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 180:sc= 1.05 USER MOD Set 1.2: A 486 THR OG1 : rot -96:sc= 1.88 USER MOD Set 2.1: A 460 CYS SG : rot 120:sc= 0.769 USER MOD Set 2.2: A 469 CYS SG : rot 120:sc= 0.813 USER MOD Set 2.3: A 471 ASN : amide:sc= 0.0326 K(o=0.78,f=-0.95!) USER MOD Set 2.4: A 475 CYS SG : rot 139:sc= -0.425 USER MOD Set 2.5: A 479 HIS : no HD1:sc= -0.41 X(o=0.78,f=0.89) USER MOD Set 3.1: A 437 CYS SG : rot 123:sc= 0.304 USER MOD Set 3.2: A 445 CYS SG : rot -88:sc= 1.29 USER MOD Set 3.3: A 451 CYS SG : rot -160:sc= 1.42 USER MOD Set 3.4: A 455 HIS : no HE2:sc= -0.0354 K(o=3,f=-2.8!) USER MOD Single : A 433 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 438 LYS NZ :NH3+ 165:sc= -0.0459 (180deg=-0.281) USER MOD Single : A 440 TYR OH : rot 180:sc= 0 USER MOD Single : A 442 THR OG1 : rot -46:sc= 0.246 USER MOD Single : A 450 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 453 TYR OH : rot 180:sc= 0 USER MOD Single : A 454 MET CE :methyl -177:sc= -0.694 (180deg=-0.708) USER MOD Single : A 461 LYS NZ :NH3+ -117:sc= 0 (180deg=-0.253) USER MOD Single : A 463 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 HIS : no HD1:sc= -4.92! C(o=-4.9!,f=-3.9!) USER MOD Single : A 465 THR OG1 : rot -36:sc= 0.313 USER MOD Single : A 466 THR OG1 : rot 180:sc= 0 USER MOD Single : A 468 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 476 MET CE :methyl -155:sc= -4.63! (180deg=-5.67!) USER MOD Single : A 478 SER OG : rot 110:sc= 0.0122 USER MOD Single : A 492 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 493 MET CE :methyl -105:sc= -1.83 (180deg=-5.44!) USER MOD ----------------------------------------------------------------- ATOM 136 N LYS A 433 9.791 -10.086 -11.667 1.00 0.00 N ATOM 137 CA LYS A 433 10.142 -8.709 -11.343 1.00 0.00 C ATOM 138 C LYS A 433 9.991 -8.446 -9.848 1.00 0.00 C ATOM 139 O LYS A 433 9.010 -8.861 -9.231 1.00 0.00 O ATOM 140 CB LYS A 433 9.262 -7.737 -12.133 1.00 0.00 C ATOM 141 CG LYS A 433 9.653 -7.615 -13.596 1.00 0.00 C ATOM 142 CD LYS A 433 8.990 -8.689 -14.442 1.00 0.00 C ATOM 143 CE LYS A 433 8.976 -8.309 -15.915 1.00 0.00 C ATOM 144 NZ LYS A 433 10.346 -8.306 -16.499 1.00 0.00 N ATOM 0 HA LYS A 433 11.185 -8.552 -11.619 1.00 0.00 H new ATOM 0 HB2 LYS A 433 8.224 -8.065 -12.069 1.00 0.00 H new ATOM 0 HB3 LYS A 433 9.314 -6.752 -11.668 1.00 0.00 H new ATOM 0 HG2 LYS A 433 9.369 -6.631 -13.968 1.00 0.00 H new ATOM 0 HG3 LYS A 433 10.736 -7.692 -13.692 1.00 0.00 H new ATOM 0 HD2 LYS A 433 9.520 -9.633 -14.314 1.00 0.00 H new ATOM 0 HD3 LYS A 433 7.968 -8.847 -14.096 1.00 0.00 H new ATOM 0 HE2 LYS A 433 8.348 -9.010 -16.465 1.00 0.00 H new ATOM 0 HE3 LYS A 433 8.529 -7.322 -16.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 10.295 -8.042 -17.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 10.939 -7.619 -15.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 10.763 -9.255 -16.411 1.00 0.00 H new ATOM 158 N ARG A 434 10.968 -7.753 -9.272 1.00 0.00 N ATOM 159 CA ARG A 434 10.943 -7.435 -7.849 1.00 0.00 C ATOM 160 C ARG A 434 10.298 -6.073 -7.608 1.00 0.00 C ATOM 161 O ARG A 434 10.774 -5.288 -6.790 1.00 0.00 O ATOM 162 CB ARG A 434 12.362 -7.448 -7.277 1.00 0.00 C ATOM 163 CG ARG A 434 12.968 -8.839 -7.182 1.00 0.00 C ATOM 164 CD ARG A 434 13.507 -9.304 -8.526 1.00 0.00 C ATOM 165 NE ARG A 434 14.632 -10.224 -8.375 1.00 0.00 N ATOM 166 CZ ARG A 434 15.086 -10.996 -9.356 1.00 0.00 C ATOM 167 NH1 ARG A 434 14.515 -10.959 -10.552 1.00 0.00 N ATOM 168 NH2 ARG A 434 16.114 -11.807 -9.141 1.00 0.00 N ATOM 0 H ARG A 434 11.786 -7.401 -9.769 1.00 0.00 H new ATOM 0 HA ARG A 434 10.348 -8.195 -7.342 1.00 0.00 H new ATOM 0 HB2 ARG A 434 13.002 -6.824 -7.901 1.00 0.00 H new ATOM 0 HB3 ARG A 434 12.349 -6.998 -6.284 1.00 0.00 H new ATOM 0 HG2 ARG A 434 13.773 -8.837 -6.447 1.00 0.00 H new ATOM 0 HG3 ARG A 434 12.214 -9.542 -6.828 1.00 0.00 H new ATOM 0 HD2 ARG A 434 12.711 -9.794 -9.086 1.00 0.00 H new ATOM 0 HD3 ARG A 434 13.822 -8.439 -9.110 1.00 0.00 H new ATOM 0 HE ARG A 434 15.094 -10.276 -7.467 1.00 0.00 H new ATOM 0 HH11 ARG A 434 13.725 -10.336 -10.721 1.00 0.00 H new ATOM 0 HH12 ARG A 434 14.866 -11.553 -11.303 1.00 0.00 H new ATOM 0 HH21 ARG A 434 16.556 -11.838 -8.222 1.00 0.00 H new ATOM 0 HH22 ARG A 434 16.462 -12.400 -9.895 1.00 0.00 H new ATOM 182 N GLU A 435 9.213 -5.802 -8.327 1.00 0.00 N ATOM 183 CA GLU A 435 8.505 -4.535 -8.191 1.00 0.00 C ATOM 184 C GLU A 435 7.048 -4.765 -7.800 1.00 0.00 C ATOM 185 O GLU A 435 6.468 -5.807 -8.109 1.00 0.00 O ATOM 186 CB GLU A 435 8.575 -3.744 -9.499 1.00 0.00 C ATOM 187 CG GLU A 435 9.993 -3.428 -9.944 1.00 0.00 C ATOM 188 CD GLU A 435 10.045 -2.803 -11.324 1.00 0.00 C ATOM 189 OE1 GLU A 435 9.675 -3.489 -12.300 1.00 0.00 O ATOM 190 OE2 GLU A 435 10.456 -1.628 -11.429 1.00 0.00 O ATOM 0 H GLU A 435 8.806 -6.442 -9.009 1.00 0.00 H new ATOM 0 HA GLU A 435 8.989 -3.961 -7.401 1.00 0.00 H new ATOM 0 HB2 GLU A 435 8.075 -4.311 -10.284 1.00 0.00 H new ATOM 0 HB3 GLU A 435 8.024 -2.811 -9.379 1.00 0.00 H new ATOM 0 HG2 GLU A 435 10.453 -2.750 -9.225 1.00 0.00 H new ATOM 0 HG3 GLU A 435 10.583 -4.344 -9.942 1.00 0.00 H new ATOM 197 N LEU A 436 6.462 -3.787 -7.119 1.00 0.00 N ATOM 198 CA LEU A 436 5.073 -3.881 -6.685 1.00 0.00 C ATOM 199 C LEU A 436 4.121 -3.577 -7.837 1.00 0.00 C ATOM 200 O LEU A 436 4.094 -2.461 -8.357 1.00 0.00 O ATOM 201 CB LEU A 436 4.813 -2.918 -5.526 1.00 0.00 C ATOM 202 CG LEU A 436 3.346 -2.651 -5.190 1.00 0.00 C ATOM 203 CD1 LEU A 436 2.752 -3.823 -4.424 1.00 0.00 C ATOM 204 CD2 LEU A 436 3.207 -1.364 -4.390 1.00 0.00 C ATOM 0 H LEU A 436 6.928 -2.919 -6.855 1.00 0.00 H new ATOM 0 HA LEU A 436 4.892 -4.902 -6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 436 5.303 -3.313 -4.636 1.00 0.00 H new ATOM 0 HB3 LEU A 436 5.291 -1.966 -5.757 1.00 0.00 H new ATOM 0 HG LEU A 436 2.795 -2.536 -6.123 1.00 0.00 H new ATOM 0 HD11 LEU A 436 1.707 -3.615 -4.193 1.00 0.00 H new ATOM 0 HD12 LEU A 436 2.817 -4.725 -5.032 1.00 0.00 H new ATOM 0 HD13 LEU A 436 3.306 -3.970 -3.497 1.00 0.00 H new ATOM 0 HD21 LEU A 436 2.156 -1.190 -4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 436 3.772 -1.450 -3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 436 3.593 -0.529 -4.974 1.00 0.00 H new ATOM 216 N CYS A 437 3.338 -4.576 -8.230 1.00 0.00 N ATOM 217 CA CYS A 437 2.382 -4.416 -9.319 1.00 0.00 C ATOM 218 C CYS A 437 1.600 -3.114 -9.170 1.00 0.00 C ATOM 219 O CYS A 437 1.075 -2.811 -8.098 1.00 0.00 O ATOM 220 CB CYS A 437 1.416 -5.602 -9.356 1.00 0.00 C ATOM 221 SG CYS A 437 0.369 -5.662 -10.846 1.00 0.00 S ATOM 0 H CYS A 437 3.347 -5.506 -7.810 1.00 0.00 H new ATOM 0 HA CYS A 437 2.939 -4.380 -10.255 1.00 0.00 H new ATOM 0 HB2 CYS A 437 1.990 -6.526 -9.291 1.00 0.00 H new ATOM 0 HB3 CYS A 437 0.775 -5.562 -8.476 1.00 0.00 H new ATOM 0 HG CYS A 437 0.538 -6.801 -11.449 1.00 0.00 H new ATOM 226 N LYS A 438 1.526 -2.348 -10.252 1.00 0.00 N ATOM 227 CA LYS A 438 0.807 -1.079 -10.244 1.00 0.00 C ATOM 228 C LYS A 438 -0.701 -1.307 -10.274 1.00 0.00 C ATOM 229 O LYS A 438 -1.483 -0.356 -10.282 1.00 0.00 O ATOM 230 CB LYS A 438 1.228 -0.223 -11.441 1.00 0.00 C ATOM 231 CG LYS A 438 2.633 0.341 -11.321 1.00 0.00 C ATOM 232 CD LYS A 438 3.669 -0.616 -11.886 1.00 0.00 C ATOM 233 CE LYS A 438 5.080 -0.072 -11.720 1.00 0.00 C ATOM 234 NZ LYS A 438 5.440 0.110 -10.287 1.00 0.00 N ATOM 0 H LYS A 438 1.955 -2.583 -11.147 1.00 0.00 H new ATOM 0 HA LYS A 438 1.059 -0.554 -9.323 1.00 0.00 H new ATOM 0 HB2 LYS A 438 1.163 -0.824 -12.348 1.00 0.00 H new ATOM 0 HB3 LYS A 438 0.523 0.601 -11.554 1.00 0.00 H new ATOM 0 HG2 LYS A 438 2.690 1.293 -11.849 1.00 0.00 H new ATOM 0 HG3 LYS A 438 2.856 0.543 -10.274 1.00 0.00 H new ATOM 0 HD2 LYS A 438 3.588 -1.580 -11.383 1.00 0.00 H new ATOM 0 HD3 LYS A 438 3.467 -0.790 -12.943 1.00 0.00 H new ATOM 0 HE2 LYS A 438 5.789 -0.754 -12.189 1.00 0.00 H new ATOM 0 HE3 LYS A 438 5.165 0.882 -12.