USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 438 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 434 CYS SG : rot -58:sc= 0.627 USER MOD Set 1.2: A 436 THR OG1 : rot -179:sc= -0.0243! USER MOD Set 1.3: A 439 CYS SG : rot -68:sc= -4.56! USER MOD Set 1.4: A 463 HIS :FLIP no HD1:sc= -2.97 F(o=-9.9,f=-8.6) USER MOD Set 1.5: A 465 HIS : no HE2:sc= -1.68 K(o=-8.6,f=-9.5) USER MOD Set 2.1: A 416 LYS NZ :NH3+ -155:sc= -0.119 (180deg=-0.62) USER MOD Set 2.2: A 419 GLN : amide:sc= 0 X(o=-0.12,f=-0.21) USER MOD Single : A 412 TYR OH : rot 180:sc= 0 USER MOD Single : A 417 TYR OH : rot 150:sc= -0.851 USER MOD Single : A 420 LYS NZ :NH3+ -138:sc= -0.108 (180deg=-0.634) USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 425 ASN : amide:sc= -0.21 K(o=-0.21,f=-0.96) USER MOD Single : A 427 TYR OH : rot 180:sc= 0 USER MOD Single : A 430 SER OG : rot 180:sc= 0 USER MOD Single : A 431 TYR OH : rot 15:sc= -0.222 USER MOD Single : A 432 TYR OH : rot 180:sc= 0 USER MOD Single : A 433 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00433) USER MOD Single : A 435 THR OG1 : rot -65:sc= 0.687 USER MOD Single : A 443 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 444 HIS :FLIP no HE2:sc= -0.512 F(o=-2.4,f=-0.51) USER MOD Single : A 450 THR OG1 : rot 180:sc= -0.0287 USER MOD Single : A 453 LYS NZ :NH3+ 155:sc= -0.0293 (180deg=-0.316) USER MOD Single : A 457 THR OG1 : rot 180:sc= 0 USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 459 TYR OH : rot 180:sc= 0 USER MOD Single : A 462 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 464 ASN : amide:sc= -0.563 X(o=-0.56,f=-0.48!) USER MOD ----------------------------------------------------------------- ATOM 185 N TYR A 412 1.190 9.403 8.162 1.00 0.00 N ATOM 186 CA TYR A 412 0.125 10.268 7.672 1.00 0.00 C ATOM 187 C TYR A 412 -1.218 9.873 8.279 1.00 0.00 C ATOM 188 O TYR A 412 -1.305 8.915 9.048 1.00 0.00 O ATOM 189 CB TYR A 412 0.046 10.205 6.146 1.00 0.00 C ATOM 190 CG TYR A 412 1.103 11.032 5.449 1.00 0.00 C ATOM 191 CD1 TYR A 412 1.382 12.329 5.862 1.00 0.00 C ATOM 192 CD2 TYR A 412 1.822 10.515 4.379 1.00 0.00 C ATOM 193 CE1 TYR A 412 2.348 13.087 5.227 1.00 0.00 C ATOM 194 CE2 TYR A 412 2.789 11.268 3.739 1.00 0.00 C ATOM 195 CZ TYR A 412 3.048 12.553 4.167 1.00 0.00 C ATOM 196 OH TYR A 412 4.009 13.305 3.533 1.00 0.00 O ATOM 0 HA TYR A 412 0.355 11.290 7.973 1.00 0.00 H new ATOM 0 HB2 TYR A 412 0.141 9.167 5.828 1.00 0.00 H new ATOM 0 HB3 TYR A 412 -0.939 10.547 5.827 1.00 0.00 H new ATOM 0 HD1 TYR A 412 0.836 12.752 6.692 1.00 0.00 H new ATOM 0 HD2 TYR A 412 1.623 9.509 4.041 1.00 0.00 H new ATOM 0 HE1 TYR A 412 2.553 14.094 5.560 1.00 0.00 H new ATOM 0 HE2 TYR A 412 3.339 10.852 2.908 1.00 0.00 H new ATOM 0 HH TYR A 412 4.409 12.781 2.808 1.00 0.00 H new ATOM 206 N ARG A 413 -2.262 10.616 7.929 1.00 0.00 N ATOM 207 CA ARG A 413 -3.601 10.342 8.438 1.00 0.00 C ATOM 208 C ARG A 413 -4.336 9.356 7.535 1.00 0.00 C ATOM 209 O ARG A 413 -5.089 9.755 6.648 1.00 0.00 O ATOM 210 CB ARG A 413 -4.401 11.641 8.553 1.00 0.00 C ATOM 211 CG ARG A 413 -5.328 11.678 9.758 1.00 0.00 C ATOM 212 CD ARG A 413 -5.050 12.883 10.646 1.00 0.00 C ATOM 213 NE ARG A 413 -6.280 13.550 11.064 1.00 0.00 N ATOM 214 CZ ARG A 413 -7.065 14.243 10.242 1.00 0.00 C ATOM 215 NH1 ARG A 413 -6.751 14.364 8.958 1.00 0.00 N ATOM 216 NH2 ARG A 413 -8.167 14.818 10.705 1.00 0.00 N ATOM 0 H ARG A 413 -2.207 11.413 7.295 1.00 0.00 H new ATOM 0 HA ARG A 413 -3.502 9.895 9.427 1.00 0.00 H new ATOM 0 HB2 ARG A 413 -3.709 12.481 8.611 1.00 0.00 H new ATOM 0 HB3 ARG A 413 -4.991 11.777 7.646 1.00 0.00 H new ATOM 0 HG2 ARG A 413 -6.364 11.707 9.420 1.00 0.00 H new ATOM 0 HG3 ARG A 413 -5.207 10.763 10.338 1.00 0.00 H new ATOM 0 HD2 ARG A 413 -4.494 12.563 11.527 1.00 0.00 H new ATOM 0 HD3 ARG A 413 -4.418 13.591 10.109 1.00 0.00 H new ATOM 0 HE ARG A 413 -6.554 13.481 12.044 1.00 0.00 H new ATOM 0 HH11 ARG A 413 -5.904 13.925 8.596 1.00 0.00 H new ATOM 0 HH12 ARG A 413 -7.356 14.896 8.333 1.00 0.00 H new ATOM 0 HH21 ARG A 413 -8.413 14.729 11.691 1.00 0.00 H new ATOM 0 HH22 ARG A 413 -8.768 15.349 10.075 1.00 0.00 H new ATOM 230 N TRP A 414 -4.109 8.067 7.768 1.00 0.00 N ATOM 231 CA TRP A 414 -4.750 7.025 6.974 1.00 0.00 C ATOM 232 C TRP A 414 -6.026 6.532 7.653 1.00 0.00 C ATOM 233 O TRP A 414 -6.291 6.859 8.810 1.00 0.00 O ATOM 234 CB TRP A 414 -3.790 5.855 6.759 1.00 0.00 C ATOM 235 CG TRP A 414 -2.473 6.267 6.175 1.00 0.00 C ATOM 236 CD1 TRP A 414 -1.323 6.543 6.859 1.00 0.00 C ATOM 237 CD2 TRP A 414 -2.170 6.454 4.787 1.00 0.00 C ATOM 238 NE1 TRP A 414 -0.325 6.889 5.980 1.00 0.00 N ATOM 239 CE2 TRP A 414 -0.819 6.840 4.704 1.00 0.00 C ATOM 240 CE3 TRP A 414 -2.910 6.329 3.608 1.00 0.00 C ATOM 241 CZ2 TRP A 414 -0.194 7.105 3.486 1.00 0.00 C ATOM 242 CZ3 TRP A 414 -2.287 6.591 2.401 1.00 0.00 C ATOM 243 CH2 TRP A 414 -0.942 6.973 2.348 1.00 0.00 C ATOM 0 H TRP A 414 -3.487 7.720 8.498 1.00 0.00 H new ATOM 0 HA TRP A 414 -5.015 7.451 6.006 1.00 0.00 H new ATOM 0 HB2 TRP A 414 -3.616 5.357 7.713 1.00 0.00 H new ATOM 0 HB3 TRP A 414 -4.260 5.126 6.099 1.00 0.00 H new ATOM 0 HD1 TRP A 414 -1.214 6.496 7.932 1.00 0.00 H new ATOM 0 HE1 TRP A 414 0.629 7.141 6.237 1.00 0.00 H new ATOM 0 HE3 TRP A 414 -3.948 6.034 3.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 414 0.843 7.404 3.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 414 -2.849 6.499 1.483 1.00 0.00 H new ATOM 0 HH2 TRP A 414 -0.485 7.168 1.389 1.00 0.00 H new ATOM 254 N ARG A 415 -6.809 5.743 6.925 1.00 0.00 N ATOM 255 CA ARG A 415 -8.056 5.205 7.456 1.00 0.00 C ATOM 256 C ARG A 415 -8.539 4.026 6.617 1.00 0.00 C ATOM 257 O ARG A 415 -8.267 3.951 5.418 1.00 0.00 O ATOM 258 CB ARG A 415 -9.131 6.295 7.498 1.00 0.00 C ATOM 259 CG ARG A 415 -9.729 6.507 8.879 1.00 0.00 C ATOM 260 CD ARG A 415 -10.963 5.644 9.093 1.00 0.00 C ATOM 261 NE ARG A 415 -12.120 6.436 9.506 1.00 0.00 N ATOM 262 CZ ARG A 415 -12.872 7.141 8.665 1.00 0.00 C ATOM 263 NH1 ARG A 415 -12.595 7.159 7.367 1.00 0.00 N ATOM 264 NH2 ARG A 415 -13.909 7.830 9.124 1.00 0.00 N ATOM 0 H ARG A 415 -6.602 5.462 5.966 1.00 0.00 H new ATOM 0 HA ARG A 415 -7.869 4.853 8.470 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -8.699 7.233 7.150 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -9.928 6.034 6.802 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -8.984 6.272 9.639 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -9.992 7.557 9.005 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -11.198 5.112 