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=-0.00412 USER MOD Set 1.2: A 486 THR OG1 : rot 90:sc= 0.647 USER MOD Set 2.1: A 460 CYS SG : rot 90:sc= 0.895 USER MOD Set 2.2: A 469 CYS SG : rot 122:sc= 0.504 USER MOD Set 2.3: A 471 ASN : amide:sc= 0 K(o=0.34,f=1.5) USER MOD Set 2.4: A 475 CYS SG : rot 134:sc= -1.05 USER MOD Set 2.5: A 479 HIS : no HD1:sc= 0 K(o=0.34,f=1.5) USER MOD Set 3.1: A 438 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 453 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 437 CYS SG : rot 104:sc= 1.41 USER MOD Set 4.2: A 445 CYS SG : rot -93:sc= 1.29 USER MOD Set 4.3: A 451 CYS SG : rot -159:sc= 0.269 USER MOD Set 4.4: A 455 HIS : no HE2:sc= -0.218 K(o=2.8,f=-1.8!) USER MOD Single : A 433 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 440 TYR OH : rot -140:sc= 0.151 USER MOD Single : A 442 THR OG1 : rot 180:sc=0.000624 USER MOD Single : A 450 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 454 MET CE :methyl -177:sc= -0.61 (180deg=-0.631) USER MOD Single : A 461 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 463 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 HIS : no HE2:sc= -5.68! C(o=-5.7!,f=-5.7!) USER MOD Single : A 465 THR OG1 : rot -40:sc= 0.817 USER MOD Single : A 466 THR OG1 : rot 180:sc= 0 USER MOD Single : A 468 ASN : amide:sc= -0.0203 K(o=-0.02,f=-0.54) USER MOD Single : A 476 MET CE :methyl 173:sc= -0.315 (180deg=-0.661) USER MOD Single : A 478 SER OG : rot 180:sc= 0 USER MOD Single : A 492 LYS NZ :NH3+ -159:sc= -0.112 (180deg=-0.549) USER MOD Single : A 493 MET CE :methyl 168:sc= 0 (180deg=-0.105) USER MOD ----------------------------------------------------------------- ATOM 136 N LYS A 433 9.300 -10.905 -11.758 1.00 0.00 N ATOM 137 CA LYS A 433 9.383 -9.469 -11.514 1.00 0.00 C ATOM 138 C LYS A 433 9.087 -9.148 -10.052 1.00 0.00 C ATOM 139 O LYS A 433 7.928 -9.033 -9.655 1.00 0.00 O ATOM 140 CB LYS A 433 8.404 -8.720 -12.420 1.00 0.00 C ATOM 141 CG LYS A 433 8.806 -8.723 -13.885 1.00 0.00 C ATOM 142 CD LYS A 433 9.735 -7.565 -14.210 1.00 0.00 C ATOM 143 CE LYS A 433 9.800 -7.306 -15.708 1.00 0.00 C ATOM 144 NZ LYS A 433 10.800 -6.256 -16.047 1.00 0.00 N ATOM 0 HA LYS A 433 10.399 -9.145 -11.741 1.00 0.00 H new ATOM 0 HB2 LYS A 433 7.416 -9.169 -12.322 1.00 0.00 H new ATOM 0 HB3 LYS A 433 8.321 -7.689 -12.077 1.00 0.00 H new ATOM 0 HG2 LYS A 433 9.299 -9.665 -14.126 1.00 0.00 H new ATOM 0 HG3 LYS A 433 7.914 -8.661 -14.508 1.00 0.00 H new ATOM 0 HD2 LYS A 433 9.390 -6.666 -13.699 1.00 0.00 H new ATOM 0 HD3 LYS A 433 10.735 -7.782 -13.834 1.00 0.00 H new ATOM 0 HE2 LYS A 433 10.055 -8.231 -16.226 1.00 0.00 H new ATOM 0 HE3 LYS A 433 8.817 -7.001 -16.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 10.814 -6.109 -17.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 10.543 -5.366 -15.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 11.743 -6.558 -15.728 1.00 0.00 H new ATOM 158 N ARG A 434 10.143 -9.003 -9.258 1.00 0.00 N ATOM 159 CA ARG A 434 9.996 -8.694 -7.841 1.00 0.00 C ATOM 160 C ARG A 434 9.608 -7.232 -7.640 1.00 0.00 C ATOM 161 O ARG A 434 10.270 -6.500 -6.906 1.00 0.00 O ATOM 162 CB ARG A 434 11.296 -8.995 -7.094 1.00 0.00 C ATOM 163 CG ARG A 434 11.522 -10.476 -6.835 1.00 0.00 C ATOM 164 CD ARG A 434 12.019 -11.190 -8.083 1.00 0.00 C ATOM 165 NE ARG A 434 12.801 -12.379 -7.758 1.00 0.00 N ATOM 166 CZ ARG A 434 13.723 -12.895 -8.562 1.00 0.00 C ATOM 167 NH1 ARG A 434 13.979 -12.327 -9.733 1.00 0.00 N ATOM 168 NH2 ARG A 434 14.394 -13.980 -8.196 1.00 0.00 N ATOM 0 H ARG A 434 11.109 -9.095 -9.572 1.00 0.00 H new ATOM 0 HA ARG A 434 9.200 -9.321 -7.439 1.00 0.00 H new ATOM 0 HB2 ARG A 434 12.135 -8.604 -7.670 1.00 0.00 H new ATOM 0 HB3 ARG A 434 11.288 -8.465 -6.141 1.00 0.00 H new ATOM 0 HG2 ARG A 434 12.247 -10.599 -6.031 1.00 0.00 H new ATOM 0 HG3 ARG A 434 10.592 -10.934 -6.499 1.00 0.00 H new ATOM 0 HD2 ARG A 434 11.168 -11.474 -8.701 1.00 0.00 H new ATOM 0 HD3 ARG A 434 12.628 -10.506 -8.674 1.00 0.00 H new ATOM 0 HE ARG A 434 12.630 -12.839 -6.864 1.00 0.00 H new ATOM 0 HH11 ARG A 434 13.467 -11.492 -10.018 1.00 0.00 H new ATOM 0 HH12 ARG A 434 14.688 -12.725 -10.349 1.00 0.00 H new ATOM 0 HH21 ARG A 434 14.202 -14.419 -7.296 1.00 0.00 H new ATOM 0 HH22 ARG A 434 15.102 -14.375 -8.815 1.00 0.00 H new ATOM 182 N GLU A 435 8.531 -6.815 -8.298 1.00 0.00 N ATOM 183 CA GLU A 435 8.056 -5.441 -8.193 1.00 0.00 C ATOM 184 C GLU A 435 6.558 -5.403 -7.905 1.00 0.00 C ATOM 185 O GLU A 435 5.785 -6.174 -8.475 1.00 0.00 O ATOM 186 CB GLU A 435 8.359 -4.673 -9.481 1.00 0.00 C ATOM 187 CG GLU A 435 8.562 -3.182 -9.268 1.00 0.00 C ATOM 188 CD GLU A 435 7.265 -2.452 -8.977 1.00 0.00 C ATOM 189 OE1 GLU A 435 6.558 -2.092 -9.942 1.00 0.00 O ATOM 190 OE2 GLU A 435 6.957 -2.241 -7.785 1.00 0.00 O ATOM 0 H GLU A 435 7.971 -7.409 -8.909 1.00 0.00 H new ATOM 0 HA GLU A 435 8.580 -4.965 -7.364 1.00 0.00 H new ATOM 0 HB2 GLU A 435 9.255 -5.091 -9.941 1.00 0.00 H new ATOM 0 HB3 GLU A 435 7.540 -4.823 -10.184 1.00 0.00 H new ATOM 0 HG2 GLU A 435 9.255 -3.028 -8.441 1.00 0.00 H new ATOM 0 HG3 GLU A 435 9.025 -2.752 -10.156 1.00 0.00 H new ATOM 197 N LEU A 436 6.155 -4.501 -7.017 1.00 0.00 N ATOM 198 CA LEU A 436 4.749 -4.361 -6.652 1.00 0.00 C ATOM 199 C LEU A 436 3.895 -4.062 -7.880 1.00 0.00 C ATOM 200 O LEU A 436 4.027 -3.005 -8.499 1.00 0.00 O ATOM 201 CB LEU A 436 4.579 -3.250 -5.615 1.00 0.00 C ATOM 202 CG LEU A 436 3.141 -2.920 -5.215 1.00 0.00 C ATOM 203 CD1 LEU A 436 2.541 -4.053 -4.395 1.00 0.00 C ATOM 204 CD2 LEU A 436 3.090 -1.613 -4.438 1.00 0.00 C ATOM 0 H LEU A 436 6.782 -3.856 -6.536 1.00 0.00 H new ATOM 0 HA LEU A 436 4.415 -5.305 -6.221 1.00 0.00 H new ATOM 0 HB2 LEU A 436 5.129 -3.531 -4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 436 5.044 -2.344 -6.003 1.00 0.00 H new ATOM 0 HG LEU A 436 2.550 -2.803 -6.123 1.00 0.00 H new ATOM 0 HD11 LEU A 436 1.517 -3.800 -4.119 1.00 0.00 H new ATOM 0 HD12 LEU A 436 2.542 -4.969 -4.985 1.00 0.00 H new ATOM 0 HD13 LEU A 436 3.133 -4.202 -3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 436 2.059 -1.394 -4.162 1.00 0.00 H new ATOM 0 HD22 LEU A 436 3.696 -1.702 -3.537 1.00 0.00 H new ATOM 0 HD23 LEU A 436 3.479 -0.805 -5.058 1.00 0.00 H new ATOM 216 N CYS A 437 3.017 -4.997 -8.226 1.00 0.00 N ATOM 217 CA CYS A 437 2.139 -4.833 -9.378 1.00 0.00 C ATOM 218 C CYS A 437 1.474 -3.460 -9.365 1.00 0.00 C ATOM 219 O CYS A 437 1.042 -2.976 -8.318 1.00 0.00 O ATOM 220 CB CYS A 437 1.071 -5.929 -9.392 1.00 0.00 C ATOM 221 SG CYS A 437 0.262 -6.158 -11.008 1.00 0.00 S ATOM 0 H CYS A 437 2.895 -5.877 -7.725 1.00 0.00 H new ATOM 0 HA CYS A 437 2.746 -4.914 -10.280 1.00 0.00 H new ATOM 0 HB2 CYS A 437 1.528 -6.871 -9.090 1.00 0.00 H new ATOM 0 HB3 CYS A 437 0.311 -5.691 -8.648 1.00 0.00 H new ATOM 0 HG CYS A 437 0.735 -7.224 -11.583 1.00 0.00 H new ATOM 226 N LYS A 438 1.395 -2.835 -10.535 1.00 0.00 N ATOM 227 CA LYS A 438 0.782 -1.518 -10.661 1.00 0.00 C ATOM 228 C LYS A 438 -0.740 -1.621 -10.629 1.00 0.00 C ATOM 229 O LYS A 438 -1.441 -0.610 -10.659 1.00 0.00 O ATOM 230 CB LYS A 438 1.231 -0.845 -11.960 1.00 0.00 C ATOM 231 CG LYS A 438 2.696 -0.442 -11.960 1.00 0.00 C ATOM 232 CD LYS A 438 3.569 -1.514 -12.589 1.00 0.00 C ATOM 233 CE LYS A 438 3.583 -1.403 -14.106 1.00 0.00 C ATOM 234 NZ LYS A 438 4.694 -2.190 -14.710 1.00 0.00 N ATOM 0 H LYS A 438 1.748 -3.220 -11.411 1.00 0.00 H new ATOM 0 HA LYS A 438 1.106 -0.912 -9.815 1.00 0.00 H new ATOM 0 HB2 LYS A 438 1.049 -1.524 -12.793 1.00 0.00 H new ATOM 0 HB3 LYS A 438 0.619 0.041 -12.131 1.00 0.00 H new ATOM 0 HG2 LYS A 438 2.817 0.494 -12.506 1.00 0.00 H new ATOM 0 HG3 LYS A 438 3.024 -0.259 -10.937 1.00 0.00 H new ATOM 0 HD2 LYS A 438 4.586 -1.426 -12.207 1.00 0.00 H new ATOM 0 HD3 LYS A 438 3.203 -2.499 -12.299 1.00 0.00 H new ATOM 0 HE2 LYS A 438 2.631 -1.754 -14.505 1.00 0.00 H new ATOM 0 HE3 LYS A 438 3.682 -0.356 -14.