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 438 6.469 0.234 -10.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 438 4.957 0.951 -9.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 438 5.146 -0.728 -9.746 1.00 0.00 H new ATOM 248 N PHE A 439 -1.102 -2.574 -10.290 1.00 0.00 N ATOM 249 CA PHE A 439 -2.517 -2.927 -10.319 1.00 0.00 C ATOM 250 C PHE A 439 -2.962 -3.499 -8.976 1.00 0.00 C ATOM 251 O PHE A 439 -3.966 -3.069 -8.408 1.00 0.00 O ATOM 252 CB PHE A 439 -2.789 -3.940 -11.433 1.00 0.00 C ATOM 253 CG PHE A 439 -2.854 -3.323 -12.801 1.00 0.00 C ATOM 254 CD1 PHE A 439 -3.906 -2.491 -13.151 1.00 0.00 C ATOM 255 CD2 PHE A 439 -1.865 -3.576 -13.737 1.00 0.00 C ATOM 256 CE1 PHE A 439 -3.968 -1.922 -14.409 1.00 0.00 C ATOM 257 CE2 PHE A 439 -1.922 -3.009 -14.996 1.00 0.00 C ATOM 258 CZ PHE A 439 -2.976 -2.182 -15.333 1.00 0.00 C ATOM 0 H PHE A 439 -0.468 -3.373 -10.283 1.00 0.00 H new ATOM 0 HA PHE A 439 -3.088 -2.020 -10.515 1.00 0.00 H new ATOM 0 HB2 PHE A 439 -2.007 -4.699 -11.422 1.00 0.00 H new ATOM 0 HB3 PHE A 439 -3.730 -4.450 -11.228 1.00 0.00 H new ATOM 0 HD1 PHE A 439 -4.686 -2.285 -12.433 1.00 0.00 H new ATOM 0 HD2 PHE A 439 -1.040 -4.224 -13.480 1.00 0.00 H new ATOM 0 HE1 PHE A 439 -4.792 -1.274 -14.669 1.00 0.00 H new ATOM 0 HE2 PHE A 439 -1.143 -3.212 -15.716 1.00 0.00 H new ATOM 0 HZ PHE A 439 -3.024 -1.740 -16.317 1.00 0.00 H new ATOM 268 N TYR A 440 -2.208 -4.471 -8.475 1.00 0.00 N ATOM 269 CA TYR A 440 -2.526 -5.105 -7.201 1.00 0.00 C ATOM 270 C TYR A 440 -2.792 -4.058 -6.123 1.00 0.00 C ATOM 271 O TYR A 440 -3.568 -4.290 -5.196 1.00 0.00 O ATOM 272 CB TYR A 440 -1.382 -6.023 -6.765 1.00 0.00 C ATOM 273 CG TYR A 440 -1.780 -7.023 -5.703 1.00 0.00 C ATOM 274 CD1 TYR A 440 -2.844 -7.893 -5.904 1.00 0.00 C ATOM 275 CD2 TYR A 440 -1.092 -7.096 -4.498 1.00 0.00 C ATOM 276 CE1 TYR A 440 -3.211 -8.808 -4.936 1.00 0.00 C ATOM 277 CE2 TYR A 440 -1.451 -8.009 -3.525 1.00 0.00 C ATOM 278 CZ TYR A 440 -2.511 -8.862 -3.749 1.00 0.00 C ATOM 279 OH TYR A 440 -2.873 -9.772 -2.782 1.00 0.00 O ATOM 0 H TYR A 440 -1.373 -4.837 -8.931 1.00 0.00 H new ATOM 0 HA TYR A 440 -3.430 -5.700 -7.335 1.00 0.00 H new ATOM 0 HB2 TYR A 440 -1.006 -6.560 -7.636 1.00 0.00 H new ATOM 0 HB3 TYR A 440 -0.561 -5.413 -6.388 1.00 0.00 H new ATOM 0 HD1 TYR A 440 -3.394 -7.854 -6.833 1.00 0.00 H new ATOM 0 HD2 TYR A 440 -0.263 -6.428 -4.319 1.00 0.00 H new ATOM 0 HE1 TYR A 440 -4.041 -9.477 -5.108 1.00 0.00 H new ATOM 0 HE2 TYR A 440 -0.905 -8.054 -2.595 1.00 0.00 H new ATOM 0 HH TYR A 440 -2.279 -9.681 -2.008 1.00 0.00 H new ATOM 289 N ILE A 441 -2.142 -2.907 -6.253 1.00 0.00 N ATOM 290 CA ILE A 441 -2.309 -1.823 -5.292 1.00 0.00 C ATOM 291 C ILE A 441 -3.780 -1.620 -4.944 1.00 0.00 C ATOM 292 O ILE A 441 -4.119 -1.266 -3.814 1.00 0.00 O ATOM 293 CB ILE A 441 -1.733 -0.500 -5.830 1.00 0.00 C ATOM 294 CG1 ILE A 441 -0.226 -0.632 -6.061 1.00 0.00 C ATOM 295 CG2 ILE A 441 -2.029 0.638 -4.864 1.00 0.00 C ATOM 296 CD1 ILE A 441 0.351 0.469 -6.924 1.00 0.00 C ATOM 0 H ILE A 441 -1.495 -2.700 -7.014 1.00 0.00 H new ATOM 0 HA ILE A 441 -1.761 -2.109 -4.394 1.00 0.00 H new ATOM 0 HB ILE A 441 -2.210 -0.274 -6.784 1.00 0.00 H new ATOM 0 HG12 ILE A 441 0.283 -0.632 -5.097 1.00 0.00 H new ATOM 0 HG13 ILE A 441 -0.021 -1.595 -6.529 1.00 0.00 H new ATOM 0 HG21 ILE A 441 -1.616 1.566 -5.258 1.00 0.00 H new ATOM 0 HG22 ILE A 441 -3.107 0.743 -4.745 1.00 0.00 H new ATOM 0 HG23 ILE A 441 -1.576 0.421 -3.897 1.00 0.00 H new ATOM 0 HD11 ILE A 441 1.423 0.312 -7.046 1.00 0.00 H new ATOM 0 HD12 ILE A 441 -0.131 0.456 -7.901 1.00 0.00 H new ATOM 0 HD13 ILE A 441 0.178 1.434 -6.447 1.00 0.00 H new ATOM 308 N THR A 442 -4.651 -1.848 -5.921 1.00 0.00 N ATOM 309 CA THR A 442 -6.086 -1.690 -5.718 1.00 0.00 C ATOM 310 C THR A 442 -6.773 -3.044 -5.577 1.00 0.00 C ATOM 311 O THR A 442 -7.795 -3.164 -4.904 1.00 0.00 O ATOM 312 CB THR A 442 -6.736 -0.916 -6.881 1.00 0.00 C ATOM 313 OG1 THR A 442 -6.581 -1.646 -8.103 1.00 0.00 O ATOM 314 CG2 THR A 442 -6.114 0.465 -7.026 1.00 0.00 C ATOM 0 H THR A 442 -4.388 -2.143 -6.861 1.00 0.00 H new ATOM 0 HA THR A 442 -6.215 -1.122 -4.797 1.00 0.00 H new ATOM 0 HB THR A 442 -7.797 -0.798 -6.662 1.00 0.00 H new ATOM 0 HG1 THR A 442 -5.655 -1.956 -8.184 1.00 0.00 H new ATOM 0 HG21 THR A 442 -6.589 0.993 -7.853 1.00 0.00 H new ATOM 0 HG22 THR A 442 -6.260 1.028 -6.104 1.00 0.00 H new ATOM 0 HG23 THR A 442 -5.047 0.364 -7.224 1.00 0.00 H new ATOM 322 N GLY A 443 -6.204 -4.061 -6.217 1.00 0.00 N ATOM 323 CA GLY A 443 -6.776 -5.393 -6.149 1.00 0.00 C ATOM 324 C GLY A 443 -7.296 -5.870 -7.490 1.00 0.00 C ATOM 325 O GLY A 443 -7.644 -7.040 -7.649 1.00 0.00 O ATOM 0 H GLY A 443 -5.357 -3.986 -6.781 1.00 0.00 H new ATOM 0 HA2 GLY A 443 -6.021 -6.091 -5.786 1.00 0.00 H new ATOM 0 HA3 GLY A 443 -7.590 -5.399 -5.424 1.00 0.00 H new ATOM 329 N PHE A 444 -7.352 -4.961 -8.458 1.00 0.00 N ATOM 330 CA PHE A 444 -7.837 -5.294 -9.793 1.00 0.00 C ATOM 331 C PHE A 444 -6.673 -5.554 -10.745 1.00 0.00 C ATOM 332 O PHE A 444 -6.064 -4.621 -11.269 1.00 0.00 O ATOM 333 CB PHE A 444 -8.713 -4.164 -10.337 1.00 0.00 C ATOM 334 CG PHE A 444 -9.468 -4.537 -11.580 1.00 0.00 C ATOM 335 CD1 PHE A 444 -8.803 -4.726 -12.781 1.00 0.00 C ATOM 336 CD2 PHE A 444 -10.844 -4.700 -11.549 1.00 0.00 C ATOM 337 CE1 PHE A 444 -9.495 -5.069 -13.926 1.00 0.00 C ATOM 338 CE2 PHE A 444 -11.542 -5.043 -12.692 1.00 0.00 C ATOM 339 CZ PHE A 444 -10.867 -5.228 -13.882 1.00 0.00 C ATOM 0 H PHE A 444 -7.068 -3.988 -8.343 1.00 0.00 H new ATOM 0 HA PHE A 444 -8.434 -6.203 -9.720 1.00 0.00 H new ATOM 0 HB2 PHE A 444 -9.423 -3.863 -9.567 1.00 0.00 H new ATOM 0 HB3 PHE A 444 -8.086 -3.298 -10.549 1.00 0.00 H new ATOM 0 HD1 PHE A 444 -7.731 -4.604 -12.822 1.00 0.00 H new ATOM 0 HD2 PHE A 444 -11.377 -4.557 -10.621 1.00 0.00 H new ATOM 0 HE1 PHE A 444 -8.964 -5.213 -14.855 1.00 0.00 H new ATOM 0 HE2 PHE A 444 -12.614 -5.166 -12.654 1.00 0.00 H new ATOM 0 HZ PHE A 444 -11.410 -5.496 -14.776 1.00 0.00 H new ATOM 349 N CYS A 445 -6.369 -6.829 -10.964 1.00 0.00 N ATOM 350 CA CYS A 445 -5.278 -7.214 -11.851 1.00 0.00 C ATOM 351 C CYS A 445 -5.699 -8.363 -12.763 1.00 0.00 C ATOM 352 O CYS A 445 -5.789 -9.511 -12.330 1.00 0.00 O ATOM 353 CB CYS A 