8.171 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -10.751 4.890 9.851 1.00 0.00 H new ATOM 0 HE ARG A 415 -12.365 6.449 10.496 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -11.801 6.630 7.008 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -13.177 7.702 6.729 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -14.128 7.818 10.120 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -14.487 8.371 8.481 1.00 0.00 H new ATOM 278 N LYS A 416 -9.257 3.107 7.254 1.00 0.00 N ATOM 279 CA LYS A 416 -9.777 1.932 6.565 1.00 0.00 C ATOM 280 C LYS A 416 -11.213 2.164 6.104 1.00 0.00 C ATOM 281 O LYS A 416 -12.058 2.622 6.875 1.00 0.00 O ATOM 282 CB LYS A 416 -9.716 0.709 7.481 1.00 0.00 C ATOM 283 CG LYS A 416 -9.858 -0.611 6.744 1.00 0.00 C ATOM 284 CD LYS A 416 -9.179 -1.746 7.494 1.00 0.00 C ATOM 285 CE LYS A 416 -9.758 -3.097 7.105 1.00 0.00 C ATOM 286 NZ LYS A 416 -11.192 -3.217 7.490 1.00 0.00 N ATOM 0 H LYS A 416 -9.492 3.153 8.246 1.00 0.00 H new ATOM 0 HA LYS A 416 -9.156 1.752 5.688 1.00 0.00 H new ATOM 0 HB2 LYS A 416 -8.768 0.715 8.018 1.00 0.00 H new ATOM 0 HB3 LYS A 416 -10.506 0.785 8.228 1.00 0.00 H new ATOM 0 HG2 LYS A 416 -10.915 -0.843 6.611 1.00 0.00 H new ATOM 0 HG3 LYS A 416 -9.424 -0.521 5.748 1.00 0.00 H new ATOM 0 HD2 LYS A 416 -8.109 -1.733 7.284 1.00 0.00 H new ATOM 0 HD3 LYS A 416 -9.295 -1.595 8.567 1.00 0.00 H new ATOM 0 HE2 LYS A 416 -9.658 -3.239 6.029 1.00 0.00 H new ATOM 0 HE3 LYS A 416 -9.185 -3.890 7.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 416 -11.436 -4.221 7.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 416 -11.355 -2.711 8.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 416 -11.787 -2.803 6.744 1.00 0.00 H new ATOM 300 N TYR A 417 -11.483 1.843 4.841 1.00 0.00 N ATOM 301 CA TYR A 417 -12.817 2.016 4.278 1.00 0.00 C ATOM 302 C TYR A 417 -13.452 0.667 3.960 1.00 0.00 C ATOM 303 O TYR A 417 -14.661 0.487 4.110 1.00 0.00 O ATOM 304 CB TYR A 417 -12.751 2.873 3.014 1.00 0.00 C ATOM 305 CG TYR A 417 -11.927 2.257 1.906 1.00 0.00 C ATOM 306 CD1 TYR A 417 -12.507 1.412 0.969 1.00 0.00 C ATOM 307 CD2 TYR A 417 -10.566 2.521 1.796 1.00 0.00 C ATOM 308 CE1 TYR A 417 -11.757 0.847 -0.045 1.00 0.00 C ATOM 309 CE2 TYR A 417 -9.810 1.961 0.786 1.00 0.00 C ATOM 310 CZ TYR A 417 -10.409 1.124 -0.133 1.00 0.00 C ATOM 311 OH TYR A 417 -9.658 0.563 -1.140 1.00 0.00 O ATOM 0 H TYR A 417 -10.796 1.462 4.190 1.00 0.00 H new ATOM 0 HA TYR A 417 -13.435 2.522 5.020 1.00 0.00 H new ATOM 0 HB2 TYR A 417 -13.764 3.046 2.649 1.00 0.00 H new ATOM 0 HB3 TYR A 417 -12.333 3.847 3.267 1.00 0.00 H new ATOM 0 HD1 TYR A 417 -13.562 1.193 1.034 1.00 0.00 H new ATOM 0 HD2 TYR A 417 -10.093 3.175 2.513 1.00 0.00 H new ATOM 0 HE1 TYR A 417 -12.224 0.192 -0.765 1.00 0.00 H new ATOM 0 HE2 TYR A 417 -8.754 2.177 0.715 1.00 0.00 H new ATOM 0 HH TYR A 417 -8.920 1.165 -1.372 1.00 0.00 H new ATOM 321 N GLY A 418 -12.629 -0.279 3.518 1.00 0.00 N ATOM 322 CA GLY A 418 -13.128 -1.601 3.185 1.00 0.00 C ATOM 323 C GLY A 418 -12.050 -2.663 3.253 1.00 0.00 C ATOM 324 O GLY A 418 -10.907 -2.375 3.609 1.00 0.00 O ATOM 0 H GLY A 418 -11.626 -0.154 3.385 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -13.936 -1.864 3.868 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -13.553 -1.583 2.181 1.00 0.00 H new ATOM 328 N GLN A 419 -12.412 -3.894 2.909 1.00 0.00 N ATOM 329 CA GLN A 419 -11.467 -5.005 2.932 1.00 0.00 C ATOM 330 C GLN A 419 -11.952 -6.151 2.051 1.00 0.00 C ATOM 331 O GLN A 419 -13.152 -6.404 1.950 1.00 0.00 O ATOM 332 CB GLN A 419 -11.262 -5.498 4.366 1.00 0.00 C ATOM 333 CG GLN A 419 -12.561 -5.791 5.100 1.00 0.00 C ATOM 334 CD GLN A 419 -12.383 -6.795 6.220 1.00 0.00 C ATOM 335 OE1 GLN A 419 -12.392 -6.437 7.398 1.00 0.00 O ATOM 336 NE2 GLN A 419 -12.221 -8.062 5.860 1.00 0.00 N ATOM 0 H GLN A 419 -13.354 -4.148 2.611 1.00 0.00 H new ATOM 0 HA GLN A 419 -10.515 -4.648 2.539 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -10.653 -6.402 4.347 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -10.701 -4.747 4.923 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -12.960 -4.863 5.509 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -13.297 -6.170 4.391 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -12.220 -8.315 4.872 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -12.098 -8.783 6.571 1.00 0.00 H new ATOM 345 N LYS A 420 -11.010 -6.841 1.416 1.00 0.00 N ATOM 346 CA LYS A 420 -11.341 -7.961 0.542 1.00 0.00 C ATOM 347 C LYS A 420 -10.748 -9.262 1.077 1.00 0.00 C ATOM 348 O LYS A 420 -10.126 -9.281 2.139 1.00 0.00 O ATOM 349 CB LYS A 420 -10.832 -7.697 -0.877 1.00 0.00 C ATOM 350 CG LYS A 420 -11.865 -7.978 -1.956 1.00 0.00 C ATOM 351 CD LYS A 420 -11.232 -8.612 -3.183 1.00 0.00 C ATOM 352 CE LYS A 420 -10.411 -7.604 -3.971 1.00 0.00 C ATOM 353 NZ LYS A 420 -11.229 -6.435 -4.400 1.00 0.00 N ATOM 0 H LYS A 420 -10.012 -6.644 1.490 1.00 0.00 H new ATOM 0 HA LYS A 420 -12.426 -8.062 0.516 1.00 0.00 H new ATOM 0 HB2 LYS A 420 -10.514 -6.657 -0.952 1.00 0.00 H new ATOM 0 HB3 LYS A 420 -9.952 -8.314 -1.059 1.00 0.00 H new ATOM 0 HG2 LYS A 420 -12.635 -8.640 -1.560 1.00 0.00 H new ATOM 0 HG3 LYS A 420 -12.358 -7.048 -2.239 1.00 0.00 H new ATOM 0 HD2 LYS A 420 -10.595 -9.442 -2.877 1.00 0.00 H new ATOM 0 HD3 LYS A 420 -12.011 -9.027 -3.822 1.00 0.00 H new ATOM 0 HE2 LYS A 420 -9.577 -7.259 -3.360 1.00 0.00 H new ATOM 0 HE3 LYS A 420 -9.984 -8.090 -4.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 -10.987 -6.183 -5.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 -12.239 -6.678 -4.