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 438 4.669 -2.088 -15.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 438 5.604 -1.839 -14.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 438 4.586 -3.193 -14.458 1.00 0.00 H new ATOM 248 N PHE A 439 -1.244 -2.849 -10.567 1.00 0.00 N ATOM 249 CA PHE A 439 -2.683 -3.084 -10.531 1.00 0.00 C ATOM 250 C PHE A 439 -3.115 -3.599 -9.161 1.00 0.00 C ATOM 251 O PHE A 439 -4.045 -3.069 -8.552 1.00 0.00 O ATOM 252 CB PHE A 439 -3.085 -4.085 -11.615 1.00 0.00 C ATOM 253 CG PHE A 439 -2.896 -3.565 -13.012 1.00 0.00 C ATOM 254 CD1 PHE A 439 -3.813 -2.688 -13.568 1.00 0.00 C ATOM 255 CD2 PHE A 439 -1.802 -3.953 -13.768 1.00 0.00 C ATOM 256 CE1 PHE A 439 -3.643 -2.207 -14.853 1.00 0.00 C ATOM 257 CE2 PHE A 439 -1.626 -3.475 -15.052 1.00 0.00 C ATOM 258 CZ PHE A 439 -2.548 -2.602 -15.596 1.00 0.00 C ATOM 0 H PHE A 439 -0.677 -3.697 -10.541 1.00 0.00 H new ATOM 0 HA PHE A 439 -3.186 -2.135 -10.719 1.00 0.00 H new ATOM 0 HB2 PHE A 439 -2.499 -4.996 -11.493 1.00 0.00 H new ATOM 0 HB3 PHE A 439 -4.131 -4.358 -11.476 1.00 0.00 H new ATOM 0 HD1 PHE A 439 -4.671 -2.376 -12.991 1.00 0.00 H new ATOM 0 HD2 PHE A 439 -1.079 -4.637 -13.349 1.00 0.00 H new ATOM 0 HE1 PHE A 439 -4.365 -1.524 -15.275 1.00 0.00 H new ATOM 0 HE2 PHE A 439 -0.768 -3.784 -15.630 1.00 0.00 H new ATOM 0 HZ PHE A 439 -2.413 -2.229 -16.601 1.00 0.00 H new ATOM 268 N TYR A 440 -2.436 -4.635 -8.684 1.00 0.00 N ATOM 269 CA TYR A 440 -2.751 -5.225 -7.388 1.00 0.00 C ATOM 270 C TYR A 440 -3.004 -4.142 -6.344 1.00 0.00 C ATOM 271 O TYR A 440 -3.853 -4.297 -5.466 1.00 0.00 O ATOM 272 CB TYR A 440 -1.611 -6.136 -6.928 1.00 0.00 C ATOM 273 CG TYR A 440 -1.978 -7.022 -5.759 1.00 0.00 C ATOM 274 CD1 TYR A 440 -3.060 -7.891 -5.834 1.00 0.00 C ATOM 275 CD2 TYR A 440 -1.245 -6.988 -4.579 1.00 0.00 C ATOM 276 CE1 TYR A 440 -3.399 -8.702 -4.768 1.00 0.00 C ATOM 277 CE2 TYR A 440 -1.577 -7.796 -3.509 1.00 0.00 C ATOM 278 CZ TYR A 440 -2.655 -8.651 -3.608 1.00 0.00 C ATOM 279 OH TYR A 440 -2.989 -9.456 -2.543 1.00 0.00 O ATOM 0 H TYR A 440 -1.663 -5.084 -9.175 1.00 0.00 H new ATOM 0 HA TYR A 440 -3.659 -5.818 -7.498 1.00 0.00 H new ATOM 0 HB2 TYR A 440 -1.298 -6.762 -7.763 1.00 0.00 H new ATOM 0 HB3 TYR A 440 -0.754 -5.521 -6.652 1.00 0.00 H new ATOM 0 HD1 TYR A 440 -3.646 -7.933 -6.741 1.00 0.00 H new ATOM 0 HD2 TYR A 440 -0.401 -6.319 -4.497 1.00 0.00 H new ATOM 0 HE1 TYR A 440 -4.242 -9.372 -4.843 1.00 0.00 H new ATOM 0 HE2 TYR A 440 -0.996 -7.759 -2.600 1.00 0.00 H new ATOM 0 HH TYR A 440 -2.878 -8.956 -1.708 1.00 0.00 H new ATOM 289 N ILE A 441 -2.261 -3.045 -6.447 1.00 0.00 N ATOM 290 CA ILE A 441 -2.405 -1.935 -5.513 1.00 0.00 C ATOM 291 C ILE A 441 -3.871 -1.688 -5.175 1.00 0.00 C ATOM 292 O ILE A 441 -4.212 -1.363 -4.037 1.00 0.00 O ATOM 293 CB ILE A 441 -1.796 -0.639 -6.081 1.00 0.00 C ATOM 294 CG1 ILE A 441 -0.305 -0.833 -6.367 1.00 0.00 C ATOM 295 CG2 ILE A 441 -2.010 0.515 -5.113 1.00 0.00 C ATOM 296 CD1 ILE A 441 0.279 0.227 -7.274 1.00 0.00 C ATOM 0 H ILE A 441 -1.554 -2.901 -7.168 1.00 0.00 H new ATOM 0 HA ILE A 441 -1.867 -2.213 -4.607 1.00 0.00 H new ATOM 0 HB ILE A 441 -2.298 -0.399 -7.018 1.00 0.00 H new ATOM 0 HG12 ILE A 441 0.241 -0.833 -5.423 1.00 0.00 H new ATOM 0 HG13 ILE A 441 -0.155 -1.812 -6.822 1.00 0.00 H new ATOM 0 HG21 ILE A 441 -1.574 1.424 -5.528 1.00 0.00 H new ATOM 0 HG22 ILE A 441 -3.078 0.664 -4.955 1.00 0.00 H new ATOM 0 HG23 ILE A 441 -1.531 0.285 -4.161 1.00 0.00 H new ATOM 0 HD11 ILE A 441 1.338 0.026 -7.433 1.00 0.00 H new ATOM 0 HD12 ILE A 441 -0.241 0.213 -8.232 1.00 0.00 H new ATOM 0 HD13 ILE A 441 0.161 1.207 -6.811 1.00 0.00 H new ATOM 308 N THR A 442 -4.738 -1.846 -6.171 1.00 0.00 N ATOM 309 CA THR A 442 -6.168 -1.642 -5.979 1.00 0.00 C ATOM 310 C THR A 442 -6.892 -2.969 -5.786 1.00 0.00 C ATOM 311 O THR A 442 -7.845 -3.061 -5.013 1.00 0.00 O ATOM 312 CB THR A 442 -6.794 -0.898 -7.174 1.00 0.00 C ATOM 313 OG1 THR A 442 -6.346 -1.480 -8.403 1.00 0.00 O ATOM 314 CG2 THR A 442 -6.429 0.578 -7.143 1.00 0.00 C ATOM 0 H THR A 442 -4.474 -2.115 -7.119 1.00 0.00 H new ATOM 0 HA THR A 442 -6.283 -1.035 -5.081 1.00 0.00 H new ATOM 0 HB THR A 442 -7.878 -0.990 -7.104 1.00 0.00 H new ATOM 0 HG1 THR A 442 -6.750 -1.002 -9.157 1.00 0.00 H new ATOM 0 HG21 THR A 442 -6.882 1.083 -7.996 1.00 0.00 H new ATOM 0 HG22 THR A 442 -6.797 1.025 -6.219 1.00 0.00 H new ATOM 0 HG23 THR A 442 -5.345 0.686 -7.191 1.00 0.00 H new ATOM 322 N GLY A 443 -6.433 -3.997 -6.493 1.00 0.00 N ATOM 323 CA GLY A 443 -7.049 -5.307 -6.384 1.00 0.00 C ATOM 324 C GLY A 443 -7.605 -5.798 -7.706 1.00 0.00 C ATOM 325 O GLY A 443 -8.011 -6.954 -7.826 1.00 0.00 O ATOM 0 H GLY A 443 -5.646 -3.946 -7.139 1.00 0.00 H new ATOM 0 HA2 GLY A 443 -6.313 -6.022 -6.015 1.00 0.00 H new ATOM 0 HA3 GLY A 443 -7.852 -5.267 -5.648 1.00 0.00 H new ATOM 329 N PHE A 444 -7.625 -4.918 -8.701 1.00 0.00 N ATOM 330 CA PHE A 444 -8.138 -5.267 -10.021 1.00 0.00 C ATOM 331 C PHE A 444 -7.000 -5.647 -10.964 1.00 0.00 C ATOM 332 O PHE A 444 -6.455 -4.799 -11.670 1.00 0.00 O ATOM 333 CB PHE A 444 -8.934 -4.099 -10.608 1.00 0.00 C ATOM 334 CG PHE A 444 -9.286 -4.282 -12.056 1.00 0.00 C ATOM 335 CD1 PHE A 444 -9.984 -5.402 -12.478 1.00 0.00 C ATOM 336 CD2 PHE A 444 -8.918 -3.333 -12.997 1.00 0.00 C ATOM 337 CE1 PHE A 444 -10.309 -5.573 -13.810 1.00 0.00 C ATOM 338 CE2 PHE A 444 -9.242 -3.498 -14.331 1.00 0.00 C ATOM 339 CZ PHE A 444 -9.937 -4.620 -14.738 1.00 0.00 C ATOM 0 H PHE A 444 -7.292 -3.957 -8.619 1.00 0.00 H new ATOM 0 HA PHE A 444 -8.798 -6.128 -9.911 1.00 0.00 H new ATOM 0 HB2 PHE A 444 -9.851 -3.969 -10.033 1.00 0.00 H new ATOM 0 HB3 PHE A 444 -8.355 -3.182 -10.496 1.00 0.00 H new ATOM 0 HD1 PHE A 444 -10.278 -6.151 -11.757 1.00 0.00 H new ATOM 0 HD2 PHE A 444 -8.372 -2.455 -12.685 1.00 0.00 H new ATOM 0 HE1 PHE A 444 -10.853 -6.451 -14.125 1.00 0.00 H new ATOM 0 HE2 PHE A 444 -8.952 -2.750 -15.054 1.00 0.00 H new ATOM 0 HZ PHE A 444 -10.189 -4.752 -15.780 1.00 0.00 H new ATOM 349 N CYS A 445 -6.647 -6.928 -10.969 1.00 0.00 N ATOM 350 CA CYS A 445 -5.574 -7.422 -11.823 1.00 0.00 C ATOM 351 C CYS A 445 -6.040 -8.623 -12.641 1.00 0.00 C ATOM 352 O CYS A 445 -6.076 -9.749 -12.145 1.00 0.00 O ATOM 353 CB CYS A 445 -4.358 -7.808 -10.978 1.00 0.00 C ATOM 354 SG CYS A 445 -2.933 -8.392 -11.950 1.00 0.00 S ATOM 0 H CYS A 445 -7.089 -7.643 -10.391 1.00 0.00 H new ATOM 0 HA CYS A 445 -5.293 -6.623 -12.509 1.00 0.00 H new ATOM 0 HB2 CYS A 445 -4.052 -6.945 -10.386 1.00 0.00 H new ATOM 0 HB3 CYS A 445 -4.650 -8.589 -10.276 1.00 0.00 H new ATOM 0 HG CYS A 445 -2.980 -9.687 -12.053 1.00 0.00 H new ATOM 359 N ALA A 446 -6.395 -8.374 -13.897 1.00 0.00 N ATOM 360 CA ALA A 446 -6.856 -9.434 -14.785 1.00 0.00 C ATOM 361 C ALA A 446 -6.061 -10.718 -14.567 1.00 0.00 C ATOM 362 O ALA A 446 -6.619 -11.746 -14.183 1.00 0.00 O ATOM 363 CB ALA A 446 -6.754 -8.989 -16.237 1.00 0.00 C ATOM 0 H ALA A 446 -6.372 -7.447 -14.323 1.00 0.00 H new ATOM 0 HA ALA A 446 -7.901 -9.640 -14.552 1.00 0.00 H new ATOM 0 HB1 ALA A 446 -7.102 -9.791 -16.889 1.00 0.00 H new ATOM 0 HB2 ALA A 446 -7.371 -8.104 -16.390 1.00 0.00 H new ATOM 0 HB3 ALA A 446 -5.716 -8.754 -16.473 1.00 0.00 H new ATOM 369 N ARG A 447 -4.757 -10.650 -14.814 1.00 0.00 N ATOM 370 CA ARG A 447 -3.887 -11.808 -14.646 1.00 0.00 C ATOM 371 C ARG A 447 -3.577 -12.046 -13.171 1.00 0.00 C ATOM 372 O ARG A 447 -2.787 -11.320 -12.568 1.00 0.00 O ATOM 373 CB ARG A 447 -2.586 -11.612 -15.426 1.00 0.00 C ATOM 374 CG ARG A 447 -2.757 -11.718 -16.933 1.00 0.00 C ATOM 375 CD ARG A 447 -1.431 -11.989 -17.626 1.00 0.00 C ATOM 376 NE ARG A 447 -1.599 -12.207 -19.061 1.00 0.00 N ATOM 377 CZ ARG A 447 -0.780 -12.957 -19.790 1.00 0.00 C ATOM 378 NH1 ARG A 447 0.258 -13.556 -19.223 1.00 0.00 N ATOM 379 NH2 ARG A 447 -0.998 -13.108 -21.090 1.00 0.00 N ATOM 0 H ARG A 447 -4.280 -9.806 -15.131 1.00 0.00 H new ATOM 0 HA ARG A 447 -4.408 -12.682 -15.036 1.00 0.00 H new ATOM 0 HB2 ARG A 447 -2.171 -10.634 -15.184 1.00 0.00 H new ATOM 0 HB3 ARG A 447 -1.860 -12.356 -15.098 1.00 0.00 H new ATOM 0 HG2 ARG A 447 -3.460 -12.518 -17.165 1.00 0.00 H new ATOM 0 HG3 ARG A 447 -3.187 -10.793 -17.317 1.00 0.00 H new ATOM 0 HD2 ARG A 447 -0.758 -11.147 -17.463 1.00 0.00 H new ATOM 0 HD3 ARG A 447 -0.960 -12.864 -17.179 1.00 0.00 H new ATOM 0 HE ARG A 447 -2.388 -11.759 -19.528 1.00 0.00 H new ATOM 0 HH11 ARG A 447 0.430 -13.442 -18.224 1.00 0.00 H new ATOM 0 HH12 ARG A 447 0.885 -14.131 -19.786 1.00 0.00 H new ATOM 0 HH21 ARG A 447 -1.795 -12.648 -21.530 1.00 0.00 H new ATOM 0 HH22 ARG A 447 -0.369 -13.684 -21.649 1.00 0.00 H new ATOM 393 N ALA A 448 -4.206 -13.066 -12.596 1.00 0.00 N ATOM 394 CA ALA A 448 -3.997 -13.400 -11.193 1.00 0.00 C ATOM 395 C ALA A 448 -2.740 -14.244 -11.011 1.00 0.00 C ATOM 396 O ALA A 448 -1.705 -13.745 -10.571 1.00 0.00 O ATOM 397 CB ALA A 448 -5.210 -14.131 -10.638 1.00 0.00 C ATOM 0 H ALA A 448 -4.865 -13.675 -13.081 1.00 0.00 H new ATOM 0 HA ALA A 448 -3.862 -12.470 -10.640 1.00 0.00 H new ATOM 0 HB1 ALA A 448 -5.040 -14.374 -9.589 1.00 0.00 H new ATOM 0 HB2 ALA A 448 -6.090 -13.494 -10.725 1.00 0.00 H new ATOM 0 HB3 ALA A 448 -5.371 -15.050 -11.202 1.00 0.00 H new ATOM 403 N GLU A 449 -2.838 -15.525 -11.353 1.00 0.00 N ATOM 404 CA GLU A 449 -1.708 -16.438 -11.225 1.00 0.00 C ATOM 405 C GLU A 449 -0.780 -16.327 -12.431 1.00 0.00 C ATOM 406 O GLU A 449 0.162 -17.104 -12.576 1.00 0.00 O ATOM 407 CB GLU A 449 -2.202 -17.879 -11.079 1.00 0.00 C ATOM 408 CG GLU A 449 -1.093 -18.876 -10.790 1.00 0.00 C ATOM 409 CD GLU A 449 -1.622 -20.257 -10.457 1.00 0.00 C ATOM 410 OE1 GLU A 449 -2.169 -20.431 -9.348 1.00 0.00 O ATOM 411 OE2 GLU A 449 -1.490 -21.164 -11.305 1.00 0.00 O ATOM 0 H GLU A 449 -3.687 -15.954 -11.720 1.00 0.00 H new ATOM 0 HA GLU A 449 -1.149 -16.161 -10.331 1.00 0.00 H new ATOM 0 HB2 GLU A 449 -2.937 -17.923 -10.275 1.00 0.00 H new ATOM 0 HB3 GLU A 449 -2.714 -18.173 -11.995 1.00 0.00 H new ATOM 0 HG2 GLU A 449 -0.435 -18.942 -11.656 1.00 0.00 H new ATOM 0 HG3 GLU A 449 -0.490 -18.512 -9.958 1.00 0.00 H new ATOM 418 N ASN A 450 -1.055 -15.354 -13.294 1.00 0.00 N ATOM 419 CA ASN A 450 -0.246 -15.141 -14.489 1.00 0.00 C ATOM 420 C ASN A 450 0.610 -13.885 -14.349 1.00 0.00 C ATOM 421 O ASN A 450 1.519 -13.648 -15.146 1.00 0.00 O ATOM 422 CB ASN A 450 -1.142 -15.027 -15.723 1.00 0.00 C ATOM 423 CG ASN A 450 -1.814 -16.340 -16.074 1.00 0.00 C ATOM 424 OD1 ASN A 450 -2.852 -16.689 -15.511 1.00 0.00 O ATOM 425 ND2 ASN A 450 -1.222 -17.076 -17.008 1.00 0.00 N ATOM 0 H ASN A 450 -1.831 -14.701 -13.188 1.00 0.00 H new ATOM 0 HA ASN A 450 0.416 -15.999 -14.608 1.00 0.00 H new ATOM 0 HB2 ASN A 450 -1.904 -14.268 -15.546 1.00 0.00 H new ATOM 0 HB3 ASN A 450 -0.546 -14.689 -16.571 1.00 0.00 H new ATOM 0 HD21 ASN A 450 -1.627 -17.970 -17.285 1.00 0.00 H new ATOM 0 HD22 ASN A 450 -0.363 -16.747 -17.448 1.00 0.00 H new ATOM 432 N CYS A 451 0.313 -13.084 -13.332 1.00 0.00 N ATOM 433 CA CYS A 451 1.054 -11.852 -13.086 1.00 0.00 C ATOM 434 C CYS A 451 2.480 -12.156 -12.635 1.00 0.00 C ATOM 435 O CYS A 451 2.715 -12.665 -11.539 1.00 0.00 O ATOM 436 CB CYS A 451 0.342 -11.006 -12.029 1.00 0.00 C ATOM 437 SG CYS A 451 0.975 -9.304 -11.889 1.00 0.00 S ATOM 0 H CYS A 451 -0.436 -13.266 -12.664 1.00 0.00 H new ATOM 0 HA CYS A 451 1.099 -11.292 -14.020 1.00 0.00 H new ATOM 0 HB2 CYS A 451 -0.721 -10.968 -12.265 1.00 0.00 H new ATOM 0 HB3 CYS A 451 0.436 -11.498 -11.061 1.00 0.00 H new ATOM 0 HG CYS A 451 0.652 -8.815 -10.729 1.00 0.00 H new ATOM 442 N PRO A 452 3.454 -11.836 -13.499 1.00 0.00 N ATOM 443 CA PRO A 452 4.873 -12.065 -13.212 1.00 0.00 C ATOM 444 C PRO A 452 5.401 -11.137 -12.122 1.00 0.00 C ATOM 445 O PRO A 452 6.593 -11.140 -11.815 1.00 0.00 O ATOM 446 CB PRO A 452 5.559 -11.765 -14.547 1.00 0.00 C ATOM 447 CG PRO A 452 4.633 -10.830 -15.246 1.00 0.00 C ATOM 448 CD PRO A 452 3.246 -11.227 -14.823 1.00 0.00 C ATOM 0 HA PRO A 452 5.056 -13.073 -12.841 1.00 0.00 H new ATOM 0 HB2 PRO A 452 6.539 -11.313 -14.396 1.00 0.00 H new ATOM 0 HB3 PRO A 452 5.714 -12.675 -15.126 1.00 0.00 H new ATOM 0 HG2 PRO A 452 4.843 -9.796 -14.973 1.00 0.00 H new ATOM 0 HG3 PRO A 452 4.747 -10.904 -16.328 1.00 0.00 H new ATOM 0 HD2 PRO A 452 2.580 -10.365 -14.769 1.00 0.00 H new ATOM 0 HD3 PRO A 452 2.799 -11.932 -15.524 1.00 0.00 H new ATOM 456 N TYR A 453 4.506 -10.346 -11.542 1.00 0.00 N ATOM 457 CA TYR A 453 4.882 -9.411 -10.487 1.00 0.00 C ATOM 458 C TYR A 453 4.548 -9.979 -9.111 1.00 0.00 C ATOM 459 O TYR A 453 3.972 -11.061 -8.997 1.00 0.00 O ATOM 460 CB TYR A 453 4.170 -8.073 -10.686 1.00 0.00 C ATOM 461 CG TYR A 453 4.700 -7.271 -11.853 1.00 0.00 C ATOM 462 CD1 TYR A 453 4.450 -7.665 -13.162 1.00 0.00 C ATOM 463 CD2 TYR A 453 5.452 -6.121 -11.647 1.00 0.00 C ATOM 464 CE1 TYR A 453 4.933 -6.936 -14.231 1.00 0.00 C ATOM 465 CE2 TYR A 453 5.938 -5.386 -12.710 1.00 0.00 C ATOM 466 CZ TYR A 453 5.676 -5.797 -14.001 1.00 0.00 C ATOM 467 OH TYR A 453 6.160 -5.068 -15.063 1.00 0.00 O ATOM 0 H TYR A 453 3.515 -10.333 -11.784 1.00 0.00 H new ATOM 0 HA TYR A 453 5.959 -9.253 -10.543 1.00 0.00 H new ATOM 0 HB2 TYR A 453 3.106 -8.256 -10.836 1.00 0.00 H new ATOM 0 HB3 TYR A 453 4.267 -7.481 -9.776 1.00 0.00 H new ATOM 0 HD1 TYR A 453 3.868 -8.556 -13.346 1.00 0.00 H new ATOM 0 HD2 TYR A 453 5.660 -5.796 -10.638 1.00 0.00 H new