445 -4.048 -7.619 -11.036 1.00 0.00 C ATOM 354 SG CYS A 445 -2.597 -8.055 -12.048 1.00 0.00 S ATOM 0 H CYS A 445 -6.863 -7.613 -10.539 1.00 0.00 H new ATOM 0 HA CYS A 445 -5.026 -6.354 -12.471 1.00 0.00 H new ATOM 0 HB2 CYS A 445 -3.780 -6.799 -10.370 1.00 0.00 H new ATOM 0 HB3 CYS A 445 -4.307 -8.470 -10.406 1.00 0.00 H new ATOM 0 HG CYS A 445 -2.639 -9.320 -12.344 1.00 0.00 H new ATOM 359 N ALA A 446 -5.955 -8.044 -14.028 1.00 0.00 N ATOM 360 CA ALA A 446 -6.363 -9.049 -15.001 1.00 0.00 C ATOM 361 C ALA A 446 -5.574 -10.342 -14.820 1.00 0.00 C ATOM 362 O ALA A 446 -6.146 -11.394 -14.533 1.00 0.00 O ATOM 363 CB ALA A 446 -6.188 -8.516 -16.416 1.00 0.00 C ATOM 0 H ALA A 446 -5.887 -7.098 -14.402 1.00 0.00 H new ATOM 0 HA ALA A 446 -7.417 -9.271 -14.836 1.00 0.00 H new ATOM 0 HB1 ALA A 446 -6.497 -9.277 -17.132 1.00 0.00 H new ATOM 0 HB2 ALA A 446 -6.801 -7.624 -16.547 1.00 0.00 H new ATOM 0 HB3 ALA A 446 -5.141 -8.264 -16.583 1.00 0.00 H new ATOM 369 N ARG A 447 -4.259 -10.256 -14.990 1.00 0.00 N ATOM 370 CA ARG A 447 -3.392 -11.419 -14.846 1.00 0.00 C ATOM 371 C ARG A 447 -3.069 -11.679 -13.378 1.00 0.00 C ATOM 372 O ARG A 447 -2.262 -10.971 -12.775 1.00 0.00 O ATOM 373 CB ARG A 447 -2.098 -11.218 -15.637 1.00 0.00 C ATOM 374 CG ARG A 447 -2.211 -11.613 -17.100 1.00 0.00 C ATOM 375 CD ARG A 447 -0.906 -11.373 -17.844 1.00 0.00 C ATOM 376 NE ARG A 447 -1.080 -11.446 -19.292 1.00 0.00 N ATOM 377 CZ ARG A 447 -0.241 -10.894 -20.162 1.00 0.00 C ATOM 378 NH1 ARG A 447 0.825 -10.233 -19.732 1.00 0.00 N ATOM 379 NH2 ARG A 447 -0.467 -11.004 -21.465 1.00 0.00 N ATOM 0 H ARG A 447 -3.770 -9.393 -15.228 1.00 0.00 H new ATOM 0 HA ARG A 447 -3.921 -12.286 -15.242 1.00 0.00 H new ATOM 0 HB2 ARG A 447 -1.803 -10.171 -15.574 1.00 0.00 H new ATOM 0 HB3 ARG A 447 -1.304 -11.802 -15.172 1.00 0.00 H new ATOM 0 HG2 ARG A 447 -2.485 -12.665 -17.174 1.00 0.00 H new ATOM 0 HG3 ARG A 447 -3.010 -11.042 -17.572 1.00 0.00 H new ATOM 0 HD2 ARG A 447 -0.511 -10.393 -17.575 1.00 0.00 H new ATOM 0 HD3 ARG A 447 -0.169 -12.112 -17.530 1.00 0.00 H new ATOM 0 HE ARG A 447 -1.890 -11.948 -19.655 1.00 0.00 H new ATOM 0 HH11 ARG A 447 1.003 -10.147 -18.731 1.00 0.00 H new ATOM 0 HH12 ARG A 447 1.467 -9.810 -20.402 1.00 0.00 H new ATOM 0 HH21 ARG A 447 -1.285 -11.513 -21.800 1.00 0.00 H new ATOM 0 HH22 ARG A 447 0.178 -10.580 -22.132 1.00 0.00 H new ATOM 393 N ALA A 448 -3.705 -12.698 -12.809 1.00 0.00 N ATOM 394 CA ALA A 448 -3.484 -13.051 -11.412 1.00 0.00 C ATOM 395 C ALA A 448 -2.215 -13.882 -11.250 1.00 0.00 C ATOM 396 O ALA A 448 -1.192 -13.383 -10.781 1.00 0.00 O ATOM 397 CB ALA A 448 -4.685 -13.807 -10.863 1.00 0.00 C ATOM 0 H ALA A 448 -4.377 -13.293 -13.294 1.00 0.00 H new ATOM 0 HA ALA A 448 -3.358 -12.129 -10.845 1.00 0.00 H new ATOM 0 HB1 ALA A 448 -4.507 -14.065 -9.819 1.00 0.00 H new ATOM 0 HB2 ALA A 448 -5.574 -13.180 -10.935 1.00 0.00 H new ATOM 0 HB3 ALA A 448 -4.836 -14.719 -11.441 1.00 0.00 H new ATOM 403 N GLU A 449 -2.289 -15.150 -11.641 1.00 0.00 N ATOM 404 CA GLU A 449 -1.146 -16.049 -11.537 1.00 0.00 C ATOM 405 C GLU A 449 -0.190 -15.852 -12.710 1.00 0.00 C ATOM 406 O GLU A 449 0.813 -16.554 -12.832 1.00 0.00 O ATOM 407 CB GLU A 449 -1.616 -17.504 -11.487 1.00 0.00 C ATOM 408 CG GLU A 449 -0.541 -18.476 -11.028 1.00 0.00 C ATOM 409 CD GLU A 449 -0.881 -19.917 -11.352 1.00 0.00 C ATOM 410 OE1 GLU A 449 -0.874 -20.275 -12.548 1.00 0.00 O ATOM 411 OE2 GLU A 449 -1.155 -20.688 -10.408 1.00 0.00 O ATOM 0 H GLU A 449 -3.128 -15.578 -12.033 1.00 0.00 H new ATOM 0 HA GLU A 449 -0.615 -15.814 -10.614 1.00 0.00 H new ATOM 0 HB2 GLU A 449 -2.471 -17.578 -10.815 1.00 0.00 H new ATOM 0 HB3 GLU A 449 -1.962 -17.799 -12.477 1.00 0.00 H new ATOM 0 HG2 GLU A 449 0.406 -18.215 -11.501 1.00 0.00 H new ATOM 0 HG3 GLU A 449 -0.399 -18.373 -9.952 1.00 0.00 H new ATOM 418 N ASN A 450 -0.510 -14.892 -13.572 1.00 0.00 N ATOM 419 CA ASN A 450 0.318 -14.602 -14.736 1.00 0.00 C ATOM 420 C ASN A 450 1.127 -13.326 -14.525 1.00 0.00 C ATOM 421 O ASN A 450 1.961 -12.962 -15.354 1.00 0.00 O ATOM 422 CB ASN A 450 -0.553 -14.466 -15.987 1.00 0.00 C ATOM 423 CG ASN A 450 -1.286 -15.750 -16.323 1.00 0.00 C ATOM 424 OD1 ASN A 450 -0.675 -16.741 -16.724 1.00 0.00 O ATOM 425 ND2 ASN A 450 -2.605 -15.738 -16.162 1.00 0.00 N ATOM 0 H ASN A 450 -1.337 -14.302 -13.486 1.00 0.00 H new ATOM 0 HA ASN A 450 1.011 -15.432 -14.872 1.00 0.00 H new ATOM 0 HB2 ASN A 450 -1.278 -13.666 -15.837 1.00 0.00 H new ATOM 0 HB3 ASN A 450 0.072 -14.176 -16.832 1.00 0.00 H new ATOM 0 HD21 ASN A 450 -3.152 -16.572 -16.373 1.00 0.00 H new ATOM 0 HD22 ASN A 450 -3.070 -14.894 -15.827 1.00 0.00 H new ATOM 432 N CYS A 451 0.875 -12.650 -13.409 1.00 0.00 N ATOM 433 CA CYS A 451 1.578 -11.415 -13.087 1.00 0.00 C ATOM 434 C CYS A 451 3.021 -11.701 -12.681 1.00 0.00 C ATOM 435 O CYS A 451 3.293 -12.283 -11.630 1.00 0.00 O ATOM 436 CB CYS A 451 0.858 -10.672 -11.960 1.00 0.00 C ATOM 437 SG CYS A 451 1.269 -8.900 -11.856 1.00 0.00 S ATOM 0 H CYS A 451 0.188 -12.938 -12.712 1.00 0.00 H new ATOM 0 HA CYS A 451 1.587 -10.788 -13.979 1.00 0.00 H new ATOM 0 HB2 CYS A 451 -0.218 -10.777 -12.100 1.00 0.00 H new ATOM 0 HB3 CYS A 451 1.104 -11.147 -11.011 1.00 0.00 H new ATOM 0 HG CYS A 451 0.968 -8.453 -10.673 1.00 0.00 H new ATOM 442 N PRO A 452 3.969 -11.282 -13.532 1.00 0.00 N ATOM 443 CA PRO A 452 5.400 -11.480 -13.283 1.00 0.00 C ATOM 444 C PRO A 452 5.914 -10.620 -12.133 1.00 0.00 C ATOM 445 O PRO A 452 7.103 -10.637 -11.816 1.00 0.00 O ATOM 446 CB PRO A 452 6.052 -11.055 -14.601 1.00 0.00 C ATOM 447 CG PRO A 452 5.083 -10.103 -15.213 1.00 0.00 C ATOM 448 CD PRO A 452 3.718 -10.581 -14.802 1.00 0.00 C ATOM 0 HA PRO A 452 5.624 -12.506 -12.992 1.00 0.00 H new ATOM 0 HB2 PRO A 452 7.018 -10.581 -14.430 1.00 0.00 H new ATOM 0 HB3 PRO A 452 6.228 -11.913 -15.250 1.00 0.00 H new ATOM 0 HG2 PRO A 452 5.262 -9.086 -14.864 1.00 0.00 H new ATOM 0 HG3 PRO A 452 5.181 -10.090 -16.298 1.00 0.00 H new ATOM 0 HD2 PRO A 452 3.024 -9.751 -14.672 1.00 0.00 H new ATOM 0 HD3 PRO A 452 3.284 -11.246 -15.549 1.00 0.00 H new ATOM 456 N TYR A 453 5.011 -9.870 -11.513 1.00 0.00 N ATOM 457 CA TYR A 453 5.373 -9.001 -10.399 1.00 0.00 C ATOM 458 C TYR A 453 5.013 -9.647 -9.065 1.00 0.00 C ATOM 459 O TYR A 453 4.578 -10.797 -9.017 1.00 0.00 O ATOM 460 CB TYR A 453 4.670 -7.649 -10.530 1.00 0.00 C ATOM 461 CG TYR A 453 5.092 -6.863 -11.751 1.00 0.00 C ATOM 462 CD1 TYR A 453 4.532 -7.122 -12.996 1.00 0.00 C ATOM 463 CD2 TYR A 453 6.052 -5.862 -11.660 1.00 0.00 C ATOM 464 CE1 TYR A 453 4.914 -6.406 -14.114 1.00 0.00 C ATOM 465 CE2 TYR A 453 6.439 -5.141 -12.773 1.00 0.00 C ATOM 466 CZ TYR A 453 5.868 -5.417 -13.997 1.00 0.00 C ATOM 467 OH TYR A 453 6.253 -4.702 -15.108 1.00 0.00 O ATOM 0 H TYR A 453 4.022 -9.846 -11.763 1.00 0.00 H new ATOM 0 HA TYR A 453 6.452 -8.846 -10.428 1.00 0.00 H new ATOM 0 HB2 TYR A 453 3.593 -7.811 -10.567 1.00 0.00 H new ATOM 0 HB3 TYR A 453 4.873 -7.056 -9.638 1.00 0.00 H new ATOM 0 HD1 TYR A 453 3.785 -7.896 -13.091 1.00 0.00 H new ATOM 0 HD2 TYR A 453 6.503 -5.644 -10.703 1.00 0.00 H new