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 -11.033 -5.626 -3.776 1.00 0.00 H new ATOM 367 N VAL A 421 -10.946 -10.345 0.334 1.00 0.00 N ATOM 368 CA VAL A 421 -10.431 -11.649 0.733 1.00 0.00 C ATOM 369 C VAL A 421 -9.778 -12.366 -0.446 1.00 0.00 C ATOM 370 O VAL A 421 -10.093 -12.088 -1.604 1.00 0.00 O ATOM 371 CB VAL A 421 -11.546 -12.541 1.315 1.00 0.00 C ATOM 372 CG1 VAL A 421 -12.626 -12.797 0.276 1.00 0.00 C ATOM 373 CG2 VAL A 421 -10.971 -13.851 1.833 1.00 0.00 C ATOM 0 H VAL A 421 -11.459 -10.346 -0.547 1.00 0.00 H new ATOM 0 HA VAL A 421 -9.682 -11.472 1.505 1.00 0.00 H new ATOM 0 HB VAL A 421 -12.001 -12.016 2.155 1.00 0.00 H new ATOM 0 HG11 VAL A 421 -13.403 -13.428 0.707 1.00 0.00 H new ATOM 0 HG12 VAL A 421 -13.062 -11.848 -0.037 1.00 0.00 H new ATOM 0 HG13 VAL A 421 -12.189 -13.298 -0.587 1.00 0.00 H new ATOM 0 HG21 VAL A 421 -11.774 -14.466 2.239 1.00 0.00 H new ATOM 0 HG22 VAL A 421 -10.485 -14.383 1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 421 -10.241 -13.644 2.616 1.00 0.00 H new ATOM 383 N VAL A 422 -8.870 -13.288 -0.143 1.00 0.00 N ATOM 384 CA VAL A 422 -8.174 -14.044 -1.178 1.00 0.00 C ATOM 385 C VAL A 422 -7.980 -15.497 -0.761 1.00 0.00 C ATOM 386 O VAL A 422 -7.676 -15.786 0.397 1.00 0.00 O ATOM 387 CB VAL A 422 -6.799 -13.427 -1.497 1.00 0.00 C ATOM 388 CG1 VAL A 422 -6.185 -14.092 -2.719 1.00 0.00 C ATOM 389 CG2 VAL A 422 -6.923 -11.924 -1.703 1.00 0.00 C ATOM 0 H VAL A 422 -8.599 -13.530 0.810 1.00 0.00 H new ATOM 0 HA VAL A 422 -8.798 -14.004 -2.071 1.00 0.00 H new ATOM 0 HB VAL A 422 -6.138 -13.601 -0.648 1.00 0.00 H new ATOM 0 HG11 VAL A 422 -5.214 -13.643 -2.929 1.00 0.00 H new ATOM 0 HG12 VAL A 422 -6.058 -15.158 -2.528 1.00 0.00 H new ATOM 0 HG13 VAL A 422 -6.842 -13.953 -3.578 1.00 0.00 H new ATOM 0 HG21 VAL A 422 -5.942 -11.505 -1.927 1.00 0.00 H new ATOM 0 HG22 VAL A 422 -7.601 -11.725 -2.533 1.00 0.00 H new ATOM 0 HG23 VAL A 422 -7.315 -11.464 -0.796 1.00 0.00 H new ATOM 399 N LYS A 423 -8.158 -16.410 -1.711 1.00 0.00 N ATOM 400 CA LYS A 423 -8.000 -17.834 -1.442 1.00 0.00 C ATOM 401 C LYS A 423 -6.528 -18.199 -1.288 1.00 0.00 C ATOM 402 O LYS A 423 -5.693 -17.802 -2.100 1.00 0.00 O ATOM 403 CB LYS A 423 -8.627 -18.660 -2.567 1.00 0.00 C ATOM 404 CG LYS A 423 -8.091 -18.312 -3.947 1.00 0.00 C ATOM 405 CD LYS A 423 -8.008 -19.542 -4.838 1.00 0.00 C ATOM 406 CE LYS A 423 -9.185 -19.617 -5.797 1.00 0.00 C ATOM 407 NZ LYS A 423 -10.393 -20.201 -5.150 1.00 0.00 N ATOM 0 H LYS A 423 -8.412 -16.188 -2.674 1.00 0.00 H new ATOM 0 HA LYS A 423 -8.511 -18.060 -0.506 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -8.449 -19.718 -2.373 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -9.707 -18.512 -2.557 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -8.737 -17.567 -4.412 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -7.103 -17.863 -3.852 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -7.077 -19.520 -5.404 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -7.984 -20.439 -4.220 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -9.418 -18.618 -6.165 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -8.910 -20.219 -6.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -11.173 -20.235 -5.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -10.179 -21.164 -4.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -10.671 -19.612 -4.339 1.00 0.00 H new ATOM 421 N GLY A 424 -6.217 -18.955 -0.241 1.00 0.00 N ATOM 422 CA GLY A 424 -4.843 -19.359 0.000 1.00 0.00 C ATOM 423 C GLY A 424 -4.130 -18.443 0.977 1.00 0.00 C ATOM 424 O GLY A 424 -3.146 -18.838 1.601 1.00 0.00 O ATOM 0 H GLY A 424 -6.891 -19.295 0.445 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -4.830 -20.378 0.387 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -4.300 -19.370 -0.945 1.00 0.00 H new ATOM 428 N ASN A 425 -4.626 -17.217 1.110 1.00 0.00 N ATOM 429 CA ASN A 425 -4.028 -16.244 2.017 1.00 0.00 C ATOM 430 C ASN A 425 -4.895 -16.060 3.264 1.00 0.00 C ATOM 431 O ASN A 425 -5.904 -15.356 3.227 1.00 0.00 O ATOM 432 CB ASN A 425 -3.847 -14.901 1.308 1.00 0.00 C ATOM 433 CG ASN A 425 -2.583 -14.856 0.471 1.00 0.00 C ATOM 434 OD1 ASN A 425 -1.718 -14.007 0.679 1.00 0.00 O ATOM 435 ND2 ASN A 425 -2.473 -15.773 -0.484 1.00 0.00 N ATOM 0 H ASN A 425 -5.441 -16.874 0.601 1.00 0.00 H new ATOM 0 HA ASN A 425 -3.052 -16.620 2.324 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -4.710 -14.711 0.669 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -3.817 -14.103 2.049 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -1.646 -15.792 -1.080 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -3.216 -16.458 -0.621 1.00 0.00 H new ATOM 442 N PRO A 426 -4.511 -16.691 4.388 1.00 0.00 N ATOM 443 CA PRO A 426 -5.261 -16.588 5.644 1.00 0.00 C ATOM 444 C PRO A 426 -5.572 -15.143 6.022 1.00 0.00 C ATOM 445 O PRO A 426 -6.563 -14.866 6.695 1.00 0.00 O ATOM 446 CB PRO A 426 -4.321 -17.218 6.673 1.00 0.00 C ATOM 447 CG PRO A 426 -3.487 -18.171 5.888 1.00 0.00 C ATOM 448 CD PRO A 426 -3.320 -17.552 4.527 1.00 0.00 C ATOM 0 HA PRO A 426 -6.232 -17.078 5.576 1.00 0.00 H new ATOM 0 HB2 PRO A 426 -3.706 -16.463 7.162 1.00 0.00 H new ATOM 0 HB3 PRO A 426 -4.878 -17.732 7.457 1.00 0.00 H new ATOM 0 HG2 PRO A 426 -2.520 -18.329 6.366 1.00 0.00 H new ATOM 0 HG3 PRO A 426 -3.970 -19.145 5.817 1.00 0.00 H new ATOM 0 HD2 PRO A 426 -2.398 -16.975 4.460 1.00 0.00 H new ATOM 0 HD3 PRO A 426 -3.280 -18.310 3.744 1.00 0.00 H new ATOM 456 N TYR A 427 -4.716 -14.226 5.582 1.00 0.00 N ATOM 457 CA TYR A 427 -4.900 -12.809 5.874 1.00 0.00 C ATOM 458 C TYR A 427 -5.719 -12.130 4.775 1.00 0.00 C ATOM 459 O TYR A 427 -5.437 -12.300 3.588 1.00 0.00 O ATOM 460 CB TYR A 427 -3.543 -12.116 6.016 1.00 0.00 C ATOM 461 CG TYR A 427 -2.734 -12.605 7.195 1.00 0.00 C ATOM 462 CD1 TYR A 427 -2.881 -12.031 8.451 1.00 0.00 C ATOM 463 CD2 TYR A 427 -1.821 -13.643 7.052 1.00 0.00 C ATOM 464 CE1 TYR A 427 -2.143 -12.476 9.531 1.00 0.00 C ATOM 465 CE2 TYR A 427 -1.079 -14.095 8.127 1.00 0.00 C ATOM 466 CZ TYR A 427 -1.244 -13.508 9.365 1.00 0.00 C ATOM 467 OH TYR A 427 -0.506 -13.954 10.436 1.00 0.00 O ATOM 0 H TYR A 427 -3.890 -14.438 5.023 1.00 0.00 H new ATOM 0 HA TYR A 427 -5.444 -12.724 6.815 1.00 0.00 H new ATOM 0 HB2 TYR A 427 -2.968 -12.270 5.103 1.00 0.00 H new ATOM 0 HB3 TYR A 427 -3.701 -11.042 6.115 1.00 0.00 H new ATOM 0 HD1 TYR A 427 -3.584 -11.223 8.586 1.00 0.00 H new ATOM 0 HD2 TYR A 427 -1.689 -14.104 6.084 1.00 0.00 H new ATOM 0 HE1 TYR A 427 -2.270 -12.018 10.501 1.00 0.00 H new ATOM 0 HE2 TYR A 427 -0.374 -14.903 7.999 1.00 0.00 H new ATOM 0 HH TYR A 427 0.078 -14.686 10.148 1.00 0.00 H new ATOM 477 N PRO A 428 -6.746 -11.347 5.154 1.00 0.00 N ATOM 478 CA PRO A 428 -7.598 -10.646 4.191 1.00 0.00 C ATOM 479 C PRO A 428 -6.900 -9.444 3.565 1.00 0.00 C ATOM 480 O PRO A 428 -5.865 -8.991 4.054 1.00 0.00 O ATOM 481 CB PRO A 428 -8.787 -10.194 5.038 1.00 0.00 C ATOM 482 CG PRO A 428 -8.229 -10.037 6.410 1.00 0.00 C ATOM 483 CD PRO A 428 -7.157 -11.084 6.548 1.00 0.00 C ATOM 0 HA PRO A 428 -7.873 -11.282 3.350 1.00 0.00 H new ATOM 0 HB2 PRO A 428 -9.204 -9.257 4.669 1.00 0.00 H new ATOM 0 HB3 PRO A 428 -9.591 -10.930 5.018 1.00 0.00 H new ATOM 0 HG2 PRO A 428 -7.818 -9.037 6.551 1.00 0.00 H new ATOM 0 HG3 PRO A 428 -9.005 -10.172 7.164 1.00 0.00 H new ATOM 0 HD2 PRO A 428 -6.323 -10.726 7.151 1.00 0.00 H new ATOM 0 HD3 PRO A 428 -7.536 -11.985 7.031 1.00 0.00 H new