ATOM 0 HE1 TYR A 453 4.730 -7.256 -15.242 1.00 0.00 H new ATOM 0 HE2 TYR A 453 6.520 -4.494 -12.532 1.00 0.00 H new ATOM 0 HH TYR A 453 6.661 -4.295 -14.728 1.00 0.00 H new ATOM 477 N MET A 454 4.915 -9.241 -8.069 1.00 0.00 N ATOM 478 CA MET A 454 4.653 -9.669 -6.700 1.00 0.00 C ATOM 479 C MET A 454 3.283 -9.187 -6.232 1.00 0.00 C ATOM 480 O MET A 454 2.869 -8.069 -6.540 1.00 0.00 O ATOM 481 CB MET A 454 5.740 -9.142 -5.761 1.00 0.00 C ATOM 482 CG MET A 454 7.064 -9.877 -5.891 1.00 0.00 C ATOM 483 SD MET A 454 7.088 -11.431 -4.976 1.00 0.00 S ATOM 484 CE MET A 454 8.141 -10.994 -3.595 1.00 0.00 C ATOM 0 H MET A 454 5.395 -8.344 -8.146 1.00 0.00 H new ATOM 0 HA MET A 454 4.662 -10.759 -6.679 1.00 0.00 H new ATOM 0 HB2 MET A 454 5.900 -8.083 -5.963 1.00 0.00 H new ATOM 0 HB3 MET A 454 5.389 -9.221 -4.732 1.00 0.00 H new ATOM 0 HG2 MET A 454 7.262 -10.077 -6.944 1.00 0.00 H new ATOM 0 HG3 MET A 454 7.868 -9.235 -5.531 1.00 0.00 H new ATOM 0 HE1 MET A 454 8.296 -11.869 -2.964 1.00 0.00 H new ATOM 0 HE2 MET A 454 9.102 -10.641 -3.968 1.00 0.00 H new ATOM 0 HE3 MET A 454 7.666 -10.206 -3.011 1.00 0.00 H new ATOM 494 N HIS A 455 2.584 -10.038 -5.487 1.00 0.00 N ATOM 495 CA HIS A 455 1.261 -9.698 -4.977 1.00 0.00 C ATOM 496 C HIS A 455 1.225 -9.790 -3.454 1.00 0.00 C ATOM 497 O HIS A 455 1.218 -8.774 -2.761 1.00 0.00 O ATOM 498 CB HIS A 455 0.205 -10.624 -5.580 1.00 0.00 C ATOM 499 CG HIS A 455 -0.228 -10.223 -6.957 1.00 0.00 C ATOM 500 ND1 HIS A 455 -1.446 -10.580 -7.497 1.00 0.00 N ATOM 501 CD2 HIS A 455 0.402 -9.489 -7.904 1.00 0.00 C ATOM 502 CE1 HIS A 455 -1.545 -10.085 -8.717 1.00 0.00 C ATOM 503 NE2 HIS A 455 -0.438 -9.418 -8.989 1.00 0.00 N ATOM 0 H HIS A 455 2.912 -10.967 -5.223 1.00 0.00 H new ATOM 0 HA HIS A 455 1.041 -8.671 -5.267 1.00 0.00 H new ATOM 0 HB2 HIS A 455 0.601 -11.639 -5.614 1.00 0.00 H new ATOM 0 HB3 HIS A 455 -0.666 -10.643 -4.925 1.00 0.00 H new ATOM 0 HD1 HIS A 455 -2.159 -11.139 -7.027 1.00 0.00 H new ATOM 0 HD2 HIS A 455 1.382 -9.043 -7.822 1.00 0.00 H new ATOM 0 HE1 HIS A 455 -2.389 -10.205 -9.380 1.00 0.00 H new ATOM 511 N GLY A 456 1.203 -11.016 -2.941 1.00 0.00 N ATOM 512 CA GLY A 456 1.167 -11.218 -1.504 1.00 0.00 C ATOM 513 C GLY A 456 2.535 -11.078 -0.865 1.00 0.00 C ATOM 514 O GLY A 456 2.782 -10.136 -0.112 1.00 0.00 O ATOM 0 H GLY A 456 1.209 -11.873 -3.494 1.00 0.00 H new ATOM 0 HA2 GLY A 456 0.484 -10.496 -1.056 1.00 0.00 H new ATOM 0 HA3 GLY A 456 0.769 -12.210 -1.289 1.00 0.00 H new ATOM 518 N ASP A 457 3.425 -12.018 -1.164 1.00 0.00 N ATOM 519 CA ASP A 457 4.775 -11.995 -0.613 1.00 0.00 C ATOM 520 C ASP A 457 5.231 -10.564 -0.350 1.00 0.00 C ATOM 521 O ASP A 457 5.714 -10.244 0.737 1.00 0.00 O ATOM 522 CB ASP A 457 5.750 -12.687 -1.567 1.00 0.00 C ATOM 523 CG ASP A 457 5.139 -13.902 -2.237 1.00 0.00 C ATOM 524 OD1 ASP A 457 4.283 -14.560 -1.609 1.00 0.00 O ATOM 525 OD2 ASP A 457 5.518 -14.196 -3.391 1.00 0.00 O ATOM 0 H ASP A 457 3.236 -12.805 -1.785 1.00 0.00 H new ATOM 0 HA ASP A 457 4.763 -12.533 0.335 1.00 0.00 H new ATOM 0 HB2 ASP A 457 6.072 -11.978 -2.330 1.00 0.00 H new ATOM 0 HB3 ASP A 457 6.641 -12.989 -1.016 1.00 0.00 H new ATOM 530 N PHE A 458 5.076 -9.705 -1.352 1.00 0.00 N ATOM 531 CA PHE A 458 5.473 -8.307 -1.230 1.00 0.00 C ATOM 532 C PHE A 458 5.083 -7.748 0.135 1.00 0.00 C ATOM 533 O PHE A 458 3.937 -7.852 0.572 1.00 0.00 O ATOM 534 CB PHE A 458 4.829 -7.473 -2.339 1.00 0.00 C ATOM 535 CG PHE A 458 5.530 -6.170 -2.594 1.00 0.00 C ATOM 536 CD1 PHE A 458 6.715 -6.134 -3.312 1.00 0.00 C ATOM 537 CD2 PHE A 458 5.006 -4.980 -2.116 1.00 0.00 C ATOM 538 CE1 PHE A 458 7.363 -4.937 -3.547 1.00 0.00 C ATOM 539 CE2 PHE A 458 5.649 -3.779 -2.348 1.00 0.00 C ATOM 540 CZ PHE A 458 6.829 -3.757 -3.065 1.00 0.00 C ATOM 0 H PHE A 458 4.678 -9.953 -2.258 1.00 0.00 H new ATOM 0 HA PHE A 458 6.557 -8.253 -1.328 1.00 0.00 H new ATOM 0 HB2 PHE A 458 4.817 -8.056 -3.260 1.00 0.00 H new ATOM 0 HB3 PHE A 458 3.791 -7.272 -2.075 1.00 0.00 H new ATOM 0 HD1 PHE A 458 7.137 -7.053 -3.692 1.00 0.00 H new ATOM 0 HD2 PHE A 458 4.083 -4.991 -1.555 1.00 0.00 H new ATOM 0 HE1 PHE A 458 8.286 -4.923 -4.107 1.00 0.00 H new ATOM 0 HE2 PHE A 458 5.229 -2.859 -1.969 1.00 0.00 H new ATOM 0 HZ PHE A 458 7.333 -2.820 -3.249 1.00 0.00 H new ATOM 550 N PRO A 459 6.059 -7.140 0.825 1.00 0.00 N ATOM 551 CA PRO A 459 5.843 -6.552 2.150 1.00 0.00 C ATOM 552 C PRO A 459 4.970 -5.303 2.095 1.00 0.00 C ATOM 553 O PRO A 459 4.970 -4.576 1.101 1.00 0.00 O ATOM 554 CB PRO A 459 7.257 -6.195 2.615 1.00 0.00 C ATOM 555 CG PRO A 459 8.035 -6.013 1.357 1.00 0.00 C ATOM 556 CD PRO A 459 7.449 -6.979 0.365 1.00 0.00 C ATOM 0 HA PRO A 459 5.319 -7.236 2.818 1.00 0.00 H new ATOM 0 HB2 PRO A 459 7.258 -5.286 3.216 1.00 0.00 H new ATOM 0 HB3 PRO A 459 7.682 -6.986 3.233 1.00 0.00 H new ATOM 0 HG2 PRO A 459 7.958 -4.988 0.995 1.00 0.00 H new ATOM 0 HG3 PRO A 459 9.094 -6.215 1.520 1.00 0.00 H new ATOM 0 HD2 PRO A 459 7.493 -6.587 -0.651 1.00 0.00 H new ATOM 0 HD3 PRO A 459 7.984 -7.928 0.364 1.00 0.00 H new ATOM 564 N CYS A 460 4.226 -5.059 3.169 1.00 0.00 N ATOM 565 CA CYS A 460 3.348 -3.898 3.243 1.00 0.00 C ATOM 566 C CYS A 460 4.156 -2.614 3.406 1.00 0.00 C ATOM 567 O CYS A 460 5.170 -2.589 4.104 1.00 0.00 O ATOM 568 CB CYS A 460 2.367 -4.047 4.408 1.00 0.00 C ATOM 569 SG CYS A 460 1.214 -2.650 4.593 1.00 0.00 S ATOM 0 H CYS A 460 4.214 -5.650 4.000 1.00 0.00 H new ATOM 0 HA CYS A 460 2.788 -3.838 2.310 1.00 0.00 H new ATOM 0 HB2 CYS A 460 1.792 -4.963 4.270 1.00 0.00 H new ATOM 0 HB3 CYS A 460 2.933 -4.162 5.333 1.00 0.00 H new ATOM 0 HG CYS A 460 0.143 -2.876 3.892 1.00 0.00 H new ATOM 574 N LYS A 461 3.700 -1.548 2.756 1.00 0.00 N ATOM 575 CA LYS A 461 4.378 -0.259 2.829 1.00 0.00 C ATOM 576 C LYS A 461 4.085 0.436 4.155 1.00 0.00 C ATOM 577 O LYS A 461 4.979 0.619 4.982 1.00 0.00 O ATOM 578 CB LYS A 461 3.944 0.635 1.665 1.00 0.00 C ATOM 579 CG LYS A 461 4.632 1.989 1.649 1.00 0.00 C ATOM 580 CD LYS A 461 4.315 2.761 0.379 1.00 0.00 C ATOM 581 CE LYS A 461 5.062 4.084 0.330 1.00 0.00 C ATOM 582 NZ LYS A 461 4.787 4.830 -0.930 1.00 0.00 N ATOM 0 H LYS A 461 2.863 -1.552 2.173 1.00 0.00 H new ATOM 0 HA LYS A 461 5.451 -0.437 2.762 1.00 0.00 H new ATOM 0 HB2 LYS A 461 4.150 0.121 0.726 1.00 0.00 H new ATOM 0 HB3 LYS A 461 2.866 0.785 1.716 1.00 0.00 H new ATOM 0 HG2 LYS A 461 4.316 2.569 2.516 1.00 0.00 H new ATOM 0 HG3 LYS A 461 5.710 1.851 1.733 1.00 0.00 H new ATOM 0 HD2 LYS A 461 4.581 2.159 -0.490 1.00 0.00 H new ATOM 0 HD3 LYS A 461 3.242 2.945 0.322 1.00 0.00 H new ATOM 0 HE2 LYS A 461 4.773 4.696 1.185 1.00 0.00 H new ATOM 0 HE3 LYS A 461 6.133 3.900 0.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 5.315 5.726 -0.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 5.086 4.257 -1.