ATOM 0 HE1 TYR A 453 4.468 -6.620 -15.074 1.00 0.00 H new ATOM 0 HE2 TYR A 453 7.185 -4.365 -12.685 1.00 0.00 H new ATOM 0 HH TYR A 453 6.932 -4.043 -14.854 1.00 0.00 H new ATOM 477 N MET A 454 5.197 -8.897 -7.983 1.00 0.00 N ATOM 478 CA MET A 454 4.890 -9.395 -6.647 1.00 0.00 C ATOM 479 C MET A 454 3.519 -8.910 -6.188 1.00 0.00 C ATOM 480 O MET A 454 3.126 -7.776 -6.465 1.00 0.00 O ATOM 481 CB MET A 454 5.963 -8.945 -5.653 1.00 0.00 C ATOM 482 CG MET A 454 7.288 -9.671 -5.819 1.00 0.00 C ATOM 483 SD MET A 454 7.291 -11.298 -5.040 1.00 0.00 S ATOM 484 CE MET A 454 8.144 -10.937 -3.507 1.00 0.00 C ATOM 0 H MET A 454 5.557 -7.943 -8.005 1.00 0.00 H new ATOM 0 HA MET A 454 4.876 -10.484 -6.686 1.00 0.00 H new ATOM 0 HB2 MET A 454 6.128 -7.874 -5.769 1.00 0.00 H new ATOM 0 HB3 MET A 454 5.596 -9.103 -4.639 1.00 0.00 H new ATOM 0 HG2 MET A 454 7.507 -9.781 -6.881 1.00 0.00 H new ATOM 0 HG3 MET A 454 8.086 -9.065 -5.390 1.00 0.00 H new ATOM 0 HE1 MET A 454 8.272 -11.857 -2.937 1.00 0.00 H new ATOM 0 HE2 MET A 454 9.121 -10.507 -3.727 1.00 0.00 H new ATOM 0 HE3 MET A 454 7.558 -10.227 -2.923 1.00 0.00 H new ATOM 494 N HIS A 455 2.795 -9.775 -5.486 1.00 0.00 N ATOM 495 CA HIS A 455 1.467 -9.434 -4.988 1.00 0.00 C ATOM 496 C HIS A 455 1.408 -9.556 -3.468 1.00 0.00 C ATOM 497 O HIS A 455 1.422 -8.554 -2.754 1.00 0.00 O ATOM 498 CB HIS A 455 0.412 -10.339 -5.625 1.00 0.00 C ATOM 499 CG HIS A 455 0.001 -9.905 -6.998 1.00 0.00 C ATOM 500 ND1 HIS A 455 -1.198 -10.269 -7.574 1.00 0.00 N ATOM 501 CD2 HIS A 455 0.636 -9.133 -7.910 1.00 0.00 C ATOM 502 CE1 HIS A 455 -1.282 -9.740 -8.782 1.00 0.00 C ATOM 503 NE2 HIS A 455 -0.181 -9.045 -9.010 1.00 0.00 N ATOM 0 H HIS A 455 3.105 -10.717 -5.249 1.00 0.00 H new ATOM 0 HA HIS A 455 1.259 -8.399 -5.260 1.00 0.00 H new ATOM 0 HB2 HIS A 455 0.800 -11.356 -5.675 1.00 0.00 H new ATOM 0 HB3 HIS A 455 -0.468 -10.365 -4.982 1.00 0.00 H new ATOM 0 HD1 HIS A 455 -1.909 -10.855 -7.136 1.00 0.00 H new ATOM 0 HD2 HIS A 455 1.606 -8.672 -7.794 1.00 0.00 H new ATOM 0 HE1 HIS A 455 -2.109 -9.856 -9.466 1.00 0.00 H new ATOM 511 N GLY A 456 1.342 -10.791 -2.980 1.00 0.00 N ATOM 512 CA GLY A 456 1.281 -11.021 -1.548 1.00 0.00 C ATOM 513 C GLY A 456 2.645 -10.943 -0.891 1.00 0.00 C ATOM 514 O GLY A 456 2.905 -10.044 -0.091 1.00 0.00 O ATOM 0 H GLY A 456 1.330 -11.636 -3.551 1.00 0.00 H new ATOM 0 HA2 GLY A 456 0.619 -10.285 -1.092 1.00 0.00 H new ATOM 0 HA3 GLY A 456 0.845 -12.002 -1.359 1.00 0.00 H new ATOM 518 N ASP A 457 3.516 -11.888 -1.226 1.00 0.00 N ATOM 519 CA ASP A 457 4.861 -11.923 -0.662 1.00 0.00 C ATOM 520 C ASP A 457 5.376 -10.512 -0.397 1.00 0.00 C ATOM 521 O ASP A 457 5.981 -10.245 0.642 1.00 0.00 O ATOM 522 CB ASP A 457 5.814 -12.659 -1.605 1.00 0.00 C ATOM 523 CG ASP A 457 5.254 -13.988 -2.072 1.00 0.00 C ATOM 524 OD1 ASP A 457 4.199 -13.984 -2.741 1.00 0.00 O ATOM 525 OD2 ASP A 457 5.869 -15.031 -1.769 1.00 0.00 O ATOM 0 H ASP A 457 3.315 -12.640 -1.885 1.00 0.00 H new ATOM 0 HA ASP A 457 4.817 -12.458 0.287 1.00 0.00 H new ATOM 0 HB2 ASP A 457 6.021 -12.031 -2.471 1.00 0.00 H new ATOM 0 HB3 ASP A 457 6.765 -12.826 -1.098 1.00 0.00 H new ATOM 530 N PHE A 458 5.133 -9.611 -1.344 1.00 0.00 N ATOM 531 CA PHE A 458 5.575 -8.227 -1.214 1.00 0.00 C ATOM 532 C PHE A 458 5.233 -7.675 0.166 1.00 0.00 C ATOM 533 O PHE A 458 4.089 -7.729 0.619 1.00 0.00 O ATOM 534 CB PHE A 458 4.929 -7.360 -2.297 1.00 0.00 C ATOM 535 CG PHE A 458 5.661 -6.074 -2.550 1.00 0.00 C ATOM 536 CD1 PHE A 458 6.829 -6.060 -3.296 1.00 0.00 C ATOM 537 CD2 PHE A 458 5.182 -4.877 -2.042 1.00 0.00 C ATOM 538 CE1 PHE A 458 7.505 -4.878 -3.529 1.00 0.00 C ATOM 539 CE2 PHE A 458 5.853 -3.691 -2.273 1.00 0.00 C ATOM 540 CZ PHE A 458 7.016 -3.691 -3.018 1.00 0.00 C ATOM 0 H PHE A 458 4.633 -9.814 -2.209 1.00 0.00 H new ATOM 0 HA PHE A 458 6.658 -8.204 -1.337 1.00 0.00 H new ATOM 0 HB2 PHE A 458 4.879 -7.929 -3.225 1.00 0.00 H new ATOM 0 HB3 PHE A 458 3.903 -7.134 -2.006 1.00 0.00 H new ATOM 0 HD1 PHE A 458 7.215 -6.984 -3.700 1.00 0.00 H new ATOM 0 HD2 PHE A 458 4.273 -4.871 -1.458 1.00 0.00 H new ATOM 0 HE1 PHE A 458 8.415 -4.882 -4.110 1.00 0.00 H new ATOM 0 HE2 PHE A 458 5.468 -2.765 -1.871 1.00 0.00 H new ATOM 0 HZ PHE A 458 7.542 -2.766 -3.201 1.00 0.00 H new ATOM 550 N PRO A 459 6.248 -7.129 0.853 1.00 0.00 N ATOM 551 CA PRO A 459 6.080 -6.556 2.192 1.00 0.00 C ATOM 552 C PRO A 459 5.270 -5.264 2.172 1.00 0.00 C ATOM 553 O PRO A 459 5.366 -4.474 1.232 1.00 0.00 O ATOM 554 CB PRO A 459 7.517 -6.279 2.641 1.00 0.00 C ATOM 555 CG PRO A 459 8.285 -6.113 1.375 1.00 0.00 C ATOM 556 CD PRO A 459 7.637 -7.030 0.375 1.00 0.00 C ATOM 0 HA PRO A 459 5.532 -7.225 2.856 1.00 0.00 H new ATOM 0 HB2 PRO A 459 7.573 -5.382 3.258 1.00 0.00 H new ATOM 0 HB3 PRO A 459 7.911 -7.102 3.238 1.00 0.00 H new ATOM 0 HG2 PRO A 459 8.255 -5.079 1.033 1.00 0.00 H new ATOM 0 HG3 PRO A 459 9.334 -6.371 1.518 1.00 0.00 H new ATOM 0 HD2 PRO A 459 7.686 -6.623 -0.635 1.00 0.00 H new ATOM 0 HD3 PRO A 459 8.124 -8.005 0.349 1.00 0.00 H new ATOM 564 N CYS A 460 4.474 -5.054 3.214 1.00 0.00 N ATOM 565 CA CYS A 460 3.647 -3.858 3.317 1.00 0.00 C ATOM 566 C CYS A 460 4.509 -2.618 3.542 1.00 0.00 C ATOM 567 O CYS A 460 5.519 -2.670 4.243 1.00 0.00 O ATOM 568 CB CYS A 460 2.640 -4.005 4.459 1.00 0.00 C ATOM 569 SG CYS A 460 1.519 -2.582 4.650 1.00 0.00 S ATOM 0 H CYS A 460 4.384 -5.697 4.000 1.00 0.00 H new ATOM 0 HA CYS A 460 3.107 -3.739 2.378 1.00 0.00 H new ATOM 0 HB2 CYS A 460 2.045 -4.903 4.291 1.00 0.00 H new ATOM 0 HB3 CYS A 460 3.184 -4.153 5.392 1.00 0.00 H new ATOM 0 HG CYS A 460 0.289 -2.975 4.496 1.00 0.00 H new ATOM 574 N LYS A 461 4.102 -1.505 2.941 1.00 0.00 N ATOM 575 CA LYS A 461 4.834 -0.251 3.075 1.00 0.00 C ATOM 576 C LYS A 461 4.516 0.425 4.405 1.00 0.00 C ATOM 577 O LYS A 461 5.386 0.566 5.265 1.00 0.00 O ATOM 578 CB LYS A 461 4.492 0.689 1.918 1.00 0.00 C ATOM 579 CG LYS A 461 5.402 1.903 1.831 1.00 0.00 C ATOM 580 CD LYS A 461 5.057 2.773 0.634 1.00 0.00 C ATOM 581 CE LYS A 461 4.061 3.861 1.003 1.00 0.00 C ATOM 582 NZ LYS A 461 2.655 3.429 0.766 1.00 0.00 N ATOM 0 H LYS A 461 3.269 -1.446 2.356 1.00 0.00 H new ATOM 0 HA LYS A 461 5.900 -0.477 3.048 1.00 0.00 H new ATOM 0 HB2 LYS A 461 4.549 0.135 0.981 1.00 0.00 H new ATOM 0 HB3 LYS A 461 3.461 1.025 2.027 1.00 0.00 H new ATOM 0 HG2 LYS A 461 5.316 2.490 2.745 1.00 0.00 H new ATOM 0 HG3 LYS A 461 6.439 1.577 1.758 1.00 0.00 H new ATOM 0 HD2 LYS A 461 5.966 3.229 0.240 1.00 0.00 H new ATOM 0 HD3 LYS A 461 4.642 2.153 -0.160 1.00 0.00 H new ATOM 0 HE2 LYS A 461 4.187 4.128 2.052 1.00 0.00 H new ATOM 0 HE3 LYS A 461 4.269 4.757 0.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 2.223 4.037 0.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 2.645 2.441 0.