ATOM 491 N ARG A 429 -7.475 -8.929 2.483 1.00 0.00 N ATOM 492 CA ARG A 429 -6.907 -7.778 1.792 1.00 0.00 C ATOM 493 C ARG A 429 -7.423 -6.474 2.394 1.00 0.00 C ATOM 494 O ARG A 429 -8.595 -6.128 2.242 1.00 0.00 O ATOM 495 CB ARG A 429 -7.244 -7.834 0.300 1.00 0.00 C ATOM 496 CG ARG A 429 -6.115 -8.381 -0.559 1.00 0.00 C ATOM 497 CD ARG A 429 -6.517 -8.466 -2.022 1.00 0.00 C ATOM 498 NE ARG A 429 -5.452 -8.008 -2.911 1.00 0.00 N ATOM 499 CZ ARG A 429 -5.392 -8.295 -4.208 1.00 0.00 C ATOM 500 NH1 ARG A 429 -6.334 -9.042 -4.773 1.00 0.00 N ATOM 501 NH2 ARG A 429 -4.390 -7.836 -4.945 1.00 0.00 N ATOM 0 H ARG A 429 -8.333 -9.290 2.066 1.00 0.00 H new ATOM 0 HA ARG A 429 -5.824 -7.810 1.913 1.00 0.00 H new ATOM 0 HB2 ARG A 429 -8.130 -8.454 0.159 1.00 0.00 H new ATOM 0 HB3 ARG A 429 -7.498 -6.832 -0.044 1.00 0.00 H new ATOM 0 HG2 ARG A 429 -5.238 -7.742 -0.459 1.00 0.00 H new ATOM 0 HG3 ARG A 429 -5.831 -9.371 -0.201 1.00 0.00 H new ATOM 0 HD2 ARG A 429 -6.776 -9.496 -2.267 1.00 0.00 H new ATOM 0 HD3 ARG A 429 -7.411 -7.865 -2.188 1.00 0.00 H new ATOM 0 HE ARG A 429 -4.709 -7.433 -2.513 1.00 0.00 H new ATOM 0 HH11 ARG A 429 -7.108 -9.398 -4.212 1.00 0.00 H new ATOM 0 HH12 ARG A 429 -6.284 -9.260 -5.768 1.00 0.00 H new ATOM 0 HH21 ARG A 429 -3.664 -7.262 -4.517 1.00 0.00 H new ATOM 0 HH22 ARG A 429 -4.346 -8.057 -5.940 1.00 0.00 H new ATOM 515 N SER A 430 -6.539 -5.756 3.082 1.00 0.00 N ATOM 516 CA SER A 430 -6.905 -4.491 3.708 1.00 0.00 C ATOM 517 C SER A 430 -6.611 -3.316 2.779 1.00 0.00 C ATOM 518 O SER A 430 -5.675 -3.364 1.981 1.00 0.00 O ATOM 519 CB SER A 430 -6.151 -4.316 5.027 1.00 0.00 C ATOM 520 OG SER A 430 -6.609 -5.234 6.004 1.00 0.00 O ATOM 0 H SER A 430 -5.566 -6.029 3.219 1.00 0.00 H new ATOM 0 HA SER A 430 -7.976 -4.510 3.909 1.00 0.00 H new ATOM 0 HB2 SER A 430 -5.083 -4.460 4.861 1.00 0.00 H new ATOM 0 HB3 SER A 430 -6.282 -3.297 5.392 1.00 0.00 H new ATOM 0 HG SER A 430 -6.109 -5.102 6.837 1.00 0.00 H new ATOM 526 N TYR A 431 -7.417 -2.266 2.888 1.00 0.00 N ATOM 527 CA TYR A 431 -7.244 -1.081 2.057 1.00 0.00 C ATOM 528 C TYR A 431 -7.417 0.193 2.878 1.00 0.00 C ATOM 529 O TYR A 431 -8.440 0.383 3.539 1.00 0.00 O ATOM 530 CB TYR A 431 -8.243 -1.093 0.899 1.00 0.00 C ATOM 531 CG TYR A 431 -8.071 -2.267 -0.038 1.00 0.00 C ATOM 532 CD1 TYR A 431 -6.818 -2.615 -0.524 1.00 0.00 C ATOM 533 CD2 TYR A 431 -9.164 -3.027 -0.437 1.00 0.00 C ATOM 534 CE1 TYR A 431 -6.657 -3.687 -1.381 1.00 0.00 C ATOM 535 CE2 TYR A 431 -9.011 -4.101 -1.293 1.00 0.00 C ATOM 536 CZ TYR A 431 -7.757 -4.426 -1.763 1.00 0.00 C ATOM 537 OH TYR A 431 -7.601 -5.495 -2.616 1.00 0.00 O ATOM 0 H TYR A 431 -8.196 -2.211 3.544 1.00 0.00 H new ATOM 0 HA TYR A 431 -6.231 -1.097 1.655 1.00 0.00 H new ATOM 0 HB2 TYR A 431 -9.255 -1.107 1.304 1.00 0.00 H new ATOM 0 HB3 TYR A 431 -8.140 -0.168 0.332 1.00 0.00 H new ATOM 0 HD1 TYR A 431 -5.955 -2.038 -0.227 1.00 0.00 H new ATOM 0 HD2 TYR A 431 -10.149 -2.774 -0.072 1.00 0.00 H new ATOM 0 HE1 TYR A 431 -5.675 -3.945 -1.750 1.00 0.00 H new ATOM 0 HE2 TYR A 431 -9.870 -4.683 -1.592 1.00 0.00 H new ATOM 0 HH TYR A 431 -6.653 -5.739 -2.664 1.00 0.00 H new ATOM 547 N TYR A 432 -6.414 1.063 2.833 1.00 0.00 N ATOM 548 CA TYR A 432 -6.456 2.320 3.571 1.00 0.00 C ATOM 549 C TYR A 432 -6.375 3.511 2.621 1.00 0.00 C ATOM 550 O TYR A 432 -6.238 3.341 1.411 1.00 0.00 O ATOM 551 CB TYR A 432 -5.311 2.381 4.584 1.00 0.00 C ATOM 552 CG TYR A 432 -5.244 1.175 5.494 1.00 0.00 C ATOM 553 CD1 TYR A 432 -4.606 0.010 5.089 1.00 0.00 C ATOM 554 CD2 TYR A 432 -5.819 1.202 6.759 1.00 0.00 C ATOM 555 CE1 TYR A 432 -4.544 -1.094 5.918 1.00 0.00 C ATOM 556 CE2 TYR A 432 -5.761 0.103 7.593 1.00 0.00 C ATOM 557 CZ TYR A 432 -5.123 -1.042 7.169 1.00 0.00 C ATOM 558 OH TYR A 432 -5.062 -2.140 7.996 1.00 0.00 O ATOM 0 H TYR A 432 -5.561 0.920 2.292 1.00 0.00 H new ATOM 0 HA TYR A 432 -7.405 2.367 4.105 1.00 0.00 H new ATOM 0 HB2 TYR A 432 -4.367 2.474 4.048 1.00 0.00 H new ATOM 0 HB3 TYR A 432 -5.422 3.279 5.192 1.00 0.00 H new ATOM 0 HD1 TYR A 432 -4.151 -0.034 4.111 1.00 0.00 H new ATOM 0 HD2 TYR A 432 -6.320 2.098 7.095 1.00 0.00 H new ATOM 0 HE1 TYR A 432 -4.045 -1.993 5.588 1.00 0.00 H new ATOM 0 HE2 TYR A 432 -6.214 0.141 8.573 1.00 0.00 H new ATOM 0 HH TYR A 432 -5.517 -1.939 8.841 1.00 0.00 H new ATOM 568 N LYS A 433 -6.461 4.715 3.178 1.00 0.00 N ATOM 569 CA LYS A 433 -6.398 5.932 2.375 1.00 0.00 C ATOM 570 C LYS A 433 -6.147 7.153 3.252 1.00 0.00 C ATOM 571 O LYS A 433 -6.765 7.315 4.303 1.00 0.00 O ATOM 572 CB LYS A 433 -7.698 6.114 1.587 1.00 0.00 C ATOM 573 CG LYS A 433 -8.947 6.030 2.450 1.00 0.00 C ATOM 574 CD LYS A 433 -10.093 6.831 1.850 1.00 0.00 C ATOM 575 CE LYS A 433 -10.262 8.170 2.550 1.00 0.00 C ATOM 576 NZ LYS A 433 -9.499 9.253 1.869 1.00 0.00 N ATOM 0 H LYS A 433 -6.574 4.874 4.179 1.00 0.00 H new ATOM 0 HA LYS A 433 -5.567 5.834 1.677 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -7.677 7.081 1.085 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -7.752 5.353 0.809 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -9.247 4.988 2.557 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -8.725 6.403 3.450 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -9.907 6.995 0.788 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -11.018 6.259 1.927 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -11.319 8.434 2.579 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -9.927 8.084 3.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -9.654 10.153 2.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -8.485 9.022 1.