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 3.769 5.028 -1.001 1.00 0.00 H new ATOM 596 N LEU A 462 2.828 0.820 4.351 1.00 0.00 N ATOM 597 CA LEU A 462 2.417 1.494 5.578 1.00 0.00 C ATOM 598 C LEU A 462 2.985 0.786 6.804 1.00 0.00 C ATOM 599 O LEU A 462 3.699 1.389 7.606 1.00 0.00 O ATOM 600 CB LEU A 462 0.891 1.547 5.666 1.00 0.00 C ATOM 601 CG LEU A 462 0.205 2.602 4.798 1.00 0.00 C ATOM 602 CD1 LEU A 462 -1.306 2.517 4.948 1.00 0.00 C ATOM 603 CD2 LEU A 462 0.701 3.995 5.158 1.00 0.00 C ATOM 0 H LEU A 462 2.076 0.676 3.677 1.00 0.00 H new ATOM 0 HA LEU A 462 2.809 2.511 5.555 1.00 0.00 H new ATOM 0 HB2 LEU A 462 0.497 0.568 5.392 1.00 0.00 H new ATOM 0 HB3 LEU A 462 0.613 1.723 6.705 1.00 0.00 H new ATOM 0 HG LEU A 462 0.458 2.407 3.756 1.00 0.00 H new ATOM 0 HD11 LEU A 462 -1.777 3.276 4.323 1.00 0.00 H new ATOM 0 HD12 LEU A 462 -1.647 1.529 4.639 1.00 0.00 H new ATOM 0 HD13 LEU A 462 -1.578 2.685 5.990 1.00 0.00 H new ATOM 0 HD21 LEU A 462 0.202 4.733 4.530 1.00 0.00 H new ATOM 0 HD22 LEU A 462 0.480 4.201 6.205 1.00 0.00 H new ATOM 0 HD23 LEU A 462 1.778 4.051 4.997 1.00 0.00 H new ATOM 615 N TYR A 463 2.664 -0.495 6.943 1.00 0.00 N ATOM 616 CA TYR A 463 3.141 -1.285 8.071 1.00 0.00 C ATOM 617 C TYR A 463 4.610 -0.991 8.360 1.00 0.00 C ATOM 618 O TYR A 463 5.091 -1.202 9.474 1.00 0.00 O ATOM 619 CB TYR A 463 2.954 -2.778 7.792 1.00 0.00 C ATOM 620 CG TYR A 463 3.359 -3.665 8.947 1.00 0.00 C ATOM 621 CD1 TYR A 463 2.479 -3.926 9.990 1.00 0.00 C ATOM 622 CD2 TYR A 463 4.621 -4.244 8.995 1.00 0.00 C ATOM 623 CE1 TYR A 463 2.845 -4.736 11.047 1.00 0.00 C ATOM 624 CE2 TYR A 463 4.995 -5.056 10.048 1.00 0.00 C ATOM 625 CZ TYR A 463 4.104 -5.299 11.072 1.00 0.00 C ATOM 626 OH TYR A 463 4.471 -6.107 12.123 1.00 0.00 O ATOM 0 H TYR A 463 2.075 -1.009 6.288 1.00 0.00 H new ATOM 0 HA TYR A 463 2.554 -1.010 8.947 1.00 0.00 H new ATOM 0 HB2 TYR A 463 1.908 -2.966 7.550 1.00 0.00 H new ATOM 0 HB3 TYR A 463 3.538 -3.051 6.913 1.00 0.00 H new ATOM 0 HD1 TYR A 463 1.492 -3.488 9.974 1.00 0.00 H new ATOM 0 HD2 TYR A 463 5.322 -4.056 8.195 1.00 0.00 H new ATOM 0 HE1 TYR A 463 2.149 -4.928 11.850 1.00 0.00 H new ATOM 0 HE2 TYR A 463 5.980 -5.498 10.069 1.00 0.00 H new ATOM 0 HH TYR A 463 5.388 -6.424 11.987 1.00 0.00 H new ATOM 636 N HIS A 464 5.319 -0.501 7.347 1.00 0.00 N ATOM 637 CA HIS A 464 6.733 -0.175 7.491 1.00 0.00 C ATOM 638 C HIS A 464 6.925 1.321 7.725 1.00 0.00 C ATOM 639 O HIS A 464 7.621 1.731 8.655 1.00 0.00 O ATOM 640 CB HIS A 464 7.508 -0.612 6.248 1.00 0.00 C ATOM 641 CG HIS A 464 7.693 -2.095 6.148 1.00 0.00 C ATOM 642 ND1 HIS A 464 8.006 -2.888 7.231 1.00 0.00 N ATOM 643 CD2 HIS A 464 7.607 -2.928 5.085 1.00 0.00 C ATOM 644 CE1 HIS A 464 8.106 -4.146 6.839 1.00 0.00 C ATOM 645 NE2 HIS A 464 7.868 -4.197 5.541 1.00 0.00 N ATOM 0 H HIS A 464 4.937 -0.321 6.418 1.00 0.00 H new ATOM 0 HA HIS A 464 7.118 -0.713 8.358 1.00 0.00 H new ATOM 0 HB2 HIS A 464 6.983 -0.259 5.360 1.00 0.00 H new ATOM 0 HB3 HIS A 464 8.486 -0.132 6.252 1.00 0.00 H new ATOM 0 HD1 HIS A 464 8.140 -2.556 8.186 1.00 0.00 H new ATOM 0 HD2 HIS A 464 7.376 -2.647 4.068 1.00 0.00 H new ATOM 0 HE1 HIS A 464 8.342 -4.989 7.472 1.00 0.00 H new ATOM 653 N THR A 465 6.304 2.132 6.875 1.00 0.00 N ATOM 654 CA THR A 465 6.407 3.582 6.988 1.00 0.00 C ATOM 655 C THR A 465 6.592 4.008 8.440 1.00 0.00 C ATOM 656 O THR A 465 7.466 4.817 8.755 1.00 0.00 O ATOM 657 CB THR A 465 5.161 4.281 6.414 1.00 0.00 C ATOM 658 OG1 THR A 465 3.997 3.892 7.153 1.00 0.00 O ATOM 659 CG2 THR A 465 4.974 3.933 4.945 1.00 0.00 C ATOM 0 H THR A 465 5.724 1.810 6.100 1.00 0.00 H new ATOM 0 HA THR A 465 7.281 3.883 6.410 1.00 0.00 H new ATOM 0 HB THR A 465 5.303 5.358 6.501 1.00 0.00 H new ATOM 0 HG1 THR A 465 4.045 2.935 7.360 1.00 0.00 H new ATOM 0 HG21 THR A 465 4.088 4.438 4.561 1.00 0.00 H new ATOM 0 HG22 THR A 465 5.849 4.256 4.380 1.00 0.00 H new ATOM 0 HG23 THR A 465 4.851 2.855 4.839 1.00 0.00 H new ATOM 667 N THR A 466 5.763 3.460 9.323 1.00 0.00 N ATOM 668 CA THR A 466 5.835 3.784 10.742 1.00 0.00 C ATOM 669 C THR A 466 5.936 2.522 11.590 1.00 0.00 C ATOM 670 O THR A 466 6.559 2.523 12.651 1.00 0.00 O ATOM 671 CB THR A 466 4.607 4.597 11.195 1.00 0.00 C ATOM 672 OG1 THR A 466 3.412 3.837 10.986 1.00 0.00 O ATOM 673 CG2 THR A 466 4.518 5.912 10.435 1.00 0.00 C ATOM 0 H THR A 466 5.034 2.789 9.080 1.00 0.00 H new ATOM 0 HA THR A 466 6.733 4.386 10.884 1.00 0.00 H new ATOM 0 HB THR A 466 4.716 4.817 12.257 1.00 0.00 H new ATOM 0 HG1 THR A 466 2.636 4.360 11.278 1.00 0.00 H new ATOM 0 HG21 THR A 466 3.643 6.468 10.772 1.00 0.00 H new ATOM 0 HG22 THR A 466 5.416 6.501 10.620 1.00 0.00 H new ATOM 0 HG23 THR A 466 4.430 5.710 9.367 1.00 0.00 H new ATOM 681 N GLY A 467 5.318 1.444 11.115 1.00 0.00 N ATOM 682 CA GLY A 467 5.352 0.189 11.843 1.00 0.00 C ATOM 683 C GLY A 467 3.986 -0.462 11.939 1.00 0.00 C ATOM 684 O GLY A 467 3.873 -1.687 11.927 1.00 0.00 O ATOM 0 H GLY A 467 4.795 1.418 10.240 1.00 0.00 H new ATOM 0 HA2 GLY A 467 6.043 -0.495 11.350 1.00 0.00 H new ATOM 0 HA3 GLY A 467 5.739 0.365 12.847 1.00 0.00 H new ATOM 688 N ASN A 468 2.946 0.360 12.036 1.00 0.00 N ATOM 689 CA ASN A 468 1.581 -0.143 12.137 1.00 0.00 C ATOM 690 C ASN A 468 0.794 0.159 10.865 1.00 0.00 C ATOM 691 O ASN A 468 0.992 1.196 10.231 1.00 0.00 O ATOM 692 CB ASN A 468 0.875 0.475 13.346 1.00 0.00 C ATOM 693 CG ASN A 468 -0.336 -0.327 13.781 1.00 0.00 C ATOM 694 OD1 ASN A 468 -0.291 -1.556 13.841 1.00 0.00 O ATOM 695 ND2 ASN A 468 -1.426 0.366 14.087 1.00 0.00 N ATOM 0 H ASN A 468 3.023 1.377 12.047 1.00 0.00 H new ATOM 0 HA ASN A 468 1.628 -1.224 12.266 1.00 0.00 H new ATOM 0 HB2 ASN A 468 1.578 0.546 14.176 1.00 0.00 H new ATOM 0 HB3 ASN A 468 0.566 1.491 13.102 1.00 0.00 H new ATOM 0 HD21 ASN A 468 -2.272 -0.119 14.386 1.00 0.00 H new ATOM 0 HD22 ASN A 468 -1.418 1.384 14.023 1.00 0.00 H new ATOM 702 N CYS A 469 -0.099 -0.754 10.498 1.00 0.00 N ATOM 703 CA CYS A 469 -0.916 -0.587 9.302 1.00 0.00 C ATOM 704 C CYS A 469 -2.356 -0.240 9.672 1.00 0.00 C ATOM 705 O CYS A 469 -3.042 -1.019 10.335 1.00 0.00 O ATOM 706 CB CYS A 469 -0.888 -1.862 8.457 1.00 0.00 C ATOM 707 SG CYS A 469 -1.539 -1.650 6.769 1.00 0.00 S ATOM 0 H CYS A 469 -0.275 -1.617 11.012 1.00 0.00 H new ATOM 0 HA CYS A 469 -0.500 0.235 8.720 1.00 0.00 H new ATOM 0 HB2 CYS A 469 0.139 -2.222 8.396 1.00 0.00 H new ATOM 0 HB3 CYS A 469 -1.467 -2.634 8.964 1.00 0.00 H new ATOM 0 HG CYS A 469 -0.625 -1.982 5.906 1.00 0.00 H new ATOM 712 N ILE A 470 -2.806 0.932 9.238 1.00 0.00 N ATOM 713 CA ILE A 470 -4.164 1.380 9.521 1.00 0.00 C ATOM 714 C ILE A 470 -5.184 0.305 9.164 1.00 0.00 C ATOM 715 O ILE A 470 -6.178 0.120 9.866 1.00 0.00 O ATOM 716 CB ILE A 470 -4.503 2.670 8.751 1.00 0.00 C ATOM 717 CG1 ILE A 470 -5.893 3.175 9.145 1.00 0.00 C ATOM 718 CG2 ILE A 470 -4.428 2.427 7.251 1.00 0.00 C ATOM 719 CD1 ILE A 470 -5.957 3.732 10.550 1.00 0.00 C ATOM 0 H ILE A 470 -2.251 1.588 8.689 1.00 0.00 H new ATOM 0 HA ILE A 470 -4.213 1.582 10.591 1.00 0.00 H new ATOM 0 HB ILE A 470 -3.771 3.434 9.013 1.00 0.00 H new ATOM 0 HG12 ILE A 470 -6.203 3.948 8.442 1.00 0.00 H new ATOM 0 HG13 ILE A 470 -6.607 2.357 9.054 1.00 0.00 H new ATOM 0 HG21 ILE A 470 -4.670 3.348 6.721 1.00 0.00 H new ATOM 0 HG22 ILE A 470 -3.420 2.109 6.984 1.00 0.00 H new ATOM 0 HG23 ILE A 470 -5.140 1.650 6.972 1.00 0.00 H new ATOM 0 HD11 ILE A 470 -6.971 4.071 