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 2.114 3.507 1.651 1.00 0.00 H new ATOM 596 N LEU A 462 3.265 0.840 4.568 1.00 0.00 N ATOM 597 CA LEU A 462 2.831 1.500 5.795 1.00 0.00 C ATOM 598 C LEU A 462 3.354 0.763 7.024 1.00 0.00 C ATOM 599 O LEU A 462 4.058 1.340 7.853 1.00 0.00 O ATOM 600 CB LEU A 462 1.304 1.577 5.843 1.00 0.00 C ATOM 601 CG LEU A 462 0.658 2.646 4.962 1.00 0.00 C ATOM 602 CD1 LEU A 462 -0.855 2.621 5.115 1.00 0.00 C ATOM 603 CD2 LEU A 462 1.208 4.023 5.303 1.00 0.00 C ATOM 0 H LEU A 462 2.533 0.731 3.866 1.00 0.00 H new ATOM 0 HA LEU A 462 3.240 2.510 5.799 1.00 0.00 H new ATOM 0 HB2 LEU A 462 0.902 0.606 5.555 1.00 0.00 H new ATOM 0 HB3 LEU A 462 1.001 1.754 6.875 1.00 0.00 H new ATOM 0 HG LEU A 462 0.901 2.428 3.922 1.00 0.00 H new ATOM 0 HD11 LEU A 462 -1.298 3.389 4.480 1.00 0.00 H new ATOM 0 HD12 LEU A 462 -1.234 1.643 4.819 1.00 0.00 H new ATOM 0 HD13 LEU A 462 -1.119 2.813 6.155 1.00 0.00 H new ATOM 0 HD21 LEU A 462 0.737 4.771 4.666 1.00 0.00 H new ATOM 0 HD22 LEU A 462 0.996 4.251 6.348 1.00 0.00 H new ATOM 0 HD23 LEU A 462 2.286 4.035 5.140 1.00 0.00 H new ATOM 615 N TYR A 463 3.008 -0.514 7.133 1.00 0.00 N ATOM 616 CA TYR A 463 3.442 -1.330 8.261 1.00 0.00 C ATOM 617 C TYR A 463 4.893 -1.030 8.624 1.00 0.00 C ATOM 618 O TYR A 463 5.317 -1.239 9.761 1.00 0.00 O ATOM 619 CB TYR A 463 3.284 -2.816 7.933 1.00 0.00 C ATOM 620 CG TYR A 463 3.766 -3.733 9.034 1.00 0.00 C ATOM 621 CD1 TYR A 463 5.117 -4.023 9.181 1.00 0.00 C ATOM 622 CD2 TYR A 463 2.871 -4.311 9.926 1.00 0.00 C ATOM 623 CE1 TYR A 463 5.563 -4.862 10.184 1.00 0.00 C ATOM 624 CE2 TYR A 463 3.308 -5.149 10.934 1.00 0.00 C ATOM 625 CZ TYR A 463 4.654 -5.422 11.059 1.00 0.00 C ATOM 626 OH TYR A 463 5.093 -6.257 12.060 1.00 0.00 O ATOM 0 H TYR A 463 2.428 -1.007 6.454 1.00 0.00 H new ATOM 0 HA TYR A 463 2.814 -1.084 9.117 1.00 0.00 H new ATOM 0 HB2 TYR A 463 2.234 -3.025 7.731 1.00 0.00 H new ATOM 0 HB3 TYR A 463 3.835 -3.038 7.019 1.00 0.00 H new ATOM 0 HD1 TYR A 463 5.831 -3.585 8.499 1.00 0.00 H new ATOM 0 HD2 TYR A 463 1.816 -4.102 9.830 1.00 0.00 H new ATOM 0 HE1 TYR A 463 6.616 -5.078 10.283 1.00 0.00 H new ATOM 0 HE2 TYR A 463 2.599 -5.588 11.620 1.00 0.00 H new ATOM 0 HH TYR A 463 4.327 -6.565 12.588 1.00 0.00 H new ATOM 636 N HIS A 464 5.650 -0.536 7.649 1.00 0.00 N ATOM 637 CA HIS A 464 7.054 -0.205 7.864 1.00 0.00 C ATOM 638 C HIS A 464 7.233 1.296 8.069 1.00 0.00 C ATOM 639 O HIS A 464 7.839 1.733 9.048 1.00 0.00 O ATOM 640 CB HIS A 464 7.898 -0.674 6.679 1.00 0.00 C ATOM 641 CG HIS A 464 8.068 -2.161 6.616 1.00 0.00 C ATOM 642 ND1 HIS A 464 8.402 -2.928 7.712 1.00 0.00 N ATOM 643 CD2 HIS A 464 7.947 -3.022 5.579 1.00 0.00 C ATOM 644 CE1 HIS A 464 8.480 -4.196 7.352 1.00 0.00 C ATOM 645 NE2 HIS A 464 8.208 -4.281 6.063 1.00 0.00 N ATOM 0 H HIS A 464 5.315 -0.356 6.703 1.00 0.00 H new ATOM 0 HA HIS A 464 7.389 -0.719 8.765 1.00 0.00 H new ATOM 0 HB2 HIS A 464 7.434 -0.330 5.754 1.00 0.00 H new ATOM 0 HB3 HIS A 464 8.881 -0.206 6.736 1.00 0.00 H new ATOM 0 HD2 HIS A 464 7.693 -2.767 4.561 1.00 0.00 H new ATOM 0 HE1 HIS A 464 8.725 -5.023 8.002 1.00 0.00 H new ATOM 0 HE2 HIS A 464 8.194 -5.141 5.515 1.00 0.00 H new ATOM 653 N THR A 465 6.702 2.083 7.138 1.00 0.00 N ATOM 654 CA THR A 465 6.805 3.535 7.215 1.00 0.00 C ATOM 655 C THR A 465 6.811 4.010 8.663 1.00 0.00 C ATOM 656 O THR A 465 7.581 4.896 9.034 1.00 0.00 O ATOM 657 CB THR A 465 5.646 4.220 6.467 1.00 0.00 C ATOM 658 OG1 THR A 465 4.403 3.925 7.113 1.00 0.00 O ATOM 659 CG2 THR A 465 5.591 3.762 5.017 1.00 0.00 C ATOM 0 H THR A 465 6.196 1.739 6.322 1.00 0.00 H new ATOM 0 HA THR A 465 7.747 3.811 6.741 1.00 0.00 H new ATOM 0 HB THR A 465 5.818 5.296 6.485 1.00 0.00 H new ATOM 0 HG1 THR A 465 4.421 3.006 7.453 1.00 0.00 H new ATOM 0 HG21 THR A 465 4.765 4.259 4.509 1.00 0.00 H new ATOM 0 HG22 THR A 465 6.527 4.015 4.520 1.00 0.00 H new ATOM 0 HG23 THR A 465 5.442 2.683 4.982 1.00 0.00 H new ATOM 667 N THR A 466 5.947 3.414 9.480 1.00 0.00 N ATOM 668 CA THR A 466 5.853 3.776 10.889 1.00 0.00 C ATOM 669 C THR A 466 5.959 2.545 11.781 1.00 0.00 C ATOM 670 O THR A 466 6.552 2.596 12.858 1.00 0.00 O ATOM 671 CB THR A 466 4.531 4.506 11.194 1.00 0.00 C ATOM 672 OG1 THR A 466 3.421 3.642 10.923 1.00 0.00 O ATOM 673 CG2 THR A 466 4.408 5.774 10.363 1.00 0.00 C ATOM 0 H THR A 466 5.303 2.679 9.190 1.00 0.00 H new ATOM 0 HA THR A 466 6.686 4.446 11.100 1.00 0.00 H new ATOM 0 HB THR A 466 4.528 4.781 12.249 1.00 0.00 H new ATOM 0 HG1 THR A 466 2.584 4.112 11.121 1.00 0.00 H new ATOM 0 HG21 THR A 466 3.467 6.272 10.596 1.00 0.00 H new ATOM 0 HG22 THR A 466 5.238 6.442 10.593 1.00 0.00 H new ATOM 0 HG23 THR A 466 4.431 5.518 9.304 1.00 0.00 H new ATOM 681 N GLY A 467 5.380 1.438 11.326 1.00 0.00 N ATOM 682 CA GLY A 467 5.422 0.209 12.097 1.00 0.00 C ATOM 683 C GLY A 467 4.072 -0.477 12.168 1.00 0.00 C ATOM 684 O GLY A 467 3.993 -1.703 12.211 1.00 0.00 O ATOM 0 H GLY A 467 4.883 1.370 10.438 1.00 0.00 H new ATOM 0 HA2 GLY A 467 6.149 -0.471 11.652 1.00 0.00 H new ATOM 0 HA3 GLY A 467 5.768 0.429 13.107 1.00 0.00 H new ATOM 688 N ASN A 468 3.006 0.318 12.183 1.00 0.00 N ATOM 689 CA ASN A 468 1.653 -0.220 12.252 1.00 0.00 C ATOM 690 C ASN A 468 0.861 0.135 10.997 1.00 0.00 C ATOM 691 O ASN A 468 1.016 1.222 10.439 1.00 0.00 O ATOM 692 CB ASN A 468 0.932 0.315 13.491 1.00 0.00 C ATOM 693 CG ASN A 468 -0.373 -0.411 13.759 1.00 0.00 C ATOM 694 OD1 ASN A 468 -0.385 -1.615 14.017 1.00 0.00 O ATOM 695 ND2 ASN A 468 -1.480 0.321 13.699 1.00 0.00 N ATOM 0 H ASN A 468 3.054 1.336 12.148 1.00 0.00 H new ATOM 0 HA ASN A 468 1.724 -1.306 12.321 1.00 0.00 H new ATOM 0 HB2 ASN A 468 1.584 0.216 14.359 1.00 0.00 H new ATOM 0 HB3 ASN A 468 0.733 1.379 13.361 1.00 0.00 H new ATOM 0 HD21 ASN A 468 -2.388 -0.112 13.870 1.00 0.00 H new ATOM 0 HD22 ASN A 468 -1.422 1.316 13.482 1.00 0.00 H new ATOM 702 N CYS A 469 0.013 -0.789 10.558 1.00 0.00 N ATOM 703 CA CYS A 469 -0.804 -0.575 9.369 1.00 0.00 C ATOM 704 C CYS A 469 -2.236 -0.213 9.751 1.00 0.00 C ATOM 705 O CYS A 469 -3.001 -1.063 10.208 1.00 0.00 O ATOM 706 CB CYS A 469 -0.799 -1.827 8.490 1.00 0.00 C ATOM 707 SG CYS A 469 -1.309 -1.527 6.767 1.00 0.00 S ATOM 0 H CYS A 469 -0.127 -1.694 11.008 1.00 0.00 H new ATOM 0 HA CYS A 469 -0.376 0.256 8.808 1.00 0.00 H new ATOM 0 HB2 CYS A 469 0.203 -2.255 8.492 1.00 0.00 H new ATOM 0 HB3 CYS A 469 -1.464 -2.570 8.930 1.00 0.00 H new ATOM 0 HG CYS A 469 -0.342 -1.858 5.964 1.00 0.00 H new ATOM 712 N ILE A 470 -2.592 1.053 9.560 1.00 0.00 N ATOM 713 CA ILE A 470 -3.932 1.526 9.882 1.00 0.00 C ATOM 714 C ILE A 470 -4.989 0.504 9.478 1.00 0.00 C ATOM 715 O ILE A 470 -5.997 0.334 10.162 1.00 0.00 O ATOM 716 CB ILE A 470 -4.238 2.867 9.188 1.00 0.00 C ATOM 717 CG1 ILE A 470 -5.652 3.336 9.537 1.00 0.00 C ATOM 718 CG2 ILE A 470 -4.076 2.732 7.681 1.00 0.00 C ATOM 719 CD1 ILE A 470 -5.782 3.865 10.948 1.00 0.00 C ATOM 0 H ILE A 470 -1.971 1.769 9.184 1.00 0.00 H new ATOM 0 HA ILE A 470 -3.964 1.670 10.962 1.00 0.00 H new ATOM 0 HB ILE A 470 -3.529 3.614 9.545 1.00 0.00 H new ATOM 0 HG12 ILE A 470 -5.951 4.116 8.836 1.00 0.00 H new ATOM 0 HG13 ILE A 470 -6.345 2.505 9.404 1.00 0.00 H new ATOM 0 HG21 ILE A 470 -4.296 3.687 7.204 1.00 0.00 H new ATOM 0 HG22 ILE A 470 -3.052 2.438 7.450 1.00 0.00 H new ATOM 0 HG23 ILE A 470 -4.764 1.974 7.308 1.00 0.00 H new ATOM 0 HD11 ILE A 470 -6.811 4.179 11.125 1.00 0.00 H new