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -9.825 9.341 0.885 1.00 0.00 H new ATOM 590 N CYS A 434 -5.235 8.015 2.810 1.00 0.00 N ATOM 591 CA CYS A 434 -4.901 9.226 3.552 1.00 0.00 C ATOM 592 C CYS A 434 -6.045 10.233 3.483 1.00 0.00 C ATOM 593 O CYS A 434 -6.165 10.986 2.513 1.00 0.00 O ATOM 594 CB CYS A 434 -3.617 9.850 3.001 1.00 0.00 C ATOM 595 SG CYS A 434 -2.912 11.142 4.049 1.00 0.00 S ATOM 0 H CYS A 434 -4.714 7.897 1.941 1.00 0.00 H new ATOM 0 HA CYS A 434 -4.741 8.954 4.596 1.00 0.00 H new ATOM 0 HB2 CYS A 434 -2.874 9.064 2.863 1.00 0.00 H new ATOM 0 HB3 CYS A 434 -3.824 10.269 2.016 1.00 0.00 H new ATOM 0 HG CYS A 434 -3.787 12.088 4.220 1.00 0.00 H new ATOM 600 N THR A 435 -6.885 10.238 4.513 1.00 0.00 N ATOM 601 CA THR A 435 -8.024 11.148 4.570 1.00 0.00 C ATOM 602 C THR A 435 -7.658 12.452 5.274 1.00 0.00 C ATOM 603 O THR A 435 -8.135 12.733 6.375 1.00 0.00 O ATOM 604 CB THR A 435 -9.221 10.503 5.296 1.00 0.00 C ATOM 605 OG1 THR A 435 -10.255 11.473 5.498 1.00 0.00 O ATOM 606 CG2 THR A 435 -8.793 9.924 6.637 1.00 0.00 C ATOM 0 H THR A 435 -6.798 9.621 5.321 1.00 0.00 H new ATOM 0 HA THR A 435 -8.305 11.365 3.540 1.00 0.00 H new ATOM 0 HB THR A 435 -9.601 9.694 4.673 1.00 0.00 H new ATOM 0 HG1 THR A 435 -9.936 12.169 6.110 1.00 0.00 H new ATOM 0 HG21 THR A 435 -9.654 9.474 7.131 1.00 0.00 H new ATOM 0 HG22 THR A 435 -8.028 9.164 6.478 1.00 0.00 H new ATOM 0 HG23 THR A 435 -8.389 10.719 7.264 1.00 0.00 H new ATOM 614 N THR A 436 -6.810 13.245 4.631 1.00 0.00 N ATOM 615 CA THR A 436 -6.379 14.521 5.191 1.00 0.00 C ATOM 616 C THR A 436 -7.158 15.678 4.567 1.00 0.00 C ATOM 617 O THR A 436 -7.631 15.575 3.435 1.00 0.00 O ATOM 618 CB THR A 436 -4.868 14.746 4.972 1.00 0.00 C ATOM 619 OG1 THR A 436 -4.322 13.674 4.196 1.00 0.00 O ATOM 620 CG2 THR A 436 -4.127 14.836 6.300 1.00 0.00 C ATOM 0 H THR A 436 -6.406 13.027 3.720 1.00 0.00 H new ATOM 0 HA THR A 436 -6.578 14.489 6.262 1.00 0.00 H new ATOM 0 HB THR A 436 -4.742 15.689 4.440 1.00 0.00 H new ATOM 0 HG1 THR A 436 -3.361 13.818 4.070 1.00 0.00 H new ATOM 0 HG21 THR A 436 -3.065 14.995 6.114 1.00 0.00 H new ATOM 0 HG22 THR A 436 -4.522 15.669 6.881 1.00 0.00 H new ATOM 0 HG23 THR A 436 -4.263 13.909 6.856 1.00 0.00 H new ATOM 628 N PRO A 437 -7.299 16.800 5.294 1.00 0.00 N ATOM 629 CA PRO A 437 -8.022 17.975 4.801 1.00 0.00 C ATOM 630 C PRO A 437 -7.489 18.453 3.454 1.00 0.00 C ATOM 631 O PRO A 437 -6.547 19.243 3.393 1.00 0.00 O ATOM 632 CB PRO A 437 -7.786 19.040 5.883 1.00 0.00 C ATOM 633 CG PRO A 437 -6.673 18.512 6.726 1.00 0.00 C ATOM 634 CD PRO A 437 -6.768 17.017 6.647 1.00 0.00 C ATOM 0 HA PRO A 437 -9.077 17.758 4.634 1.00 0.00 H new ATOM 0 HB2 PRO A 437 -7.521 19.999 5.438 1.00 0.00 H new ATOM 0 HB3 PRO A 437 -8.685 19.202 6.477 1.00 0.00 H new ATOM 0 HG2 PRO A 437 -5.707 18.861 6.361 1.00 0.00 H new ATOM 0 HG3 PRO A 437 -6.767 18.855 7.756 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -5.797 16.541 6.782 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -7.430 16.612 7.412 1.00 0.00 H new ATOM 642 N GLY A 438 -8.095 17.964 2.379 1.00 0.00 N ATOM 643 CA GLY A 438 -7.668 18.346 1.046 1.00 0.00 C ATOM 644 C GLY A 438 -6.904 17.239 0.344 1.00 0.00 C ATOM 645 O GLY A 438 -6.862 17.185 -0.884 1.00 0.00 O ATOM 0 H GLY A 438 -8.876 17.308 2.407 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -8.541 18.615 0.451 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -7.039 19.234 1.109 1.00 0.00 H new ATOM 649 N CYS A 439 -6.298 16.353 1.130 1.00 0.00 N ATOM 650 CA CYS A 439 -5.531 15.241 0.580 1.00 0.00 C ATOM 651 C CYS A 439 -6.355 13.956 0.590 1.00 0.00 C ATOM 652 O CYS A 439 -6.762 13.475 1.648 1.00 0.00 O ATOM 653 CB CYS A 439 -4.241 15.045 1.381 1.00 0.00 C ATOM 654 SG CYS A 439 -3.236 13.638 0.845 1.00 0.00 S ATOM 0 H CYS A 439 -6.324 16.384 2.149 1.00 0.00 H new ATOM 0 HA CYS A 439 -5.277 15.477 -0.453 1.00 0.00 H new ATOM 0 HB2 CYS A 439 -3.642 15.953 1.309 1.00 0.00 H new ATOM 0 HB3 CYS A 439 -4.497 14.914 2.432 1.00 0.00 H new ATOM 0 HG CYS A 439 -3.858 12.530 1.121 1.00 0.00 H new ATOM 659 N GLY A 440 -6.594 13.406 -0.595 1.00 0.00 N ATOM 660 CA GLY A 440 -7.366 12.181 -0.706 1.00 0.00 C ATOM 661 C GLY A 440 -6.579 11.062 -1.360 1.00 0.00 C ATOM 662 O GLY A 440 -6.933 10.600 -2.444 1.00 0.00 O ATOM 0 H GLY A 440 -6.267 13.787 -1.483 1.00 0.00 H new ATOM 0 HA2 GLY A 440 -7.686 11.865 0.287 1.00 0.00 H new ATOM 0 HA3 GLY A 440 -8.269 12.374 -1.286 1.00 0.00 H new ATOM 666 N VAL A 441 -5.508 10.627 -0.702 1.00 0.00 N ATOM 667 CA VAL A 441 -4.670 9.558 -1.230 1.00 0.00 C ATOM 668 C VAL A 441 -5.197 8.189 -0.816 1.00 0.00 C ATOM 669 O VAL A 441 -5.884 8.058 0.198 1.00 0.00 O ATOM 670 CB VAL A 441 -3.210 9.700 -0.755 1.00 0.00 C ATOM 671 CG1 VAL A 441 -2.321 8.673 -1.442 1.00 0.00 C ATOM 672 CG2 VAL A 441 -2.698 11.110 -1.006 1.00 0.00 C ATOM 0 H VAL A 441 -5.201 10.999 0.197 1.00 0.00 H new ATOM 0 HA VAL A 441 -4.700 9.642 -2.316 1.00 0.00 H new ATOM 0 HB VAL A 441 -3.180 9.514 0.319 1.00 0.00 H new ATOM 0 HG11 VAL A 441 -1.295 8.789 -1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 441 -2.674 7.669 -1.204 1.00 0.00 H new ATOM 0 HG13 VAL A 441 -2.357 8.824 -2.521 1.00 0.00 H new ATOM 0 HG21 VAL A 441 -1.666 11.189 -0.664 1.00 0.00 H new ATOM 0 HG22 VAL A 441 -2.744 11.329 -2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 441 -3.316 11.824 -0.462 1.00 0.00 H new ATOM 682 N ARG A 442 -4.874 7.172 -1.607 1.00 0.00 N ATOM 683 CA ARG A 442 -5.314 5.810 -1.325 1.00 0.00 C ATOM 684 C ARG A 442 -4.159 4.825 -1.463 1.00 0.00 C ATOM 685 O ARG A 442 -3.312 4.964 -2.344 1.00 0.00 O ATOM 686 CB ARG A 442 -6.453 5.417 -2.267 1.00 0.00 C ATOM 687 CG ARG A 442 -7.660 6.338 -2.181 1.00 0.00 C ATOM 688 CD ARG A 442 -8.912 5.594 -1.741 1.00 0.00 C ATOM 689 NE ARG A 442 -9.955 5.625 -2.764 1.00 0.00 N ATOM 690 CZ ARG A 442 -9.951 4.856 -3.851 1.00 0.00 C ATOM 691 NH1 ARG A 442 -8.963 3.995 -4.059 1.00 0.00 N ATOM 692 NH2 ARG A 442 -10.940 4.945 -4.730 1.00 0.00 N ATOM 0 H ARG A 442 -4.308 7.265 -2.450 1.00 0.00 H new ATOM 0 HA ARG A 442 -5.674 5.775 -0.297 1.00 0.00 H new ATOM 0 HB2 ARG A 442 -6.081 5.414 -3.292 1.00 0.00 H new ATOM 0 HB3 ARG A 442 -6.767 4.398 -2.039 1.00 0.00 H new ATOM 0 HG2 ARG A 442 -7.452 7.145 -1.478 1.00 0.00 H new ATOM 0 HG3 ARG A 442 -7.835 6.799 -3.153 1.00 0.00 H new ATOM 0 HD2 ARG A 442 -8.658 4.559 -1.514 1.00 0.00 H new ATOM 0 HD3 ARG A 442 -9.293 6.038 -0.821 1.00 0.00 H new ATOM 0 HE ARG A 442 -10.732 6.274 -2.638 1.00 0.00 H new ATOM 0 HH11 ARG A 442 -8.202 3.920 -3.384 1.00 0.00 H new ATOM 0 HH12 ARG A 442 -8.965 3.408 -4.893 1.00 0.00 H new ATOM 0 HH21 ARG A 442 -11.704 5.603 -4.573 1.00 0.00 H new ATOM 0 HH22 ARG A 442 -10.937 4.356 -5.563 1.00 0.00 H new ATOM 706 N LYS A 443 -4.130 3.827 -0.584 1.00 0.00 N ATOM 707 CA LYS A 443 -3.078 2.817 -0.607 1.00 0.00 C ATOM 708 C LYS A 443 -3.639 1.437 -0.279 1.00 0.00 C ATOM 709 O LYS A 443 -4.709 1.317 0.317 1.00 0.00 O ATOM 710 CB LYS A 443 -1.972 3.179 0.385 1.00 0.00 C ATOM 711 CG LYS A 443 -2.424 3.160 1.837 1.00 0.00 C ATOM 712 CD LYS A 443 -1.259 3.390 2.787 1.00 0.00 C ATOM 713 CE LYS A 443 -1.343 2.483 4.004 1.00 0.00 C ATOM 714 NZ LYS A 443 -0.011 1.925 4.373 1.00 0.00 N ATOM 0 H LYS A 443 -4.823 3.697 0.153 1.00 0.00 H new ATOM 0 HA LYS A 443 -2.660 2.789 -1.613 1.00 0.00 H new ATOM 0 HB2 LYS A 443 -1.143 2.482 0.262 1.00 0.00 H new ATOM 0 HB3 LYS A 443 -1.591 4.172 0.145 1.00 0.00 H new ATOM 0 HG2 LYS A 443 -3.180 3.929 1.994 1.00 0.00 H new ATOM 0 HG3 LYS A 443 -2.893 2.202 2.060 1.00 0.00 H new ATOM 0 HD2 LYS A 443 -0.320 3.211 2.263 1.00 0.00 H new ATOM 0 HD3 LYS A 443 -1.251 4.432 3.108 1.00 0.00 H new ATOM 0 HE2 LYS A 443 -1.748 3.043 4.847 1.00 0.00 H new ATOM 0 HE3 LYS A 443 -2.036 1.666 3.