10.761 1.00 0.00 H new ATOM 0 HD12 ILE A 470 -5.678 2.955 11.262 1.00 0.00 H new ATOM 0 HD13 ILE A 470 -5.268 4.571 10.640 1.00 0.00 H new ATOM 731 N ASN A 471 -4.930 -0.403 8.068 1.00 0.00 N ATOM 732 CA ASN A 471 -5.826 -1.462 7.617 1.00 0.00 C ATOM 733 C ASN A 471 -6.157 -2.417 8.760 1.00 0.00 C ATOM 734 O ASN A 471 -7.323 -2.715 9.016 1.00 0.00 O ATOM 735 CB ASN A 471 -5.194 -2.235 6.458 1.00 0.00 C ATOM 736 CG ASN A 471 -5.186 -1.439 5.168 1.00 0.00 C ATOM 737 OD1 ASN A 471 -4.160 -0.885 4.773 1.00 0.00 O ATOM 738 ND2 ASN A 471 -6.335 -1.377 4.504 1.00 0.00 N ATOM 0 H ASN A 471 -4.111 -0.263 7.476 1.00 0.00 H new ATOM 0 HA ASN A 471 -6.751 -0.999 7.274 1.00 0.00 H new ATOM 0 HB2 ASN A 471 -4.171 -2.506 6.721 1.00 0.00 H new ATOM 0 HB3 ASN A 471 -5.741 -3.165 6.304 1.00 0.00 H new ATOM 0 HD21 ASN A 471 -6.391 -0.855 3.630 1.00 0.00 H new ATOM 0 HD22 ASN A 471 -7.161 -1.852 4.869 1.00 0.00 H new ATOM 745 N GLY A 472 -5.122 -2.894 9.444 1.00 0.00 N ATOM 746 CA GLY A 472 -5.323 -3.810 10.552 1.00 0.00 C ATOM 747 C GLY A 472 -4.933 -5.233 10.206 1.00 0.00 C ATOM 748 O GLY A 472 -4.078 -5.459 9.348 1.00 0.00 O ATOM 0 H GLY A 472 -4.148 -2.663 9.251 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -4.738 -3.474 11.408 1.00 0.00 H new ATOM 0 HA3 GLY A 472 -6.370 -3.787 10.853 1.00 0.00 H new ATOM 752 N ASP A 473 -5.558 -6.196 10.874 1.00 0.00 N ATOM 753 CA ASP A 473 -5.270 -7.605 10.633 1.00 0.00 C ATOM 754 C ASP A 473 -5.996 -8.102 9.387 1.00 0.00 C ATOM 755 O ASP A 473 -6.077 -9.306 9.142 1.00 0.00 O ATOM 756 CB ASP A 473 -5.678 -8.445 11.845 1.00 0.00 C ATOM 757 CG ASP A 473 -7.093 -8.153 12.302 1.00 0.00 C ATOM 758 OD1 ASP A 473 -7.951 -7.878 11.437 1.00 0.00 O ATOM 759 OD2 ASP A 473 -7.343 -8.198 13.525 1.00 0.00 O ATOM 0 H ASP A 473 -6.268 -6.027 11.587 1.00 0.00 H new ATOM 0 HA ASP A 473 -4.197 -7.709 10.473 1.00 0.00 H new ATOM 0 HB2 ASP A 473 -5.591 -9.503 11.596 1.00 0.00 H new ATOM 0 HB3 ASP A 473 -4.987 -8.252 12.666 1.00 0.00 H new ATOM 764 N ASP A 474 -6.522 -7.168 8.602 1.00 0.00 N ATOM 765 CA ASP A 474 -7.240 -7.510 7.381 1.00 0.00 C ATOM 766 C ASP A 474 -6.626 -6.809 6.174 1.00 0.00 C ATOM 767 O ASP A 474 -7.331 -6.425 5.240 1.00 0.00 O ATOM 768 CB ASP A 474 -8.717 -7.132 7.509 1.00 0.00 C ATOM 769 CG ASP A 474 -9.436 -7.954 8.561 1.00 0.00 C ATOM 770 OD1 ASP A 474 -8.940 -9.050 8.899 1.00 0.00 O ATOM 771 OD2 ASP A 474 -10.493 -7.502 9.046 1.00 0.00 O ATOM 0 H ASP A 474 -6.464 -6.167 8.790 1.00 0.00 H new ATOM 0 HA ASP A 474 -7.160 -8.587 7.232 1.00 0.00 H new ATOM 0 HB2 ASP A 474 -8.798 -6.075 7.760 1.00 0.00 H new ATOM 0 HB3 ASP A 474 -9.209 -7.269 6.546 1.00 0.00 H new ATOM 776 N CYS A 475 -5.308 -6.643 6.200 1.00 0.00 N ATOM 777 CA CYS A 475 -4.597 -5.986 5.109 1.00 0.00 C ATOM 778 C CYS A 475 -4.387 -6.946 3.941 1.00 0.00 C ATOM 779 O CYS A 475 -4.080 -8.121 4.138 1.00 0.00 O ATOM 780 CB CYS A 475 -3.248 -5.457 5.598 1.00 0.00 C ATOM 781 SG CYS A 475 -2.334 -4.490 4.353 1.00 0.00 S ATOM 0 H CYS A 475 -4.710 -6.955 6.965 1.00 0.00 H new ATOM 0 HA CYS A 475 -5.204 -5.149 4.764 1.00 0.00 H new ATOM 0 HB2 CYS A 475 -3.411 -4.835 6.478 1.00 0.00 H new ATOM 0 HB3 CYS A 475 -2.632 -6.299 5.913 1.00 0.00 H new ATOM 0 HG CYS A 475 -1.885 -3.397 4.896 1.00 0.00 H new ATOM 786 N MET A 476 -4.555 -6.435 2.726 1.00 0.00 N ATOM 787 CA MET A 476 -4.382 -7.246 1.526 1.00 0.00 C ATOM 788 C MET A 476 -2.906 -7.372 1.163 1.00 0.00 C ATOM 789 O MET A 476 -2.560 -7.644 0.013 1.00 0.00 O ATOM 790 CB MET A 476 -5.156 -6.635 0.356 1.00 0.00 C ATOM 791 CG MET A 476 -4.750 -5.206 0.038 1.00 0.00 C ATOM 792 SD MET A 476 -3.231 -5.114 -0.929 1.00 0.00 S ATOM 793 CE MET A 476 -3.856 -5.454 -2.573 1.00 0.00 C ATOM 0 H MET A 476 -4.811 -5.464 2.546 1.00 0.00 H new ATOM 0 HA MET A 476 -4.774 -8.242 1.731 1.00 0.00 H new ATOM 0 HB2 MET A 476 -5.006 -7.252 -0.530 1.00 0.00 H new ATOM 0 HB3 MET A 476 -6.222 -6.659 0.584 1.00 0.00 H new ATOM 0 HG2 MET A 476 -5.555 -4.717 -0.510 1.00 0.00 H new ATOM 0 HG3 MET A 476 -4.617 -4.654 0.969 1.00 0.00 H new ATOM 0 HE1 MET A 476 -3.059 -5.310 -3.302 1.00 0.00 H new ATOM 0 HE2 MET A 476 -4.211 -6.483 -2.622 1.00 0.00 H new ATOM 0 HE3 MET A 476 -4.679 -4.775 -2.797 1.00 0.00 H new ATOM 803 N PHE A 477 -2.039 -7.174 2.151 1.00 0.00 N ATOM 804 CA PHE A 477 -0.600 -7.264 1.935 1.00 0.00 C ATOM 805 C PHE A 477 0.054 -8.150 2.992 1.00 0.00 C ATOM 806 O PHE A 477 -0.524 -8.404 4.049 1.00 0.00 O ATOM 807 CB PHE A 477 0.030 -5.870 1.961 1.00 0.00 C ATOM 808 CG PHE A 477 -0.127 -5.118 0.671 1.00 0.00 C ATOM 809 CD1 PHE A 477 0.265 -5.686 -0.531 1.00 0.00 C ATOM 810 CD2 PHE A 477 -0.666 -3.841 0.659 1.00 0.00 C ATOM 811 CE1 PHE A 477 0.122 -4.997 -1.720 1.00 0.00 C ATOM 812 CE2 PHE A 477 -0.812 -3.147 -0.527 1.00 0.00 C ATOM 813 CZ PHE A 477 -0.417 -3.725 -1.718 1.00 0.00 C ATOM 0 H PHE A 477 -2.308 -6.950 3.109 1.00 0.00 H new ATOM 0 HA PHE A 477 -0.432 -7.712 0.956 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -0.421 -5.291 2.767 1.00 0.00 H new ATOM 0 HB3 PHE A 477 1.091 -5.964 2.191 1.00 0.00 H new ATOM 0 HD1 PHE A 477 0.688 -6.680 -0.538 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -0.975 -3.383 1.587 1.00 0.00 H new ATOM 0 HE1 PHE A 477 0.431 -5.452 -2.649 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -1.235 -2.153 -0.523 1.00 0.00 H new ATOM 0 HZ PHE A 477 -0.529 -3.184 -2.646 1.00 0.00 H new ATOM 823 N SER A 478 1.263 -8.617 2.698 1.00 0.00 N ATOM 824 CA SER A 478 1.994 -9.478 3.620 1.00 0.00 C ATOM 825 C SER A 478 2.662 -8.655 4.718 1.00 0.00 C ATOM 826 O SER A 478 3.394 -7.705 4.439 1.00 0.00 O ATOM 827 CB SER A 478 3.047 -10.292 2.865 1.00 0.00 C ATOM 828 OG SER A 478 2.510 -11.520 2.407 1.00 0.00 O ATOM 0 H SER A 478 1.757 -8.414 1.829 1.00 0.00 H new ATOM 0 HA SER A 478 1.281 -10.160 4.084 1.00 0.00 H new ATOM 0 HB2 SER A 478 3.418 -9.715 2.018 1.00 0.00 H new ATOM 0 HB3 SER A 478 3.899 -10.485 3.517 1.00 0.00 H new ATOM 0 HG SER A 478 3.202 -12.021 1.926 1.00 0.00 H new ATOM 834 N HIS A 479 2.405 -9.027 5.968 1.00 0.00 N ATOM 835 CA HIS A 479 2.981 -8.324 7.109 1.00 0.00 C ATOM 836 C HIS A 479 4.192 -9.075 7.654 1.00 0.00 C ATOM 837 O HIS A 479 4.523 -8.964 8.834 1.00 0.00 O ATOM 838 CB HIS A 479 1.934 -8.153 8.210 1.00 0.00 C ATOM 839 CG HIS A 479 0.992 -7.014 7.969 1.00 0.00 C ATOM 840 ND1 HIS A 479 0.175 -6.493 8.950 1.00 0.00 N ATOM 841 CD2 HIS A 479 0.740 -6.295 6.850 1.00 0.00 C ATOM 842 CE1 HIS A 479 -0.540 -5.503 8.444 1.00 0.00 C ATOM 843 NE2 HIS A 479 -0.215 -5.363 7.172 1.00 0.00 N ATOM 0 H HIS A 479 1.802 -9.811 6.217 1.00 0.00 H new ATOM 0 HA HIS A 479 3.307 -7.340 6.772 1.00 0.00 H new ATOM 0 HB2 HIS A 479 1.360 -9.075 8.301 1.00 0.00 H new ATOM 0 HB3 HIS A 479 2.442 -7.999 9.162 1.00 0.00 H new ATOM 0 HD2 HIS A 479 1.204 -6.430 5.884 1.00 0.00 H new ATOM 0 HE1 HIS A 479 -1.266 -4.910 8.980 1.00 0.00 H new ATOM 0 HE2 HIS A 479 -0.610 -4.674 6.532 1.00 0.00 H new ATOM 851 N ASP A 480 4.848 -9.838 6.787 1.00 0.00 N ATOM 852 CA ASP A 480 6.023 -10.607 7.181 1.00 0.00 C ATOM 853 C ASP A 480 7.203 -9.686 7.472 1.00 0.00 C ATOM 854 O ASP