ATOM 0 HD12 ILE A 470 -5.515 3.081 11.657 1.00 0.00 H new ATOM 0 HD13 ILE A 470 -5.115 4.717 11.080 1.00 0.00 H new ATOM 731 N ASN A 471 -4.749 -0.176 8.361 1.00 0.00 N ATOM 732 CA ASN A 471 -5.680 -1.183 7.865 1.00 0.00 C ATOM 733 C ASN A 471 -5.999 -2.209 8.948 1.00 0.00 C ATOM 734 O ASN A 471 -7.147 -2.351 9.365 1.00 0.00 O ATOM 735 CB ASN A 471 -5.097 -1.886 6.637 1.00 0.00 C ATOM 736 CG ASN A 471 -5.355 -1.118 5.355 1.00 0.00 C ATOM 737 OD1 ASN A 471 -6.341 -0.389 5.243 1.00 0.00 O ATOM 738 ND2 ASN A 471 -4.468 -1.280 4.380 1.00 0.00 N ATOM 0 H ASN A 471 -3.918 -0.048 7.783 1.00 0.00 H new ATOM 0 HA ASN A 471 -6.604 -0.679 7.582 1.00 0.00 H new ATOM 0 HB2 ASN A 471 -4.023 -2.014 6.771 1.00 0.00 H new ATOM 0 HB3 ASN A 471 -5.529 -2.883 6.553 1.00 0.00 H new ATOM 0 HD21 ASN A 471 -4.589 -0.790 3.494 1.00 0.00 H new ATOM 0 HD22 ASN A 471 -3.666 -1.895 4.517 1.00 0.00 H new ATOM 745 N GLY A 472 -4.972 -2.923 9.401 1.00 0.00 N ATOM 746 CA GLY A 472 -5.163 -3.926 10.432 1.00 0.00 C ATOM 747 C GLY A 472 -5.056 -5.339 9.893 1.00 0.00 C ATOM 748 O GLY A 472 -4.227 -5.619 9.026 1.00 0.00 O ATOM 0 H GLY A 472 -4.012 -2.824 9.072 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -4.420 -3.782 11.216 1.00 0.00 H new ATOM 0 HA3 GLY A 472 -6.142 -3.789 10.891 1.00 0.00 H new ATOM 752 N ASP A 473 -5.894 -6.232 10.407 1.00 0.00 N ATOM 753 CA ASP A 473 -5.890 -7.624 9.973 1.00 0.00 C ATOM 754 C ASP A 473 -6.648 -7.785 8.659 1.00 0.00 C ATOM 755 O ASP A 473 -6.972 -8.901 8.251 1.00 0.00 O ATOM 756 CB ASP A 473 -6.510 -8.518 11.047 1.00 0.00 C ATOM 757 CG ASP A 473 -5.798 -8.400 12.381 1.00 0.00 C ATOM 758 OD1 ASP A 473 -4.760 -9.070 12.560 1.00 0.00 O ATOM 759 OD2 ASP A 473 -6.279 -7.637 13.244 1.00 0.00 O ATOM 0 H ASP A 473 -6.585 -6.017 11.125 1.00 0.00 H new ATOM 0 HA ASP A 473 -4.855 -7.926 9.814 1.00 0.00 H new ATOM 0 HB2 ASP A 473 -7.560 -8.253 11.174 1.00 0.00 H new ATOM 0 HB3 ASP A 473 -6.481 -9.555 10.713 1.00 0.00 H new ATOM 764 N ASP A 474 -6.928 -6.665 8.002 1.00 0.00 N ATOM 765 CA ASP A 474 -7.648 -6.682 6.734 1.00 0.00 C ATOM 766 C ASP A 474 -6.709 -6.377 5.571 1.00 0.00 C ATOM 767 O ASP A 474 -6.963 -6.774 4.434 1.00 0.00 O ATOM 768 CB ASP A 474 -8.794 -5.669 6.760 1.00 0.00 C ATOM 769 CG ASP A 474 -9.550 -5.685 8.074 1.00 0.00 C ATOM 770 OD1 ASP A 474 -10.059 -6.761 8.454 1.00 0.00 O ATOM 771 OD2 ASP A 474 -9.634 -4.621 8.723 1.00 0.00 O ATOM 0 H ASP A 474 -6.667 -5.734 8.326 1.00 0.00 H new ATOM 0 HA ASP A 474 -8.060 -7.681 6.592 1.00 0.00 H new ATOM 0 HB2 ASP A 474 -8.396 -4.670 6.585 1.00 0.00 H new ATOM 0 HB3 ASP A 474 -9.484 -5.884 5.944 1.00 0.00 H new ATOM 776 N CYS A 475 -5.624 -5.668 5.865 1.00 0.00 N ATOM 777 CA CYS A 475 -4.647 -5.307 4.844 1.00 0.00 C ATOM 778 C CYS A 475 -4.361 -6.489 3.923 1.00 0.00 C ATOM 779 O CYS A 475 -4.009 -7.575 4.381 1.00 0.00 O ATOM 780 CB CYS A 475 -3.349 -4.830 5.498 1.00 0.00 C ATOM 781 SG CYS A 475 -2.198 -4.005 4.351 1.00 0.00 S ATOM 0 H CYS A 475 -5.399 -5.332 6.802 1.00 0.00 H new ATOM 0 HA CYS A 475 -5.065 -4.497 4.247 1.00 0.00 H new ATOM 0 HB2 CYS A 475 -3.594 -4.142 6.307 1.00 0.00 H new ATOM 0 HB3 CYS A 475 -2.846 -5.686 5.948 1.00 0.00 H new ATOM 0 HG CYS A 475 -1.671 -2.970 4.935 1.00 0.00 H new ATOM 786 N MET A 476 -4.516 -6.268 2.621 1.00 0.00 N ATOM 787 CA MET A 476 -4.273 -7.314 1.635 1.00 0.00 C ATOM 788 C MET A 476 -2.784 -7.437 1.328 1.00 0.00 C ATOM 789 O MET A 476 -2.397 -7.857 0.237 1.00 0.00 O ATOM 790 CB MET A 476 -5.048 -7.022 0.349 1.00 0.00 C ATOM 791 CG MET A 476 -4.883 -5.596 -0.150 1.00 0.00 C ATOM 792 SD MET A 476 -3.160 -5.162 -0.454 1.00 0.00 S ATOM 793 CE MET A 476 -2.985 -5.649 -2.168 1.00 0.00 C ATOM 0 H MET A 476 -4.809 -5.375 2.225 1.00 0.00 H new ATOM 0 HA MET A 476 -4.619 -8.259 2.053 1.00 0.00 H new ATOM 0 HB2 MET A 476 -4.718 -7.711 -0.429 1.00 0.00 H new ATOM 0 HB3 MET A 476 -6.106 -7.218 0.520 1.00 0.00 H new ATOM 0 HG2 MET A 476 -5.453 -5.469 -1.070 1.00 0.00 H new ATOM 0 HG3 MET A 476 -5.303 -4.908 0.583 1.00 0.00 H new ATOM 0 HE1 MET A 476 -1.938 -5.868 -2.379 1.00 0.00 H new ATOM 0 HE2 MET A 476 -3.587 -6.538 -2.357 1.00 0.00 H new ATOM 0 HE3 MET A 476 -3.323 -4.838 -2.813 1.00 0.00 H new ATOM 803 N PHE A 477 -1.952 -7.068 2.297 1.00 0.00 N ATOM 804 CA PHE A 477 -0.505 -7.136 2.129 1.00 0.00 C ATOM 805 C PHE A 477 0.134 -7.956 3.246 1.00 0.00 C ATOM 806 O PHE A 477 -0.446 -8.120 4.319 1.00 0.00 O ATOM 807 CB PHE A 477 0.093 -5.728 2.108 1.00 0.00 C ATOM 808 CG PHE A 477 -0.074 -5.025 0.791 1.00 0.00 C ATOM 809 CD1 PHE A 477 0.495 -5.541 -0.362 1.00 0.00 C ATOM 810 CD2 PHE A 477 -0.800 -3.848 0.707 1.00 0.00 C ATOM 811 CE1 PHE A 477 0.343 -4.897 -1.575 1.00 0.00 C ATOM 812 CE2 PHE A 477 -0.956 -3.199 -0.504 1.00 0.00 C ATOM 813 CZ PHE A 477 -0.383 -3.724 -1.646 1.00 0.00 C ATOM 0 H PHE A 477 -2.255 -6.719 3.206 1.00 0.00 H new ATOM 0 HA PHE A 477 -0.297 -7.626 1.178 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -0.375 -5.131 2.891 1.00 0.00 H new ATOM 0 HB3 PHE A 477 1.155 -5.789 2.346 1.00 0.00 H new ATOM 0 HD1 PHE A 477 1.064 -6.458 -0.312 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -1.249 -3.433 1.597 1.00 0.00 H new ATOM 0 HE1 PHE A 477 0.791 -5.310 -2.466 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -1.525 -2.283 -0.557 1.00 0.00 H new ATOM 0 HZ PHE A 477 -0.502 -3.218 -2.593 1.00 0.00 H new ATOM 823 N SER A 478 1.332 -8.468 2.985 1.00 0.00 N ATOM 824 CA SER A 478 2.049 -9.275 3.965 1.00 0.00 C ATOM 825 C SER A 478 2.738 -8.388 4.999 1.00 0.00 C ATOM 826 O SER A 478 3.329 -7.363 4.659 1.00 0.00 O ATOM 827 CB SER A 478 3.082 -10.163 3.269 1.00 0.00 C ATOM 828 OG SER A 478 2.486 -11.356 2.788 1.00 0.00 O ATOM 0 H SER A 478 1.827 -8.338 2.103 1.00 0.00 H new ATOM 0 HA SER A 478 1.325 -9.907 4.478 1.00 0.00 H new ATOM 0 HB2 SER A 478 3.535 -9.619 2.440 1.00 0.00 H new ATOM 0 HB3 SER A 478 3.884 -10.408 3.965 1.00 0.00 H new ATOM 0 HG SER A 478 2.461 -11.337 1.809 1.00 0.00 H new ATOM 834 N HIS A 479 2.657 -8.791 6.263 1.00 0.00 N ATOM 835 CA HIS A 479 3.273 -8.035 7.347 1.00 0.00 C ATOM 836 C HIS A 479 4.492 -8.769 7.898 1.00 0.00 C ATOM 837 O HIS A 479 4.954 -8.484 9.003 1.00 0.00 O ATOM 838 CB HIS A 479 2.260 -7.793 8.467 1.00 0.00 C ATOM 839 CG HIS A 479 1.309 -6.671 8.182 1.00 0.00 C ATOM 840 ND1 HIS A 479 0.183 -6.429 8.940 1.00 0.00 N ATOM 841 CD2 HIS A 479 1.322 -5.723 7.217 1.00 0.00 C ATOM 842 CE1 HIS A 479 -0.457 -5.382 8.452 1.00 0.00 C ATOM 843 NE2 HIS A 479 0.214 -4.934 7.406 1.00 0.00 N ATOM 0 H HIS A 479 2.171 -9.637 6.562 1.00 0.00 H new ATOM 0 HA HIS A 479 3.599 -7.075 6.948 1.00 0.00 H new ATOM 0 HB2 HIS A 479 1.691 -8.707 8.635 1.00 0.00 H new ATOM 0 HB3 HIS A 479 2.797 -7.578 9.391 1.00 0.00 H new ATOM 0 HD2 HIS A 479 2.065 -5.608 6.442 1.00 0.00 H new ATOM 0 HE1 HIS A 479 -1.373 -4.963 8.842 1.00 0.00 H new ATOM 0 HE2 HIS A 479 -0.048 -4.133 6.832 1.00 0.00 H new ATOM 851 N ASP A 480 5.008 -9.715 7.120 1.00 0.00 N ATOM 852 CA ASP A 480 6.173 -10.489 7.530 1.00 0.00 C ATOM 853 C ASP A 480 7.376 -9.580 7.763 1.00 0.00 C ATOM 854 O ASP A 480 7.488 -8.498 7.186 1.00 0.00 