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 -0.110 1.312 5.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 0.365 1.370 3.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 0.643 2.703 4.591 1.00 0.00 H new ATOM 728 N HIS A 444 -2.909 0.399 -0.673 1.00 0.00 N ATOM 729 CA HIS A 444 -3.334 -0.974 -0.420 1.00 0.00 C ATOM 730 C HIS A 444 -2.241 -1.756 0.301 1.00 0.00 C ATOM 731 O HIS A 444 -1.054 -1.586 0.022 1.00 0.00 O ATOM 732 CB HIS A 444 -3.692 -1.671 -1.734 1.00 0.00 C ATOM 733 CG HIS A 444 -4.585 -0.857 -2.619 1.00 0.00 C ATOM 734 ND1 HIS A 444 -5.560 0.033 -2.315 1.00 0.00 N flip ATOM 735 CD2 HIS A 444 -4.529 -0.907 -3.995 1.00 0.00 C flip ATOM 736 CE1 HIS A 444 -6.070 0.498 -3.503 1.00 0.00 C flip ATOM 737 NE2 HIS A 444 -5.431 -0.084 -4.501 1.00 0.00 N flip ATOM 0 H HIS A 444 -2.021 0.482 -1.168 1.00 0.00 H new ATOM 0 HA HIS A 444 -4.217 -0.943 0.218 1.00 0.00 H new ATOM 0 HB2 HIS A 444 -2.774 -1.905 -2.274 1.00 0.00 H new ATOM 0 HB3 HIS A 444 -4.181 -2.619 -1.511 1.00 0.00 H new ATOM 0 HD1 HIS A 444 -5.859 0.307 -1.379 1.00 0.00 H new ATOM 0 HD2 HIS A 444 -3.853 -1.523 -4.570 1.00 0.00 H new ATOM 0 HE1 HIS A 444 -6.865 1.222 -3.604 1.00 0.00 H new ATOM 746 N VAL A 445 -2.649 -2.614 1.231 1.00 0.00 N ATOM 747 CA VAL A 445 -1.705 -3.422 1.993 1.00 0.00 C ATOM 748 C VAL A 445 -1.977 -4.910 1.804 1.00 0.00 C ATOM 749 O VAL A 445 -2.881 -5.470 2.424 1.00 0.00 O ATOM 750 CB VAL A 445 -1.763 -3.089 3.495 1.00 0.00 C ATOM 751 CG1 VAL A 445 -0.641 -3.793 4.243 1.00 0.00 C ATOM 752 CG2 VAL A 445 -1.697 -1.585 3.711 1.00 0.00 C ATOM 0 H VAL A 445 -3.628 -2.767 1.475 1.00 0.00 H new ATOM 0 HA VAL A 445 -0.711 -3.185 1.614 1.00 0.00 H new ATOM 0 HB VAL A 445 -2.713 -3.448 3.892 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -0.699 -3.545 5.303 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -0.740 -4.871 4.116 1.00 0.00 H new ATOM 0 HG13 VAL A 445 0.321 -3.468 3.846 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -1.739 -1.369 4.778 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -0.765 -1.199 3.299 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -2.540 -1.108 3.210 1.00 0.00 H new ATOM 762 N GLU A 446 -1.189 -5.545 0.942 1.00 0.00 N ATOM 763 CA GLU A 446 -1.345 -6.969 0.671 1.00 0.00 C ATOM 764 C GLU A 446 -0.384 -7.794 1.522 1.00 0.00 C ATOM 765 O GLU A 446 0.832 -7.637 1.429 1.00 0.00 O ATOM 766 CB GLU A 446 -1.110 -7.255 -0.814 1.00 0.00 C ATOM 767 CG GLU A 446 -2.335 -7.800 -1.530 1.00 0.00 C ATOM 768 CD GLU A 446 -1.978 -8.762 -2.648 1.00 0.00 C ATOM 769 OE1 GLU A 446 -1.385 -8.312 -3.651 1.00 0.00 O ATOM 770 OE2 GLU A 446 -2.290 -9.962 -2.519 1.00 0.00 O ATOM 0 H GLU A 446 -0.437 -5.096 0.420 1.00 0.00 H new ATOM 0 HA GLU A 446 -2.364 -7.254 0.931 1.00 0.00 H new ATOM 0 HB2 GLU A 446 -0.791 -6.336 -1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 446 -0.293 -7.970 -0.913 1.00 0.00 H new ATOM 0 HG2 GLU A 446 -2.976 -8.308 -0.810 1.00 0.00 H new ATOM 0 HG3 GLU A 446 -2.911 -6.970 -1.940 1.00 0.00 H new ATOM 777 N ARG A 447 -0.938 -8.671 2.352 1.00 0.00 N ATOM 778 CA ARG A 447 -0.130 -9.520 3.219 1.00 0.00 C ATOM 779 C ARG A 447 0.145 -10.867 2.561 1.00 0.00 C ATOM 780 O ARG A 447 -0.653 -11.798 2.673 1.00 0.00 O ATOM 781 CB ARG A 447 -0.833 -9.729 4.562 1.00 0.00 C ATOM 782 CG ARG A 447 -0.509 -8.657 5.591 1.00 0.00 C ATOM 783 CD ARG A 447 -1.554 -8.608 6.694 1.00 0.00 C ATOM 784 NE ARG A 447 -1.053 -9.170 7.947 1.00 0.00 N ATOM 785 CZ ARG A 447 -1.605 -8.939 9.136 1.00 0.00 C ATOM 786 NH1 ARG A 447 -2.674 -8.160 9.238 1.00 0.00 N ATOM 787 NH2 ARG A 447 -1.086 -9.487 10.225 1.00 0.00 N ATOM 0 H ARG A 447 -1.944 -8.812 2.443 1.00 0.00 H new ATOM 0 HA ARG A 447 0.823 -9.019 3.389 1.00 0.00 H new ATOM 0 HB2 ARG A 447 -1.911 -9.751 4.399 1.00 0.00 H new ATOM 0 HB3 ARG A 447 -0.551 -10.703 4.963 1.00 0.00 H new ATOM 0 HG2 ARG A 447 0.471 -8.853 6.026 1.00 0.00 H new ATOM 0 HG3 ARG A 447 -0.451 -7.686 5.100 1.00 0.00 H new ATOM 0 HD2 ARG A 447 -1.861 -7.575 6.857 1.00 0.00 H new ATOM 0 HD3 ARG A 447 -2.441 -9.158 6.379 1.00 0.00 H new ATOM 0 HE ARG A 447 -0.232 -9.775 7.908 1.00 0.00 H new ATOM 0 HH11 ARG A 447 -3.077 -7.735 8.403 1.00 0.00 H new ATOM 0 HH12 ARG A 447 -3.093 -7.986 10.152 1.00 0.00 H new ATOM 0 HH21 ARG A 447 -0.263 -10.086 10.152 1.00 0.00 H new ATOM 0 HH22 ARG A 447 -1.509 -9.310 11.136 1.00 0.00 H new ATOM 801 N ALA A 448 1.280 -10.964 1.875 1.00 0.00 N ATOM 802 CA ALA A 448 1.660 -12.198 1.200 1.00 0.00 C ATOM 803 C ALA A 448 1.928 -13.314 2.205 1.00 0.00 C ATOM 804 O ALA A 448 2.899 -13.265 2.959 1.00 0.00 O ATOM 805 CB ALA A 448 2.885 -11.964 0.327 1.00 0.00 C ATOM 0 H ALA A 448 1.951 -10.203 1.773 1.00 0.00 H new ATOM 0 HA ALA A 448 0.829 -12.509 0.567 1.00 0.00 H new ATOM 0 HB1 ALA A 448 3.159 -12.893 -0.172 1.00 0.00 H new ATOM 0 HB2 ALA A 448 2.659 -11.204 -0.421 1.00 0.00 H new ATOM 0 HB3 ALA A 448 3.715 -11.627 0.948 1.00 0.00 H new ATOM 811 N ALA A 449 1.057 -14.318 2.211 1.00 0.00 N ATOM 812 CA ALA A 449 1.197 -15.447 3.122 1.00 0.00 C ATOM 813 C ALA A 449 2.095 -16.531 2.532 1.00 0.00 C ATOM 814 O ALA A 449 2.664 -17.343 3.261 1.00 0.00 O ATOM 815 CB ALA A 449 -0.171 -16.021 3.461 1.00 0.00 C ATOM 0 H ALA A 449 0.246 -14.372 1.594 1.00 0.00 H new ATOM 0 HA ALA A 449 1.668 -15.085 4.036 1.00 0.00 H new ATOM 0 HB1 ALA A 449 -0.053 -16.864 4.142 1.00 0.00 H new ATOM 0 HB2 ALA A 449 -0.780 -15.252 3.936 1.00 0.00 H new ATOM 0 HB3 ALA A 449 -0.661 -16.358 2.547 1.00 0.00 H new ATOM 821 N THR A 450 2.218 -16.539 1.207 1.00 0.00 N ATOM 822 CA THR A 450 3.047 -17.526 0.520 1.00 0.00 C ATOM 823 C THR A 450 4.458 -17.563 1.099 1.00 0.00 C ATOM 824 O THR A 450 5.033 -18.634 1.294 1.00 0.00 O ATOM 825 CB THR A 450 3.134 -17.234 -0.989 1.00 0.00 C ATOM 826 OG1 THR A 450 3.764 -15.965 -1.208 1.00 0.00 O ATOM 827 CG2 THR A 450 1.749 -17.232 -1.618 1.00 0.00 C ATOM 0 H THR A 450 1.755 -15.874 0.588 1.00 0.00 H new ATOM 0 HA THR A 450 2.570 -18.495 0.670 1.00 0.00 H new ATOM 0 HB THR A 450 3.729 -18.019 -1.456 1.00 0.00 H new ATOM 0 HG1 THR A 450 3.817 -15.788 -2.170 1.00 0.00 H new ATOM 0 HG21 THR A 450 1.834 -17.024 -2.685 1.00 0.00 H new ATOM 0 HG22 THR A 450 1.283 -18.207 -1.475 1.00 0.00 H new ATOM 0 HG23 THR