2 LEU A 490 12.789 -1.723 1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 490 11.624 -0.415 1.381 1.00 0.00 H new ATOM 0 HG LEU A 490 10.959 -3.370 1.256 1.00 0.00 H new ATOM 0 HD11 LEU A 490 10.138 -3.035 3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 490 11.880 -2.696 3.419 1.00 0.00 H new ATOM 0 HD13 LEU A 490 10.716 -1.353 3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 490 8.636 -2.641 1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 490 9.155 -0.943 1.519 1.00 0.00 H new ATOM 0 HD23 LEU A 490 9.281 -2.013 0.103 1.00 0.00 H new ATOM 1031 N ASP A 491 14.094 -0.542 -0.774 1.00 0.00 N ATOM 1032 CA ASP A 491 15.137 0.397 -1.171 1.00 0.00 C ATOM 1033 C ASP A 491 14.903 0.899 -2.592 1.00 0.00 C ATOM 1034 O ASP A 491 14.973 2.099 -2.858 1.00 0.00 O ATOM 1035 CB ASP A 491 16.512 -0.264 -1.070 1.00 0.00 C ATOM 1036 CG ASP A 491 16.917 -0.541 0.365 1.00 0.00 C ATOM 1037 OD1 ASP A 491 16.227 -1.339 1.032 1.00 0.00 O ATOM 1038 OD2 ASP A 491 17.924 0.041 0.821 1.00 0.00 O ATOM 0 H ASP A 491 14.439 -1.390 -0.324 1.00 0.00 H new ATOM 0 HA ASP A 491 15.102 1.250 -0.493 1.00 0.00 H new ATOM 0 HB2 ASP A 491 16.504 -1.199 -1.629 1.00 0.00 H new ATOM 0 HB3 ASP A 491 17.257 0.380 -1.537 1.00 0.00 H new ATOM 1043 N LYS A 492 14.626 -0.027 -3.504 1.00 0.00 N ATOM 1044 CA LYS A 492 14.382 0.320 -4.899 1.00 0.00 C ATOM 1045 C LYS A 492 13.013 0.973 -5.065 1.00 0.00 C ATOM 1046 O LYS A 492 12.908 2.099 -5.551 1.00 0.00 O ATOM 1047 CB LYS A 492 14.474 -0.928 -5.780 1.00 0.00 C ATOM 1048 CG LYS A 492 14.561 -0.619 -7.264 1.00 0.00 C ATOM 1049 CD LYS A 492 15.995 -0.370 -7.699 1.00 0.00 C ATOM 1050 CE LYS A 492 16.072 0.039 -9.162 1.00 0.00 C ATOM 1051 NZ LYS A 492 17.401 -0.274 -9.757 1.00 0.00 N ATOM 0 H LYS A 492 14.565 -1.025 -3.301 1.00 0.00 H new ATOM 0 HA LYS A 492 15.146 1.033 -5.209 1.00 0.00 H new ATOM 0 HB2 LYS A 492 15.350 -1.506 -5.486 1.00 0.00 H new ATOM 0 HB3 LYS A 492 13.602 -1.556 -5.599 1.00 0.00 H new ATOM 0 HG2 LYS A 492 14.146 -1.450 -7.834 1.00 0.00 H new ATOM 0 HG3 LYS A 492 13.954 0.258 -7.490 1.00 0.00 H new ATOM 0 HD2 LYS A 492 16.434 0.411 -7.078 1.00 0.00 H new ATOM 0 HD3 LYS A 492 16.586 -1.272 -7.541 1.00 0.00 H new ATOM 0 HE2 LYS A 492 15.292 -0.475 -9.724 1.00 0.00 H new ATOM 0 HE3 LYS A 492 15.877 1.108 -9.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 17.413 0.020 -10.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 18.143 0.236 -9.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 17.577 -1.297 -9.696 1.00 0.00 H new ATOM 1065 N MET A 493 11.969 0.260 -4.657 1.00 0.00 N ATOM 1066 CA MET A 493 10.607 0.773 -4.759 1.00 0.00 C ATOM 1067 C MET A 493 10.528 2.209 -4.252 1.00 0.00 C ATOM 1068 O MET A 493 10.230 3.131 -5.013 1.00 0.00 O ATOM 1069 CB MET A 493 9.645 -0.114 -3.967 1.00 0.00 C ATOM 1070 CG MET A 493 8.186 0.080 -4.348 1.00 0.00 C ATOM 1071 SD MET A 493 7.457 1.540 -3.582 1.00 0.00 S ATOM 1072 CE MET A 493 7.104 0.921 -1.939 1.00 0.00 C ATOM 0 H MET A 493 12.039 -0.674 -4.253 1.00 0.00 H new ATOM 0 HA MET A 493 10.318 0.761 -5.810 1.00 0.00 H new ATOM 0 HB2 MET A 493 9.916 -1.158 -4.121 1.00 0.00 H new ATOM 0 HB3 MET A 493 9.765 0.093 -2.904 1.00 0.00 H new ATOM 0 HG2 MET A 493 8.106 0.165 -5.432 1.00 0.00 H new ATOM 0 HG3 MET A 493 7.617 -0.802 -4.054 1.00 0.00 H new ATOM 0 HE1 MET A 493 7.235 1.723 -1.212 1.00 0.00 H new ATOM 0 HE2 MET A 493 6.077 0.559 -1.899 1.00 0.00 H new ATOM 0 HE3 MET A 493 7.786 0.104 -1.704 1.00 0.00 H new ATOM 1082 N LEU A 494 10.795 2.393 -2.964 1.00 0.00 N ATOM 1083 CA LEU A 494 10.754 3.718 -2.356 1.00 0.00 C ATOM 1084 C LEU A 494 11.567 4.718 -3.172 1.00 0.00 C ATOM 1085 O LEU A 494 11.062 5.769 -3.565 1.00 0.00 O ATOM 1086 CB LEU A 494 11.286 3.660 -0.923 1.00 0.00 C ATOM 1087 CG LEU A 494 10.307 3.151 0.136 1.00 0.00 C ATOM 1088 CD1 LEU A 494 9.883 1.723 -0.171 1.00 0.00 C ATOM 1089 CD2 LEU A 494 10.929 3.239 1.523 1.00 0.00 C ATOM 0 H LEU A 494 11.042 1.641 -2.320 1.00 0.00 H new ATOM 0 HA LEU A 494 9.716 4.050 -2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 494 12.169 3.021 -0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 494 11.612 4.660 -0.637 1.00 0.00 H new ATOM 0 HG LEU A 494 9.419 3.783 0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 494 9.187 1.378 0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 494 9.397 1.689 -1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 494 10.761 1.077 -0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 494 10.219 2.873 2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 494 11.833 2.631 1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 494 11.181 4.276 1.744 1.00 0.00 H new