O ATOM 855 CB ASP A 480 6.511 -11.541 6.471 1.00 0.00 C ATOM 856 CG ASP A 480 5.342 -12.458 6.172 1.00 0.00 C ATOM 857 OD1 ASP A 480 5.062 -13.351 6.998 1.00 0.00 O ATOM 858 OD2 ASP A 480 4.706 -12.282 5.111 1.00 0.00 O ATOM 0 H ASP A 480 4.638 -9.964 6.203 1.00 0.00 H new ATOM 0 HA ASP A 480 5.933 -10.991 8.467 1.00 0.00 H new ATOM 0 HB2 ASP A 480 6.821 -11.042 5.553 1.00 0.00 H new ATOM 0 HB3 ASP A 480 7.358 -12.136 6.812 1.00 0.00 H new ATOM 863 N PRO A 481 8.296 -10.026 8.630 1.00 0.00 N ATOM 864 CA PRO A 481 9.507 -9.268 8.960 1.00 0.00 C ATOM 865 C PRO A 481 10.489 -9.209 7.796 1.00 0.00 C ATOM 866 O PRO A 481 11.004 -10.236 7.352 1.00 0.00 O ATOM 867 CB PRO A 481 10.109 -10.051 10.129 1.00 0.00 C ATOM 868 CG PRO A 481 9.599 -11.441 9.956 1.00 0.00 C ATOM 869 CD PRO A 481 8.227 -11.307 9.355 1.00 0.00 C ATOM 0 HA PRO A 481 9.284 -8.228 9.196 1.00 0.00 H new ATOM 0 HB2 PRO A 481 11.198 -10.023 10.105 1.00 0.00 H new ATOM 0 HB3 PRO A 481 9.800 -9.632 11.087 1.00 0.00 H new ATOM 0 HG2 PRO A 481 10.255 -12.019 9.306 1.00 0.00 H new ATOM 0 HG3 PRO A 481 9.557 -11.963 10.912 1.00 0.00 H new ATOM 0 HD2 PRO A 481 7.999 -12.136 8.685 1.00 0.00 H new ATOM 0 HD3 PRO A 481 7.452 -11.294 10.121 1.00 0.00 H new ATOM 877 N LEU A 482 10.746 -8.001 7.305 1.00 0.00 N ATOM 878 CA LEU A 482 11.669 -7.808 6.192 1.00 0.00 C ATOM 879 C LEU A 482 12.880 -8.725 6.323 1.00 0.00 C ATOM 880 O LEU A 482 13.276 -9.096 7.429 1.00 0.00 O ATOM 881 CB LEU A 482 12.123 -6.349 6.127 1.00 0.00 C ATOM 882 CG LEU A 482 11.096 -5.349 5.595 1.00 0.00 C ATOM 883 CD1 LEU A 482 11.725 -3.974 5.434 1.00 0.00 C ATOM 884 CD2 LEU A 482 10.517 -5.831 4.274 1.00 0.00 C ATOM 0 H LEU A 482 10.328 -7.141 7.660 1.00 0.00 H new ATOM 0 HA LEU A 482 11.145 -8.060 5.270 1.00 0.00 H new ATOM 0 HB2 LEU A 482 12.419 -6.037 7.128 1.00 0.00 H new ATOM 0 HB3 LEU A 482 13.013 -6.294 5.500 1.00 0.00 H new ATOM 0 HG LEU A 482 10.284 -5.272 6.318 1.00 0.00 H new ATOM 0 HD11 LEU A 482 10.980 -3.275 5.054 1.00 0.00 H new ATOM 0 HD12 LEU A 482 12.090 -3.626 6.400 1.00 0.00 H new ATOM 0 HD13 LEU A 482 12.557 -4.034 4.732 1.00 0.00 H new ATOM 0 HD21 LEU A 482 9.788 -5.107 3.910 1.00 0.00 H new ATOM 0 HD22 LEU A 482 11.318 -5.938 3.543 1.00 0.00 H new ATOM 0 HD23 LEU A 482 10.029 -6.795 4.421 1.00 0.00 H new ATOM 896 N THR A 483 13.468 -9.087 5.187 1.00 0.00 N ATOM 897 CA THR A 483 14.636 -9.960 5.175 1.00 0.00 C ATOM 898 C THR A 483 15.660 -9.493 4.147 1.00 0.00 C ATOM 899 O THR A 483 15.356 -8.672 3.283 1.00 0.00 O ATOM 900 CB THR A 483 14.245 -11.417 4.867 1.00 0.00 C ATOM 901 OG1 THR A 483 13.489 -11.476 3.652 1.00 0.00 O ATOM 902 CG2 THR A 483 13.430 -12.011 6.006 1.00 0.00 C ATOM 0 H THR A 483 13.155 -8.789 4.263 1.00 0.00 H new ATOM 0 HA THR A 483 15.076 -9.913 6.171 1.00 0.00 H new ATOM 0 HB THR A 483 15.160 -11.999 4.754 1.00 0.00 H new ATOM 0 HG1 THR A 483 13.246 -12.406 3.463 1.00 0.00 H new ATOM 0 HG21 THR A 483 13.165 -13.041 5.766 1.00 0.00 H new ATOM 0 HG22 THR A 483 14.019 -11.992 6.923 1.00 0.00 H new ATOM 0 HG23 THR A 483 12.521 -11.426 6.147 1.00 0.00 H new ATOM 910 N GLU A 484 16.876 -10.021 4.248 1.00 0.00 N ATOM 911 CA GLU A 484 17.946 -9.657 3.326 1.00 0.00 C ATOM 912 C GLU A 484 17.416 -9.533 1.900 1.00 0.00 C ATOM 913 O GLU A 484 17.828 -8.651 1.149 1.00 0.00 O ATOM 914 CB GLU A 484 19.068 -10.696 3.376 1.00 0.00 C ATOM 915 CG GLU A 484 18.638 -12.080 2.922 1.00 0.00 C ATOM 916 CD GLU A 484 19.627 -13.158 3.318 1.00 0.00 C ATOM 917 OE1 GLU A 484 19.797 -13.388 4.534 1.00 0.00 O ATOM 918 OE2 GLU A 484 20.231 -13.772 2.414 1.00 0.00 O ATOM 0 H GLU A 484 17.145 -10.702 4.959 1.00 0.00 H new ATOM 0 HA GLU A 484 18.343 -8.689 3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 484 19.893 -10.358 2.749 1.00 0.00 H new ATOM 0 HB3 GLU A 484 19.448 -10.759 4.396 1.00 0.00 H new ATOM 0 HG2 GLU A 484 17.663 -12.312 3.350 1.00 0.00 H new ATOM 0 HG3 GLU A 484 18.519 -12.082 1.839 1.00 0.00 H new ATOM 925 N GLU A 485 16.500 -10.426 1.536 1.00 0.00 N ATOM 926 CA GLU A 485 15.915 -10.417 0.200 1.00 0.00 C ATOM 927 C GLU A 485 14.813 -9.367 0.095 1.00 0.00 C ATOM 928 O GLU A 485 15.008 -8.299 -0.486 1.00 0.00 O ATOM 929 CB GLU A 485 15.354 -11.798 -0.144 1.00 0.00 C ATOM 930 CG GLU A 485 16.418 -12.878 -0.251 1.00 0.00 C ATOM 931 CD GLU A 485 16.786 -13.470 1.096 1.00 0.00 C ATOM 932 OE1 GLU A 485 15.988 -13.327 2.045 1.00 0.00 O ATOM 933 OE2 GLU A 485 17.873 -14.076 1.199 1.00 0.00 O ATOM 0 H GLU A 485 16.148 -11.163 2.146 1.00 0.00 H new ATOM 0 HA GLU A 485 16.701 -10.165 -0.511 1.00 0.00 H new ATOM 0 HB2 GLU A 485 14.630 -12.087 0.618 1.00 0.00 H new ATOM 0 HB3 GLU A 485 14.814 -11.737 -1.089 1.00 0.00 H new ATOM 0 HG2 GLU A 485 16.060 -13.672 -0.907 1.00 0.00 H new ATOM 0 HG3 GLU A 485 17.311 -12.459 -0.715 1.00 0.00 H new ATOM 940 N THR A 486 13.651 -9.679 0.662 1.00 0.00 N ATOM 941 CA THR A 486 12.516 -8.766 0.632 1.00 0.00 C ATOM 942 C THR A 486 12.960 -7.329 0.882 1.00 0.00 C ATOM 943 O THR A 486 12.620 -6.423 0.121 1.00 0.00 O ATOM 944 CB THR A 486 11.455 -9.153 1.680 1.00 0.00 C ATOM 945 OG1 THR A 486 12.083 -9.407 2.942 1.00 0.00 O ATOM 946 CG2 THR A 486 10.680 -10.385 1.236 1.00 0.00 C ATOM 0 H THR A 486 13.472 -10.558 1.148 1.00 0.00 H new ATOM 0 HA THR A 486 12.077 -8.840 -0.363 1.00 0.00 H new ATOM 0 HB THR A 486 10.757 -8.322 1.783 1.00 0.00 H new ATOM 0 HG1 THR A 486 12.232 -10.370 3.045 1.00 0.00 H new ATOM 0 HG21 THR A 486 9.937 -10.639 1.992 1.00 0.00 H new ATOM 0 HG22 THR A 486 10.180 -10.179 0.290 1.00 0.00 H new ATOM 0 HG23 THR A 486 11.368 -11.221 1.108 1.00 0.00 H new ATOM 954 N ARG A 487 13.722 -7.128 1.952 1.00 0.00 N ATOM 955 CA ARG A 487 14.212 -5.800 2.303 1.00 0.00 C ATOM 956 C ARG A 487 14.621 -5.025 1.054 1.00 0.00 C ATOM 957 O ARG A 487 14.299 -3.846 0.911 1.00 0.00 O ATOM 958 CB ARG A 487 15.400 -5.908 3.261 1.00 0.00 C ATOM 959 CG ARG A 487 16.153 -4.601 3.447 1.00 0.00 C ATOM 960 CD ARG A 487 15.217 -3.471 3.846 1.00 0.00 C ATOM 961 NE ARG A 487 15.895 -2.457 4.649 1.00 0.00 N ATOM 962 CZ ARG A 487 15.444 -1.216 4.800 1.00 0.00 C ATOM 963 NH1 ARG A 487 14.321 -0.839 4.205 1.00 0.00 N ATOM 964 NH2 ARG A 487 16.117 -0.351 5.547 1.00 0.00 N ATOM 0 H ARG A 487 14.014 -7.868 2.591 1.00 0.00 H new ATOM 0 HA ARG A 487 13.404 -5.260 2.797 1.00 0.00 H new ATOM 0 HB2 ARG A 487 15.043 -6.253 4.231 1.00 0.00 H new ATOM 0 HB3 ARG A 487 16.090 -6.665 2.887 1.00 0.00 H new ATOM 0 HG2 ARG A 487 16.920 -4.727 4.212 1.00 0.00 H new ATOM 0 HG3 ARG A 487 16.666 -4.340 2.521 1.00 0.00 H new ATOM 0 HD2 ARG A 487 14.805 -3.008 2.949 1.00 0.00 H new ATOM 0 HD3 ARG A 487 14.377 -3.878 4.409 1.00 0.00 H new ATOM 0 HE ARG A 487 16.762 -2.715 5.120 1.00 0.00 H new ATOM 0 HH11 ARG A 487 13.801 -1.502 3.630 1.00 0.00 H new ATOM 0 HH12 ARG A 487 13.977 0.114 4.322 1.00 0.00 H new ATOM 0 HH21 ARG A 487 16.981 -0.638 6.006 1.00 0.00 H new ATOM 0 HH22 ARG A 487 15.770 0.601 5.662 1.00 0.00 H new ATOM 978 N GLU A 488 15.333 -5.696 0.154 1.00 0.00 N ATOM 979 CA GLU A 488 15.787 -5.068 -1.082 1.00 0.00 C ATOM 980 C GLU A 488 14.606 -4.535 -1.887 1.00 0.00 