A 450 1.136 -16.464 -1.146 1.00 0.00 H new ATOM 835 N ASP A 451 5.012 -16.385 1.371 1.00 0.00 N ATOM 836 CA ASP A 451 6.355 -16.284 1.927 1.00 0.00 C ATOM 837 C ASP A 451 6.306 -16.222 3.454 1.00 0.00 C ATOM 838 O ASP A 451 5.259 -15.947 4.038 1.00 0.00 O ATOM 839 CB ASP A 451 7.068 -15.046 1.375 1.00 0.00 C ATOM 840 CG ASP A 451 8.396 -15.387 0.727 1.00 0.00 C ATOM 841 OD1 ASP A 451 8.445 -16.366 -0.046 1.00 0.00 O ATOM 842 OD2 ASP A 451 9.386 -14.674 0.994 1.00 0.00 O ATOM 0 H ASP A 451 4.551 -15.489 1.215 1.00 0.00 H new ATOM 0 HA ASP A 451 6.912 -17.174 1.634 1.00 0.00 H new ATOM 0 HB2 ASP A 451 6.425 -14.555 0.644 1.00 0.00 H new ATOM 0 HB3 ASP A 451 7.233 -14.334 2.184 1.00 0.00 H new ATOM 847 N PRO A 452 7.446 -16.480 4.120 1.00 0.00 N ATOM 848 CA PRO A 452 7.525 -16.452 5.584 1.00 0.00 C ATOM 849 C PRO A 452 6.968 -15.159 6.170 1.00 0.00 C ATOM 850 O PRO A 452 6.461 -15.140 7.291 1.00 0.00 O ATOM 851 CB PRO A 452 9.026 -16.562 5.861 1.00 0.00 C ATOM 852 CG PRO A 452 9.581 -17.259 4.668 1.00 0.00 C ATOM 853 CD PRO A 452 8.741 -16.817 3.501 1.00 0.00 C ATOM 0 HA PRO A 452 6.935 -17.247 6.039 1.00 0.00 H new ATOM 0 HB2 PRO A 452 9.478 -15.579 5.991 1.00 0.00 H new ATOM 0 HB3 PRO A 452 9.220 -17.125 6.774 1.00 0.00 H new ATOM 0 HG2 PRO A 452 10.628 -16.998 4.516 1.00 0.00 H new ATOM 0 HG3 PRO A 452 9.537 -18.341 4.793 1.00 0.00 H new ATOM 0 HD2 PRO A 452 9.179 -15.958 2.993 1.00 0.00 H new ATOM 0 HD3 PRO A 452 8.638 -17.608 2.758 1.00 0.00 H new ATOM 861 N LYS A 453 7.066 -14.078 5.403 1.00 0.00 N ATOM 862 CA LYS A 453 6.572 -12.779 5.843 1.00 0.00 C ATOM 863 C LYS A 453 6.736 -11.733 4.744 1.00 0.00 C ATOM 864 O LYS A 453 7.694 -10.960 4.745 1.00 0.00 O ATOM 865 CB LYS A 453 7.312 -12.330 7.106 1.00 0.00 C ATOM 866 CG LYS A 453 6.504 -12.512 8.381 1.00 0.00 C ATOM 867 CD LYS A 453 6.858 -11.460 9.421 1.00 0.00 C ATOM 868 CE LYS A 453 7.055 -12.079 10.796 1.00 0.00 C ATOM 869 NZ LYS A 453 8.221 -13.005 10.825 1.00 0.00 N ATOM 0 H LYS A 453 7.484 -14.076 4.472 1.00 0.00 H new ATOM 0 HA LYS A 453 5.510 -12.879 6.068 1.00 0.00 H new ATOM 0 HB2 LYS A 453 8.242 -12.892 7.192 1.00 0.00 H new ATOM 0 HB3 LYS A 453 7.583 -11.279 7.004 1.00 0.00 H new ATOM 0 HG2 LYS A 453 5.440 -12.453 8.150 1.00 0.00 H new ATOM 0 HG3 LYS A 453 6.687 -13.506 8.790 1.00 0.00 H new ATOM 0 HD2 LYS A 453 7.769 -10.942 9.120 1.00 0.00 H new ATOM 0 HD3 LYS A 453 6.066 -10.712 9.468 1.00 0.00 H new ATOM 0 HE2 LYS A 453 7.200 -11.289 11.533 1.00 0.00 H new ATOM 0 HE3 LYS A 453 6.154 -12.621 11.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 8.585 -13.074 11.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 7.925 -13.947 10.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 8.969 -12.642 10.200 1.00 0.00 H new ATOM 883 N ALA A 454 5.795 -11.716 3.804 1.00 0.00 N ATOM 884 CA ALA A 454 5.835 -10.767 2.698 1.00 0.00 C ATOM 885 C ALA A 454 4.680 -9.777 2.783 1.00 0.00 C ATOM 886 O ALA A 454 3.520 -10.171 2.910 1.00 0.00 O ATOM 887 CB ALA A 454 5.806 -11.505 1.369 1.00 0.00 C ATOM 0 H ALA A 454 4.996 -12.349 3.787 1.00 0.00 H new ATOM 0 HA ALA A 454 6.766 -10.204 2.767 1.00 0.00 H new ATOM 0 HB1 ALA A 454 5.836 -10.784 0.552 1.00 0.00 H new ATOM 0 HB2 ALA A 454 6.669 -12.167 1.301 1.00 0.00 H new ATOM 0 HB3 ALA A 454 4.891 -12.094 1.300 1.00 0.00 H new ATOM 893 N VAL A 455 5.003 -8.490 2.709 1.00 0.00 N ATOM 894 CA VAL A 455 3.990 -7.442 2.777 1.00 0.00 C ATOM 895 C VAL A 455 4.194 -6.410 1.674 1.00 0.00 C ATOM 896 O VAL A 455 4.986 -5.478 1.820 1.00 0.00 O ATOM 897 CB VAL A 455 4.008 -6.731 4.142 1.00 0.00 C ATOM 898 CG1 VAL A 455 2.824 -5.785 4.267 1.00 0.00 C ATOM 899 CG2 VAL A 455 4.010 -7.747 5.274 1.00 0.00 C ATOM 0 H VAL A 455 5.958 -8.147 2.602 1.00 0.00 H new ATOM 0 HA VAL A 455 3.023 -7.927 2.643 1.00 0.00 H new ATOM 0 HB VAL A 455 4.923 -6.142 4.212 1.00 0.00 H new ATOM 0 HG11 VAL A 455 2.854 -5.291 5.238 1.00 0.00 H new ATOM 0 HG12 VAL A 455 2.872 -5.035 3.477 1.00 0.00 H new ATOM 0 HG13 VAL A 455 1.896 -6.349 4.175 1.00 0.00 H new ATOM 0 HG21 VAL A 455 4.023 -7.225 6.231 1.00 0.00 H new ATOM 0 HG22 VAL A 455 3.115 -8.365 5.210 1.00 0.00 H new ATOM 0 HG23 VAL A 455 4.894 -8.379 5.194 1.00 0.00 H new ATOM 909 N VAL A 456 3.474 -6.582 0.569 1.00 0.00 N ATOM 910 CA VAL A 456 3.575 -5.664 -0.559 1.00 0.00 C ATOM 911 C VAL A 456 2.582 -4.514 -0.423 1.00 0.00 C ATOM 912 O VAL A 456 1.411 -4.727 -0.105 1.00 0.00 O ATOM 913 CB VAL A 456 3.331 -6.391 -1.896 1.00 0.00 C ATOM 914 CG1 VAL A 456 1.931 -6.985 -1.938 1.00 0.00 C ATOM 915 CG2 VAL A 456 3.556 -5.448 -3.069 1.00 0.00 C ATOM 0 H VAL A 456 2.815 -7.348 0.432 1.00 0.00 H new ATOM 0 HA VAL A 456 4.589 -5.263 -0.554 1.00 0.00 H new ATOM 0 HB VAL A 456 4.047 -7.209 -1.977 1.00 0.00 H new ATOM 0 HG11 VAL A 456 1.780 -7.493 -2.890 1.00 0.00 H new ATOM 0 HG12 VAL A 456 1.814 -7.699 -1.123 1.00 0.00 H new ATOM 0 HG13 VAL A 456 1.195 -6.189 -1.831 1.00 0.00 H new ATOM 0 HG21 VAL A 456 3.379 -5.981 -4.003 1.00 0.00 H new ATOM 0 HG22 VAL A 456 2.868 -4.605 -2.996 1.00 0.00 H new ATOM 0 HG23 VAL A 456 4.582 -5.081 -3.050 1.00 0.00 H new ATOM 925 N THR A 457 3.057 -3.297 -0.666 1.00 0.00 N ATOM 926 CA THR A 457 2.210 -2.114 -0.570 1.00 0.00 C ATOM 927 C THR A 457 2.032 -1.454 -1.933 1.00 0.00 C ATOM 928 O THR A 457 2.855 -1.631 -2.831 1.00 0.00 O ATOM 929 CB THR A 457 2.795 -1.083 0.413 1.00 0.00 C ATOM 930 OG1 THR A 457 3.598 -1.743 1.398 1.00 0.00 O ATOM 931 CG2 THR A 457 1.684 -0.301 1.101 1.00 0.00 C ATOM 0 H THR A 457 4.023 -3.104 -0.931 1.00 0.00 H new ATOM 0 HA THR A 457 1.240 -2.448 -0.201 1.00 0.00 H new ATOM 0 HB THR A 457 3.414 -0.387 -0.153 1.00 0.00 H new ATOM 0 HG1 THR A 457 3.967 -1.079 2.017 1.00 0.00 H new ATOM 0 HG21 THR A 457 2.121 0.421 1.791 1.00 0.00 H new ATOM 0 HG22 THR A 457 1.092 0.225 0.352 1.00 0.00 H new ATOM 0 HG23 THR A 457 1.043 -0.989 1.653 1.00 0.00 H new ATOM 939 N THR A 458 0.953 -0.694 -2.081 1.00 0.00 N ATOM 940 CA THR A 458 0.667 -0.008 -3.336 1.00 0.00 C ATOM 941 C THR A 458 0.111 1.389 -3.084 1.00 0.00 C ATOM 942 O THR A 458 -1.024 1.545 -2.633 1.00 0.00 O ATOM 943 CB THR A 458 -0.337 -0.801 -4.194 1.00 0.00 C ATOM 944 OG1 THR A 458 -0.225 -2.200 -3.911 1.00 0.00 O ATOM 945 CG2 THR A 458 -0.092 -0.556 -5.675 1.00 0.00 C ATOM 0 H THR A 458 0.262 -0.537 -1.348 1.00 0.00 H new ATOM 0 HA THR A 458 1.611 0.071 -3.875 1.00 0.00 H new ATOM 0 HB THR A 458 -1.343 -0.461 -3.947 1.00 0.00 H new ATOM 0 HG1 THR A 458 -0.867 -2.697 -4.459 1.00 0.00 H new ATOM 0 HG21 THR A 458 -0.812 -1.126 -6.262 1.00 0.00 H new