A 480 7.289 -8.567 6.964 1.00 0.00 O ATOM 855 CB ASP A 480 6.397 -11.605 6.084 1.00 0.00 C ATOM 856 CG ASP A 480 6.835 -10.921 4.804 1.00 0.00 C ATOM 857 OD1 ASP A 480 7.983 -10.432 4.755 1.00 0.00 O ATOM 858 OD2 ASP A 480 6.029 -10.876 3.851 1.00 0.00 O ATOM 0 H ASP A 480 4.586 -9.941 5.807 1.00 0.00 H new ATOM 0 HA ASP A 480 5.780 -11.154 8.092 1.00 0.00 H new ATOM 0 HB2 ASP A 480 7.200 -12.249 6.441 1.00 0.00 H new ATOM 0 HB3 ASP A 480 5.542 -12.248 5.875 1.00 0.00 H new ATOM 863 N PRO A 481 8.135 -10.163 8.310 1.00 0.00 N ATOM 864 CA PRO A 481 9.326 -9.398 8.688 1.00 0.00 C ATOM 865 C PRO A 481 10.307 -9.242 7.531 1.00 0.00 C ATOM 866 O PRO A 481 10.799 -10.230 6.983 1.00 0.00 O ATOM 867 CB PRO A 481 9.948 -10.239 9.806 1.00 0.00 C ATOM 868 CG PRO A 481 9.472 -11.626 9.547 1.00 0.00 C ATOM 869 CD PRO A 481 8.097 -11.487 8.953 1.00 0.00 C ATOM 0 HA PRO A 481 9.077 -8.380 8.989 1.00 0.00 H new ATOM 0 HB2 PRO A 481 11.036 -10.184 9.784 1.00 0.00 H new ATOM 0 HB3 PRO A 481 9.631 -9.889 10.788 1.00 0.00 H new ATOM 0 HG2 PRO A 481 10.142 -12.147 8.863 1.00 0.00 H new ATOM 0 HG3 PRO A 481 9.442 -12.207 10.469 1.00 0.00 H new ATOM 0 HD2 PRO A 481 7.889 -12.278 8.232 1.00 0.00 H new ATOM 0 HD3 PRO A 481 7.322 -11.540 9.717 1.00 0.00 H new ATOM 877 N LEU A 482 10.588 -7.997 7.163 1.00 0.00 N ATOM 878 CA LEU A 482 11.511 -7.712 6.070 1.00 0.00 C ATOM 879 C LEU A 482 12.704 -8.661 6.104 1.00 0.00 C ATOM 880 O LEU A 482 13.321 -8.865 7.150 1.00 0.00 O ATOM 881 CB LEU A 482 11.995 -6.263 6.149 1.00 0.00 C ATOM 882 CG LEU A 482 10.975 -5.193 5.760 1.00 0.00 C ATOM 883 CD1 LEU A 482 11.578 -3.804 5.901 1.00 0.00 C ATOM 884 CD2 LEU A 482 10.480 -5.420 4.339 1.00 0.00 C ATOM 0 H LEU A 482 10.190 -7.169 7.605 1.00 0.00 H new ATOM 0 HA LEU A 482 10.979 -7.860 5.130 1.00 0.00 H new ATOM 0 HB2 LEU A 482 12.327 -6.067 7.169 1.00 0.00 H new ATOM 0 HB3 LEU A 482 12.867 -6.157 5.504 1.00 0.00 H new ATOM 0 HG LEU A 482 10.123 -5.267 6.436 1.00 0.00 H new ATOM 0 HD11 LEU A 482 10.837 -3.055 5.620 1.00 0.00 H new ATOM 0 HD12 LEU A 482 11.882 -3.643 6.935 1.00 0.00 H new ATOM 0 HD13 LEU A 482 12.447 -3.717 5.249 1.00 0.00 H new ATOM 0 HD21 LEU A 482 9.755 -4.649 4.079 1.00 0.00 H new ATOM 0 HD22 LEU A 482 11.322 -5.374 3.649 1.00 0.00 H new ATOM 0 HD23 LEU A 482 10.008 -6.400 4.270 1.00 0.00 H new ATOM 896 N THR A 483 13.028 -9.239 4.950 1.00 0.00 N ATOM 897 CA THR A 483 14.148 -10.166 4.847 1.00 0.00 C ATOM 898 C THR A 483 15.301 -9.549 4.065 1.00 0.00 C ATOM 899 O THR A 483 15.166 -8.468 3.491 1.00 0.00 O ATOM 900 CB THR A 483 13.727 -11.482 4.167 1.00 0.00 C ATOM 901 OG1 THR A 483 13.313 -11.227 2.821 1.00 0.00 O ATOM 902 CG2 THR A 483 12.595 -12.149 4.934 1.00 0.00 C ATOM 0 H THR A 483 12.530 -9.081 4.074 1.00 0.00 H new ATOM 0 HA THR A 483 14.476 -10.380 5.864 1.00 0.00 H new ATOM 0 HB THR A 483 14.586 -12.153 4.161 1.00 0.00 H new ATOM 0 HG1 THR A 483 13.048 -12.069 2.395 1.00 0.00 H new ATOM 0 HG21 THR A 483 12.314 -13.077 4.435 1.00 0.00 H new ATOM 0 HG22 THR A 483 12.924 -12.368 5.950 1.00 0.00 H new ATOM 0 HG23 THR A 483 11.735 -11.480 4.967 1.00 0.00 H new ATOM 910 N GLU A 484 16.435 -10.243 4.045 1.00 0.00 N ATOM 911 CA GLU A 484 17.612 -9.761 3.332 1.00 0.00 C ATOM 912 C GLU A 484 17.253 -9.346 1.908 1.00 0.00 C ATOM 913 O GLU A 484 17.809 -8.387 1.372 1.00 0.00 O ATOM 914 CB GLU A 484 18.695 -10.842 3.302 1.00 0.00 C ATOM 915 CG GLU A 484 19.902 -10.470 2.457 1.00 0.00 C ATOM 916 CD GLU A 484 20.770 -11.668 2.121 1.00 0.00 C ATOM 917 OE1 GLU A 484 21.556 -12.095 2.992 1.00 0.00 O ATOM 918 OE2 GLU A 484 20.662 -12.178 0.986 1.00 0.00 O ATOM 0 H GLU A 484 16.563 -11.140 4.514 1.00 0.00 H new ATOM 0 HA GLU A 484 17.994 -8.888 3.861 1.00 0.00 H new ATOM 0 HB2 GLU A 484 19.024 -11.044 4.321 1.00 0.00 H new ATOM 0 HB3 GLU A 484 18.264 -11.766 2.918 1.00 0.00 H new ATOM 0 HG2 GLU A 484 19.564 -10.001 1.533 1.00 0.00 H new ATOM 0 HG3 GLU A 484 20.500 -9.731 2.990 1.00 0.00 H new ATOM 925 N GLU A 485 16.322 -10.075 1.302 1.00 0.00 N ATOM 926 CA GLU A 485 15.890 -9.783 -0.060 1.00 0.00 C ATOM 927 C GLU A 485 14.920 -8.605 -0.083 1.00 0.00 C ATOM 928 O GLU A 485 15.282 -7.493 -0.469 1.00 0.00 O ATOM 929 CB GLU A 485 15.230 -11.014 -0.685 1.00 0.00 C ATOM 930 CG GLU A 485 14.762 -10.794 -2.114 1.00 0.00 C ATOM 931 CD GLU A 485 15.906 -10.795 -3.109 1.00 0.00 C ATOM 932 OE1 GLU A 485 17.046 -10.492 -2.701 1.00 0.00 O ATOM 933 OE2 GLU A 485 15.660 -11.098 -4.295 1.00 0.00 O ATOM 0 H GLU A 485 15.852 -10.872 1.732 1.00 0.00 H new ATOM 0 HA GLU A 485 16.771 -9.517 -0.644 1.00 0.00 H new ATOM 0 HB2 GLU A 485 15.937 -11.844 -0.667 1.00 0.00 H new ATOM 0 HB3 GLU A 485 14.377 -11.308 -0.073 1.00 0.00 H new ATOM 0 HG2 GLU A 485 14.050 -11.574 -2.383 1.00 0.00 H new ATOM 0 HG3 GLU A 485 14.232 -9.844 -2.177 1.00 0.00 H new ATOM 940 N THR A 486 13.683 -8.857 0.334 1.00 0.00 N ATOM 941 CA THR A 486 12.659 -7.820 0.361 1.00 0.00 C ATOM 942 C THR A 486 13.253 -6.471 0.750 1.00 0.00 C ATOM 943 O THR A 486 13.065 -5.474 0.052 1.00 0.00 O ATOM 944 CB THR A 486 11.527 -8.173 1.344 1.00 0.00 C ATOM 945 OG1 THR A 486 12.028 -8.180 2.686 1.00 0.00 O ATOM 946 CG2 THR A 486 10.928 -9.531 1.015 1.00 0.00 C ATOM 0 H THR A 486 13.366 -9.771 0.658 1.00 0.00 H new ATOM 0 HA THR A 486 12.248 -7.756 -0.646 1.00 0.00 H new ATOM 0 HB THR A 486 10.747 -7.417 1.251 1.00 0.00 H new ATOM 0 HG1 THR A 486 11.936 -7.285 3.074 1.00 0.00 H new ATOM 0 HG21 THR A 486 10.131 -9.758 1.723 1.00 0.00 H new ATOM 0 HG22 THR A 486 10.521 -9.514 0.004 1.00 0.00 H new ATOM 0 HG23 THR A 486 11.702 -10.296 1.082 1.00 0.00 H new ATOM 954 N ARG A 487 13.972 -6.446 1.868 1.00 0.00 N ATOM 955 CA ARG A 487 14.593 -5.219 2.350 1.00 0.00 C ATOM 956 C ARG A 487 15.173 -4.412 1.192 1.00 0.00 C ATOM 957 O ARG A 487 14.963 -3.203 1.099 1.00 0.00 O ATOM 958 CB ARG A 487 15.693 -5.542 3.362 1.00 0.00 C ATOM 959 CG ARG A 487 16.025 -4.386 4.292 1.00 0.00 C ATOM 960 CD ARG A 487 16.733 -3.262 3.551 1.00 0.00 C ATOM 961 NE ARG A 487 17.424 -2.356 4.464 1.00 0.00 N ATOM 962 CZ ARG A 487 18.475 -1.621 4.115 1.00 0.00 C ATOM 963 NH1 ARG A 487 18.952 -1.685 2.879 1.00 0.00 N ATOM 964 NH2 ARG A 487 19.050 -0.820 5.002 1.00 0.00 N ATOM 0 H ARG A 487 14.138 -7.262 2.457 1.00 0.00 H new ATOM 0 HA ARG A 487 13.824 -4.620 2.839 1.00 0.00 H new ATOM 0 HB2 ARG A 487 15.385 -6.400 3.959 1.00 0.00 H new ATOM 0 HB3 ARG A 487 16.595 -5.835 2.824 1.00 0.00 H new ATOM 0 HG2 ARG A 487 15.109 -4.006 4.743 1.00 0.00 H new ATOM 0 HG3 ARG A 487 16.657 -4.742 5.106 1.00 0.00 H new ATOM 0 HD2 ARG A 487 17.451 -3.686 2.849 1.00 0.00 H new ATOM 0 HD3 ARG A 487 16.006 -2.701 2.964 1.00 0.00 H new ATOM 0 HE ARG A 487 17.081 -2.283 5.422 1.00 0.00 H new ATOM 0 HH11 ARG A 487 18.512 -2.299 2.194 1.00 0.00 H new ATOM 0 HH12 ARG A 487 19.759 -1.120 2.614 1.00 0.00 H new ATOM 0 HH21 ARG A 487 18.686 -0.768 5.953 1.00 0.00 H new ATOM 0 HH22 ARG A 487 19.857 -0.257 4.733 1.00 0.00 H new ATOM 978 N GLU A 488 15.905 -5.090 0.313 1.00 0.00 N ATOM 979 CA GLU A 488 16.517 -4.436 -0.837 1.00 0.00 C ATOM 980 C GLU A 488 15.451 -3.862 -1.766 1.00 0.00 C ATOM 981 O GLU A 488 15.569 -2.732 -2.242 1.00 0.00 O ATOM 982 CB GLU A 488 17.400 -5.423 -1.604 1.00 0.00 C ATOM 983 CG GLU A 488 18.365 -4.754 -2.568 1.00 0.00 C ATOM 984 CD GLU A 488 17.670 -4.195 -3.795 1.00 0.00 C ATOM 985 OE1 GLU A 488 16.619 -4.746 -4.183 1.00 0.00 O ATOM 986 OE2 GLU A 488 18.178 -3.208 -4.367 1.00 0.00 O ATOM 0 H GLU A 488 16.088 -6.091 0.376 1.00 0.00 H new ATOM 0 HA GLU A 488 17.135 -3.617 -0.470 1.00 0.00 H new ATOM 0 HB2 GLU A 488 17.968 -6.020 -0.890 1.00 0.00 H new ATOM 0 HB3 GLU A 488 16.763 -6.111 -2.160 1.00 0.00 H new ATOM 0 HG2 GLU A 488 18.888 -3.948 -2.052 1.00 0.00 H new ATOM 0 HG3 GLU A 488 19.120 -5.476 -2.880 1.00 0.00 H new ATOM 993 N LEU A 489 14.411 -4.648 -2.021 1.00 0.00 N ATOM 994 CA LEU A 489 13.324 -4.220 -2.894 1.00 0.00 C ATOM 995 C LEU A 489 12.832 -2.828 -2.509 1.00 0.00 C ATOM 996 O LEU A 489 12.976 -1.873 -3.273 1.00 0.00 O ATOM 997 CB LEU A 489 12.167 -5.218 -2.828 1.00 0.00 C ATOM 998 CG LEU A 489 12.415 -6.577 -3.483 1.00 0.00 C ATOM 999 CD1 LEU A 489 11.229 -7.503 -3.259 1.00 0.00 C ATOM 1000 CD2 LEU A 489 12.688 -6.410 -4.971 1.00 0.00 C ATOM 0 H LEU A 489 14.298 -5.585 -1.635 1.00 0.00 H new ATOM 0 HA LEU A 489 13.705 -4.182 -3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 489 11.915 -5.383 -1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 489 11.295 -4.764 -3.298 1.00 0.00 H new ATOM 0 HG LEU A 489 13.293 -7.026 -3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 489 11.424 -8.465 -3.732 1.00 0.00 H new ATOM 0 HD12 LEU A 489 11.078 -7.649 -2.189 1.00 0.00 H new ATOM 0 HD13 LEU A 489 10.334 -7.059 -3.694 1.00 0.00 H new ATOM 0 HD21 LEU A 489 12.862 -7.387 -5.421 1.00 0.00 H new ATOM 0 HD22 LEU A 489 11.828 -5.939 -5.448 1.00 0.00 H new ATOM 0 HD23 LEU A 489 13.569 -5.784 -5.111 1.00 0.00 H new ATOM 1012 N LEU A 490 12.253 -2.720 -1.318 1.00 0.00 N ATOM 1013 CA LEU A 490 11.742 -1.444 -0.829 1.00 0.00 C ATOM 1014 C LEU A 490 12.689 -0.304 -1.189 1.00 0.00 C ATOM 1015 O LEU A 490 12.288 0.676 -1.818 1.00 0.00 O ATOM 1016 CB LEU A 490 11.544 -1.498 0.687 1.00 0.00 C ATOM 1017 CG LEU A 490 10.304 -2.249 1.175 1.00 0.00 C ATOM 1018 CD1 LEU A 490 10.369 -2.464 2.679 1.00 0.00 C ATOM 1019 CD2 LEU A 490 9.039 -1.492 0.796 1.00 0.00 C ATOM 0 H LEU A 490 12.126 -3.500 -0.673 1.00 0.00 H new ATOM 0 HA LEU A 490 10.781 -1.259 -1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 490 12.424 -1.962 1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 490 11.497 -0.476 1.064 1.00 0.00 H new ATOM 0 HG LEU A 490 10.278 -3.225 0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 490 9.479 -3.000 3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 490 11.256 -3.048 2.925 1.00 0.00 H new ATOM 0 HD13 LEU A 490 10.419 -1.499 3.183 1.00 0.00 H new ATOM 0 HD21 LEU A 490 8.167 -2.041 1.151 1.00 0.00 H new ATOM 0 HD22 LEU A 490 9.056 -0.503 1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 490 8.987 -1.390 -0.288 1.00 0.00 H new ATOM 1031 N ASP A 491 13.949 -0.439 -0.788 1.00 0.00 N ATOM 1032 CA ASP A 491 14.955 0.578 -1.071 1.00 0.00 C ATOM 1033 C ASP A 491 14.827 1.085 -2.504 1.00 0.00 C ATOM 1034 O ASP A 491 14.938 2.284 -2.762 1.00 0.00 O ATOM 1035 CB ASP A 491 16.358 0.016 -0.839 1.00 0.00 C ATOM 1036 CG ASP A 491 16.681 -0.146 0.633 1.00 0.00 C ATOM 1037 OD1 ASP A 491 15.739 -0.348 1.428 1.00 0.00 O ATOM 1038 OD2 ASP A 491 17.875 -0.071 0.991 1.00 0.00 O ATOM 0 H ASP A 491 14.298 -1.243 -0.266 1.00 0.00 H new ATOM 0 HA ASP A 491 14.791 1.415 -0.393 1.00 0.00 H new ATOM 0 HB2 ASP A 491 16.446 -0.950 -1.336 1.00 0.00 H new ATOM 0 HB3 ASP A 491 17.092 0.678 -1.298 1.00 0.00 H new ATOM 1043 N LYS A 492 14.593 0.165 -3.433 1.00 0.00 N ATOM 1044 CA LYS A 492 14.449 0.517 -4.841 1.00 0.00 C ATOM 1045 C LYS A 492 13.077 1.124 -5.113 1.00 0.00 C ATOM 1046 O LYS A 492 12.970 2.214 -5.673 1.00 0.00 O ATOM 1047 CB LYS A 492 14.656 -0.718 -5.721 1.00 0.00 C ATOM 1048 CG LYS A 492 15.023 -0.387 -7.157 1.00 0.00 C ATOM 1049 CD LYS A 492 13.800 0.008 -7.968 1.00 0.00 C ATOM 1050 CE LYS A 492 14.192 0.678 -9.276 1.00 0.00 C ATOM 1051 NZ LYS A 492 14.924 1.955 -9.047 1.00 0.00 N ATOM 0 H LYS A 492 14.499 -0.831 -3.236 1.00 0.00 H new ATOM 0 HA LYS A 492 15.209 1.259 -5.083 1.00 0.00 H new ATOM 0 HB2 LYS A 492 15.442 -1.335 -5.287 1.00 0.00 H new ATOM 0 HB3 LYS A 492 13.744 -1.314 -5.716 1.00 0.00 H new ATOM 0 HG2 LYS A 492 15.748 0.427 -7.170 1.00 0.00 H new ATOM 0 HG3 LYS A 492 15.504 -1.249 -7.619 1.00 0.00 H new ATOM 0 HD2 LYS A 492 13.199 -0.877 -8.177 1.00 0.00 H new ATOM 0 HD3 LYS A 492 13.177 0.685 -7.383 1.00 0.00 H new ATOM 0 HE2 LYS A 492 14.817 0.001 -9.858 1.00 0.00 H new ATOM 0 HE3 LYS A 492 13.297 0.873 -9.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 14.864 2.547 -9.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 14.498 2.460 -8.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 15.922 1.750 -8.838 1.00 0.00 H new ATOM 1065 N MET A 493 12.029 0.411 -4.711 1.00 0.00 N ATOM 1066 CA MET A 493 10.663 0.881 -4.909 1.00 0.00 C ATOM 1067 C MET A 493 10.500 2.308 -4.395 1.00 0.00 C ATOM 1068 O MET A 493 10.136 3.212 -5.147 1.00 0.00 O ATOM 1069 CB MET A 493 9.674 -0.046 -4.200 1.00 0.00 C ATOM 1070 CG MET A 493 8.227 0.190 -4.601 1.00 0.00 C ATOM 1071 SD MET A 493 7.489 1.595 -3.746 1.00 0.00 S ATOM 1072 CE MET A 493 6.876 0.804 -2.261 1.00 0.00 C ATOM 0 H MET A 493 12.100 -0.494 -4.246 1.00 0.00 H new ATOM 0 HA MET A 493 10.453 0.873 -5.979 1.00 0.00 H new ATOM 0 HB2 MET A 493 9.939 -1.081 -4.417 1.00 0.00 H new ATOM 0 HB3 MET A 493 9.771 0.088 -3.123 1.00 0.00 H new ATOM 0 HG2 MET A 493 8.175 0.356 -5.677 1.00 0.00 H new ATOM 0 HG3 MET A 493 7.644 -0.706 -4.388 1.00 0.00 H new ATOM 0 HE1 MET A 493 6.585 1.565 -1.537 1.00 0.00 H new ATOM 0 HE2 MET A 493 6.011 0.188 -2.507 1.00 0.00 H new ATOM 0 HE3 MET A 493 7.658 0.177 -1.833 1.00 0.00 H new ATOM 1082 N LEU A 494 10.771 2.503 -3.109 1.00 0.00 N ATOM 1083 CA LEU A 494 10.653 3.820 -2.493 1.00 0.00 C ATOM 1084 C LEU A 494 11.518 4.842 -3.225 1.00 0.00 C ATOM 1085 O LEU A 494 11.026 5.876 -3.677 1.00 0.00 O ATOM 1086 CB LEU A 494 11.058 3.755 -1.020 1.00 0.00 C ATOM 1087 CG LEU A 494 10.276 2.768 -0.152 1.00 0.00 C ATOM 1088 CD1 LEU A 494 10.907 2.652 1.226 1.00 0.00 C ATOM 1089 CD2 LEU A 494 8.820 3.194 -0.039 1.00 0.00 C ATOM 0 H LEU A 494 11.074 1.766 -2.473 1.00 0.00 H new ATOM 0 HA LEU A 494 9.612 4.134 -2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 494 12.116 3.497 -0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 494 10.950 4.751 -0.590 1.00 0.00 H new ATOM 0 HG LEU A 494 10.311 1.788 -0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 494 10.337 1.945 1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 494 11.934 2.299 1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 494 10.904 3.628 1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 494 8.279 2.480 0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 494 8.765 4.184 0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 494 8.371 3.224 -1.032 1.00 0.00 H new