C ATOM 981 O GLU A 488 14.676 -3.452 -2.470 1.00 0.00 O ATOM 982 CB GLU A 488 16.583 -6.067 -1.924 1.00 0.00 C ATOM 983 CG GLU A 488 17.065 -5.499 -3.248 1.00 0.00 C ATOM 984 CD GLU A 488 17.731 -6.543 -4.124 1.00 0.00 C ATOM 985 OE1 GLU A 488 18.944 -6.778 -3.948 1.00 0.00 O ATOM 986 OE2 GLU A 488 17.038 -7.124 -4.985 1.00 0.00 O ATOM 0 H GLU A 488 15.608 -6.673 0.257 1.00 0.00 H new ATOM 0 HA GLU A 488 16.432 -4.230 -0.818 1.00 0.00 H new ATOM 0 HB2 GLU A 488 17.444 -6.408 -1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 488 15.962 -6.942 -2.118 1.00 0.00 H new ATOM 0 HG2 GLU A 488 16.219 -5.067 -3.783 1.00 0.00 H new ATOM 0 HG3 GLU A 488 17.768 -4.689 -3.057 1.00 0.00 H new ATOM 993 N LEU A 489 13.522 -5.303 -1.916 1.00 0.00 N ATOM 994 CA LEU A 489 12.325 -4.909 -2.650 1.00 0.00 C ATOM 995 C LEU A 489 11.959 -3.457 -2.356 1.00 0.00 C ATOM 996 O LEU A 489 12.058 -2.593 -3.228 1.00 0.00 O ATOM 997 CB LEU A 489 11.155 -5.825 -2.286 1.00 0.00 C ATOM 998 CG LEU A 489 11.338 -7.308 -2.611 1.00 0.00 C ATOM 999 CD1 LEU A 489 10.187 -8.124 -2.043 1.00 0.00 C ATOM 1000 CD2 LEU A 489 11.449 -7.514 -4.115 1.00 0.00 C ATOM 0 H LEU A 489 13.448 -6.202 -1.440 1.00 0.00 H new ATOM 0 HA LEU A 489 12.535 -5.003 -3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 489 10.963 -5.729 -1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 489 10.265 -5.467 -2.803 1.00 0.00 H new ATOM 0 HG LEU A 489 12.263 -7.651 -2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 489 10.334 -9.177 -2.284 1.00 0.00 H new ATOM 0 HD12 LEU A 489 10.153 -8.001 -0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 489 9.248 -7.780 -2.477 1.00 0.00 H new ATOM 0 HD21 LEU A 489 11.579 -8.575 -4.328 1.00 0.00 H new ATOM 0 HD22 LEU A 489 10.541 -7.155 -4.599 1.00 0.00 H new ATOM 0 HD23 LEU A 489 12.307 -6.960 -4.496 1.00 0.00 H new ATOM 1012 N LEU A 490 11.539 -3.196 -1.124 1.00 0.00 N ATOM 1013 CA LEU A 490 11.160 -1.848 -0.714 1.00 0.00 C ATOM 1014 C LEU A 490 12.119 -0.813 -1.294 1.00 0.00 C ATOM 1015 O LEU A 490 11.704 0.101 -2.006 1.00 0.00 O ATOM 1016 CB LEU A 490 11.143 -1.744 0.812 1.00 0.00 C ATOM 1017 CG LEU A 490 10.059 -2.552 1.528 1.00 0.00 C ATOM 1018 CD1 LEU A 490 10.299 -2.555 3.029 1.00 0.00 C ATOM 1019 CD2 LEU A 490 8.680 -1.994 1.208 1.00 0.00 C ATOM 0 H LEU A 490 11.452 -3.900 -0.391 1.00 0.00 H new ATOM 0 HA LEU A 490 10.160 -1.646 -1.098 1.00 0.00 H new ATOM 0 HB2 LEU A 490 12.115 -2.063 1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 490 11.025 -0.695 1.083 1.00 0.00 H new ATOM 0 HG LEU A 490 10.105 -3.581 1.172 1.00 0.00 H new ATOM 0 HD11 LEU A 490 9.518 -3.135 3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 490 11.270 -3.001 3.241 1.00 0.00 H new ATOM 0 HD13 LEU A 490 10.281 -1.531 3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 490 7.921 -2.581 1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 490 8.622 -0.956 1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 490 8.507 -2.045 0.133 1.00 0.00 H new ATOM 1031 N ASP A 491 13.402 -0.966 -0.987 1.00 0.00 N ATOM 1032 CA ASP A 491 14.421 -0.046 -1.481 1.00 0.00 C ATOM 1033 C ASP A 491 14.181 0.293 -2.949 1.00 0.00 C ATOM 1034 O ASP A 491 14.419 1.420 -3.384 1.00 0.00 O ATOM 1035 CB ASP A 491 15.814 -0.653 -1.305 1.00 0.00 C ATOM 1036 CG ASP A 491 16.184 -0.842 0.153 1.00 0.00 C ATOM 1037 OD1 ASP A 491 15.357 -1.394 0.907 1.00 0.00 O ATOM 1038 OD2 ASP A 491 17.300 -0.436 0.539 1.00 0.00 O ATOM 0 H ASP A 491 13.762 -1.718 -0.399 1.00 0.00 H new ATOM 0 HA ASP A 491 14.358 0.874 -0.900 1.00 0.00 H new ATOM 0 HB2 ASP A 491 15.855 -1.616 -1.815 1.00 0.00 H new ATOM 0 HB3 ASP A 491 16.551 -0.008 -1.783 1.00 0.00 H new ATOM 1043 N LYS A 492 13.711 -0.690 -3.708 1.00 0.00 N ATOM 1044 CA LYS A 492 13.438 -0.498 -5.128 1.00 0.00 C ATOM 1045 C LYS A 492 12.096 0.197 -5.335 1.00 0.00 C ATOM 1046 O LYS A 492 11.955 1.043 -6.217 1.00 0.00 O ATOM 1047 CB LYS A 492 13.445 -1.843 -5.857 1.00 0.00 C ATOM 1048 CG LYS A 492 13.585 -1.718 -7.364 1.00 0.00 C ATOM 1049 CD LYS A 492 14.302 -2.918 -7.960 1.00 0.00 C ATOM 1050 CE LYS A 492 15.809 -2.716 -7.972 1.00 0.00 C ATOM 1051 NZ LYS A 492 16.463 -3.485 -9.067 1.00 0.00 N ATOM 0 H LYS A 492 13.511 -1.629 -3.364 1.00 0.00 H new ATOM 0 HA LYS A 492 14.223 0.136 -5.540 1.00 0.00 H new ATOM 0 HB2 LYS A 492 14.265 -2.450 -5.474 1.00 0.00 H new ATOM 0 HB3 LYS A 492 12.521 -2.375 -5.629 1.00 0.00 H new ATOM 0 HG2 LYS A 492 12.597 -1.622 -7.815 1.00 0.00 H new ATOM 0 HG3 LYS A 492 14.135 -0.808 -7.605 1.00 0.00 H new ATOM 0 HD2 LYS A 492 14.058 -3.812 -7.385 1.00 0.00 H new ATOM 0 HD3 LYS A 492 13.948 -3.087 -8.977 1.00 0.00 H new ATOM 0 HE2 LYS A 492 16.032 -1.656 -8.089 1.00 0.00 H new ATOM 0 HE3 LYS A 492 16.225 -3.025 -7.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 17.490 -3.321 -9.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 16.271 -4.499 -8.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 16.085 -3.173 -9.984 1.00 0.00 H new ATOM 1065 N MET A 493 11.115 -0.164 -4.515 1.00 0.00 N ATOM 1066 CA MET A 493 9.785 0.427 -4.608 1.00 0.00 C ATOM 1067 C MET A 493 9.811 1.891 -4.181 1.00 0.00 C ATOM 1068 O MET A 493 9.519 2.786 -4.976 1.00 0.00 O ATOM 1069 CB MET A 493 8.795 -0.352 -3.739 1.00 0.00 C ATOM 1070 CG MET A 493 7.341 -0.115 -4.114 1.00 0.00 C ATOM 1071 SD MET A 493 6.705 1.446 -3.474 1.00 0.00 S ATOM 1072 CE MET A 493 6.363 1.001 -1.773 1.00 0.00 C ATOM 0 H MET A 493 11.216 -0.863 -3.779 1.00 0.00 H new ATOM 0 HA MET A 493 9.463 0.375 -5.648 1.00 0.00 H new ATOM 0 HB2 MET A 493 9.014 -1.417 -3.819 1.00 0.00 H new ATOM 0 HB3 MET A 493 8.943 -0.074 -2.696 1.00 0.00 H new ATOM 0 HG2 MET A 493 7.243 -0.125 -5.200 1.00 0.00 H new ATOM 0 HG3 MET A 493 6.733 -0.935 -3.732 1.00 0.00 H new ATOM 0 HE1 MET A 493 5.288 0.888 -1.636 1.00 0.00 H new ATOM 0 HE2 MET A 493 6.860 0.060 -1.536 1.00 0.00 H new ATOM 0 HE3 MET A 493 6.733 1.784 -1.111 1.00 0.00 H new ATOM 1082 N LEU A 494 10.161 2.130 -2.922 1.00 0.00 N ATOM 1083 CA LEU A 494 10.224 3.487 -2.389 1.00 0.00 C ATOM 1084 C LEU A 494 10.814 4.448 -3.416 1.00 0.00 C ATOM 1085 O LEU A 494 10.253 5.511 -3.679 1.00 0.00 O ATOM 1086 CB LEU A 494 11.061 3.514 -1.109 1.00 0.00 C ATOM 1087 CG LEU A 494 10.359 3.034 0.162 1.00 0.00 C ATOM 1088 CD1 LEU A 494 9.254 4.000 0.560 1.00 0.00 C ATOM 1089 CD2 LEU A 494 9.800 1.632 -0.035 1.00 0.00 C ATOM 0 H LEU A 494 10.406 1.402 -2.251 1.00 0.00 H new ATOM 0 HA LEU A 494 9.208 3.809 -2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 494 11.947 2.899 -1.265 1.00 0.00 H new ATOM 0 HB3 LEU A 494 11.406 4.535 -0.946 1.00 0.00 H new ATOM 0 HG LEU A 494 11.092 3.002 0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 494 8.766 3.641 1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 494 9.681 4.986 0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 494 8.521 4.066 -0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 494 9.304 1.306 0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 494 9.082 1.639 -0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 494 10.613 0.946 -0.271 1.00 0.00 H new