ATOM 0 HG22 THR A 458 -0.206 0.506 -5.892 1.00 0.00 H new ATOM 0 HG23 THR A 458 0.918 -0.872 -5.934 1.00 0.00 H new ATOM 953 N TYR A 459 0.918 2.403 -3.378 1.00 0.00 N ATOM 954 CA TYR A 459 0.506 3.788 -3.185 1.00 0.00 C ATOM 955 C TYR A 459 -0.181 4.331 -4.432 1.00 0.00 C ATOM 956 O TYR A 459 0.162 3.960 -5.554 1.00 0.00 O ATOM 957 CB TYR A 459 1.714 4.658 -2.834 1.00 0.00 C ATOM 958 CG TYR A 459 2.084 4.619 -1.368 1.00 0.00 C ATOM 959 CD1 TYR A 459 1.448 5.445 -0.451 1.00 0.00 C ATOM 960 CD2 TYR A 459 3.070 3.757 -0.903 1.00 0.00 C ATOM 961 CE1 TYR A 459 1.783 5.413 0.890 1.00 0.00 C ATOM 962 CE2 TYR A 459 3.411 3.719 0.434 1.00 0.00 C ATOM 963 CZ TYR A 459 2.764 4.548 1.327 1.00 0.00 C ATOM 964 OH TYR A 459 3.101 4.514 2.661 1.00 0.00 O ATOM 0 H TYR A 459 1.861 2.291 -3.751 1.00 0.00 H new ATOM 0 HA TYR A 459 -0.205 3.816 -2.360 1.00 0.00 H new ATOM 0 HB2 TYR A 459 2.570 4.332 -3.425 1.00 0.00 H new ATOM 0 HB3 TYR A 459 1.504 5.689 -3.120 1.00 0.00 H new ATOM 0 HD1 TYR A 459 0.679 6.123 -0.791 1.00 0.00 H new ATOM 0 HD2 TYR A 459 3.578 3.106 -1.599 1.00 0.00 H new ATOM 0 HE1 TYR A 459 1.279 6.062 1.591 1.00 0.00 H new ATOM 0 HE2 TYR A 459 4.180 3.044 0.779 1.00 0.00 H new ATOM 0 HH TYR A 459 3.808 3.850 2.803 1.00 0.00 H new ATOM 974 N GLU A 460 -1.154 5.214 -4.230 1.00 0.00 N ATOM 975 CA GLU A 460 -1.890 5.810 -5.339 1.00 0.00 C ATOM 976 C GLU A 460 -2.140 7.294 -5.093 1.00 0.00 C ATOM 977 O GLU A 460 -3.143 7.673 -4.488 1.00 0.00 O ATOM 978 CB GLU A 460 -3.222 5.084 -5.542 1.00 0.00 C ATOM 979 CG GLU A 460 -3.104 3.818 -6.377 1.00 0.00 C ATOM 980 CD GLU A 460 -4.114 2.761 -5.977 1.00 0.00 C ATOM 981 OE1 GLU A 460 -5.290 3.118 -5.753 1.00 0.00 O ATOM 982 OE2 GLU A 460 -3.730 1.576 -5.890 1.00 0.00 O ATOM 0 H GLU A 460 -1.451 5.533 -3.308 1.00 0.00 H new ATOM 0 HA GLU A 460 -1.285 5.707 -6.240 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -3.640 4.829 -4.568 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -3.926 5.762 -6.023 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -3.241 4.067 -7.429 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -2.098 3.412 -6.274 1.00 0.00 H new ATOM 989 N GLY A 461 -1.219 8.130 -5.565 1.00 0.00 N ATOM 990 CA GLY A 461 -1.358 9.563 -5.385 1.00 0.00 C ATOM 991 C GLY A 461 -0.126 10.193 -4.767 1.00 0.00 C ATOM 992 O GLY A 461 0.876 9.514 -4.534 1.00 0.00 O ATOM 0 H GLY A 461 -0.380 7.840 -6.068 1.00 0.00 H new ATOM 0 HA2 GLY A 461 -1.555 10.030 -6.350 1.00 0.00 H new ATOM 0 HA3 GLY A 461 -2.222 9.764 -4.751 1.00 0.00 H new ATOM 996 N LYS A 462 -0.199 11.492 -4.498 1.00 0.00 N ATOM 997 CA LYS A 462 0.919 12.212 -3.901 1.00 0.00 C ATOM 998 C LYS A 462 0.440 13.124 -2.776 1.00 0.00 C ATOM 999 O LYS A 462 -0.637 13.714 -2.859 1.00 0.00 O ATOM 1000 CB LYS A 462 1.648 13.036 -4.965 1.00 0.00 C ATOM 1001 CG LYS A 462 2.689 12.243 -5.739 1.00 0.00 C ATOM 1002 CD LYS A 462 2.708 12.633 -7.209 1.00 0.00 C ATOM 1003 CE LYS A 462 4.008 12.216 -7.878 1.00 0.00 C ATOM 1004 NZ LYS A 462 5.004 13.322 -7.894 1.00 0.00 N ATOM 0 H LYS A 462 -1.020 12.067 -4.684 1.00 0.00 H new ATOM 0 HA LYS A 462 1.609 11.479 -3.482 1.00 0.00 H new ATOM 0 HB2 LYS A 462 0.916 13.440 -5.665 1.00 0.00 H new ATOM 0 HB3 LYS A 462 2.133 13.886 -4.485 1.00 0.00 H new ATOM 0 HG2 LYS A 462 3.674 12.412 -5.304 1.00 0.00 H new ATOM 0 HG3 LYS A 462 2.479 11.177 -5.647 1.00 0.00 H new ATOM 0 HD2 LYS A 462 1.867 12.166 -7.722 1.00 0.00 H new ATOM 0 HD3 LYS A 462 2.579 13.711 -7.302 1.00 0.00 H new ATOM 0 HE2 LYS A 462 4.427 11.358 -7.353 1.00 0.00 H new ATOM 0 HE3 LYS A 462 3.804 11.896 -8.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 462 5.876 12.997 -8.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 462 4.615 14.132 -8.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 462 5.218 13.610 -6.918 1.00 0.00 H new ATOM 1018 N HIS A 463 1.246 13.233 -1.726 1.00 0.00 N ATOM 1019 CA HIS A 463 0.904 14.073 -0.583 1.00 0.00 C ATOM 1020 C HIS A 463 1.306 15.523 -0.832 1.00 0.00 C ATOM 1021 O HIS A 463 2.373 15.795 -1.383 1.00 0.00 O ATOM 1022 CB HIS A 463 1.588 13.553 0.683 1.00 0.00 C ATOM 1023 CG HIS A 463 1.144 12.180 1.082 1.00 0.00 C ATOM 1024 ND1 HIS A 463 1.720 10.970 0.882 1.00 0.00 N flip ATOM 1025 CD2 HIS A 463 -0.024 11.936 1.772 1.00 0.00 C flip ATOM 1026 CE1 HIS A 463 0.895 10.029 1.451 1.00 0.00 C flip ATOM 1027 NE2 HIS A 463 -0.149 10.638 1.981 1.00 0.00 N flip ATOM 0 H HIS A 463 2.141 12.751 -1.642 1.00 0.00 H new ATOM 0 HA HIS A 463 -0.177 14.033 -0.447 1.00 0.00 H new ATOM 0 HB2 HIS A 463 2.667 13.546 0.527 1.00 0.00 H new ATOM 0 HB3 HIS A 463 1.389 14.243 1.503 1.00 0.00 H new ATOM 0 HD2 HIS A 463 -0.728 12.690 2.092 1.00 0.00 H new ATOM 0 HE1 HIS A 463 1.072 8.964 1.462 1.00 0.00 H new ATOM 0 HE2 HIS A 463 -0.921 10.184 2.469 1.00 0.00 H new ATOM 1035 N ASN A 464 0.446 16.447 -0.422 1.00 0.00 N ATOM 1036 CA ASN A 464 0.711 17.870 -0.599 1.00 0.00 C ATOM 1037 C ASN A 464 0.228 18.666 0.609 1.00 0.00 C ATOM 1038 O ASN A 464 -0.306 19.767 0.468 1.00 0.00 O ATOM 1039 CB ASN A 464 0.028 18.383 -1.869 1.00 0.00 C ATOM 1040 CG ASN A 464 -1.466 18.132 -1.866 1.00 0.00 C ATOM 1041 OD1 ASN A 464 -2.177 18.561 -0.958 1.00 0.00 O ATOM 1042 ND2 ASN A 464 -1.950 17.431 -2.884 1.00 0.00 N ATOM 0 H ASN A 464 -0.441 16.237 0.035 1.00 0.00 H new ATOM 0 HA ASN A 464 1.788 18.005 -0.694 1.00 0.00 H new ATOM 0 HB2 ASN A 464 0.213 19.452 -1.971 1.00 0.00 H new ATOM 0 HB3 ASN A 464 0.473 17.898 -2.738 1.00 0.00 H new ATOM 0 HD21 ASN A 464 -2.948 17.229 -2.935 1.00 0.00 H new ATOM 0 HD22 ASN A 464 -1.323 17.095 -3.615 1.00 0.00 H new ATOM 1049 N HIS A 465 0.417 18.101 1.796 1.00 0.00 N ATOM 1050 CA HIS A 465 0.001 18.756 3.031 1.00 0.00 C ATOM 1051 C HIS A 465 1.094 18.671 4.091 1.00 0.00 C ATOM 1052 O HIS A 465 2.068 17.934 3.934 1.00 0.00 O ATOM 1053 CB HIS A 465 -1.287 18.120 3.559 1.00 0.00 C ATOM 1054 CG HIS A 465 -1.149 16.663 3.876 1.00 0.00 C ATOM 1055 ND1 HIS A 465 -0.612 16.197 5.057 1.00 0.00 N ATOM 1056 CD2 HIS A 465 -1.485 15.565 3.160 1.00 0.00 C ATOM 1057 CE1 HIS A 465 -0.625 14.875 5.054 1.00 0.00 C ATOM 1058 NE2 HIS A 465 -1.150 14.467 3.914 1.00 0.00 N ATOM 0 H HIS A 465 0.856 17.190 1.930 1.00 0.00 H new ATOM 0 HA HIS A 465 -0.182 19.808 2.810 1.00 0.00 H new ATOM 0 HB2 HIS A 465 -1.603 18.651 4.457 1.00 0.00 H new ATOM 0 HB3 HIS A 465 -2.076 18.249 2.819 1.00 0.00 H new ATOM 0 HD1 HIS A 465 -0.259 16.781 5.815 1.00 0.00 H new ATOM 0 HD2 HIS A 465 -1.934 15.554 2.178 1.00 0.00 H new ATOM 0 HE1 HIS A 465 -0.267 14.238 5.849 1.00 0.00 H new