USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=16 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 -69:sc= 0.809 USER MOD Set 1.2: A 436 THR OG1 : rot -170:sc= 0.205 USER MOD Set 1.3: A 439 CYS SG : rot 51:sc= -5.12! USER MOD Set 1.4: A 463 HIS : no HD1:sc= -3.81! C(o=-11!,f=-12!) USER MOD Set 1.5: A 465 HIS : no HD1:sc= -3.18! C(o=-11!,f=-12!) USER MOD Single : A 412 TYR OH : rot 180:sc= 0 USER MOD Single : A 416 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 417 TYR OH : rot 180:sc= 0 USER MOD Single : A 419 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 420 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 425 ASN : amide:sc= -0.336 X(o=-0.34,f=0) 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 0:sc= -1.46 USER MOD Single : A 432 TYR OH : rot 180:sc= 0 USER MOD Single : A 433 LYS NZ :NH3+ 166:sc= -0.284 (180deg=-0.407) USER MOD Single : A 435 THR OG1 : rot -69:sc= 0.309 USER MOD Single : A 443 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 444 HIS :FLIP no HD1:sc= -0.269 F(o=-1.2,f=-0.27) USER MOD Single : A 450 THR OG1 : rot 180:sc= 0.00464 USER MOD Single : A 453 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 457 THR OG1 : rot 180:sc= 0 USER MOD Single : A 458 THR OG1 : rot 180:sc= -0.0195 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= -0.305 X(o=-0.31,f=-0.0023) USER MOD ----------------------------------------------------------------- ATOM 185 N TYR A 412 1.280 10.153 8.768 1.00 0.00 N ATOM 186 CA TYR A 412 0.159 10.738 8.039 1.00 0.00 C ATOM 187 C TYR A 412 -1.171 10.298 8.642 1.00 0.00 C ATOM 188 O TYR A 412 -1.207 9.478 9.559 1.00 0.00 O ATOM 189 CB TYR A 412 0.220 10.339 6.564 1.00 0.00 C ATOM 190 CG TYR A 412 1.178 11.176 5.749 1.00 0.00 C ATOM 191 CD1 TYR A 412 1.196 12.560 5.868 1.00 0.00 C ATOM 192 CD2 TYR A 412 2.067 10.582 4.861 1.00 0.00 C ATOM 193 CE1 TYR A 412 2.071 13.329 5.124 1.00 0.00 C ATOM 194 CE2 TYR A 412 2.946 11.344 4.114 1.00 0.00 C ATOM 195 CZ TYR A 412 2.944 12.716 4.250 1.00 0.00 C ATOM 196 OH TYR A 412 3.818 13.478 3.508 1.00 0.00 O ATOM 0 HA TYR A 412 0.232 11.823 8.119 1.00 0.00 H new ATOM 0 HB2 TYR A 412 0.514 9.292 6.492 1.00 0.00 H new ATOM 0 HB3 TYR A 412 -0.778 10.421 6.133 1.00 0.00 H new ATOM 0 HD1 TYR A 412 0.515 13.043 6.553 1.00 0.00 H new ATOM 0 HD2 TYR A 412 2.071 9.507 4.753 1.00 0.00 H new ATOM 0 HE1 TYR A 412 2.071 14.404 5.227 1.00 0.00 H new ATOM 0 HE2 TYR A 412 3.630 10.867 3.428 1.00 0.00 H new ATOM 0 HH TYR A 412 4.364 12.892 2.943 1.00 0.00 H new ATOM 206 N ARG A 413 -2.262 10.848 8.120 1.00 0.00 N ATOM 207 CA ARG A 413 -3.595 10.511 8.606 1.00 0.00 C ATOM 208 C ARG A 413 -4.298 9.553 7.651 1.00 0.00 C ATOM 209 O ARG A 413 -4.941 9.979 6.690 1.00 0.00 O ATOM 210 CB ARG A 413 -4.432 11.780 8.782 1.00 0.00 C ATOM 211 CG ARG A 413 -3.969 12.659 9.933 1.00 0.00 C ATOM 212 CD ARG A 413 -4.051 11.926 11.262 1.00 0.00 C ATOM 213 NE ARG A 413 -4.495 12.802 12.344 1.00 0.00 N ATOM 214 CZ ARG A 413 -3.753 13.782 12.855 1.00 0.00 C ATOM 215 NH1 ARG A 413 -2.534 14.016 12.386 1.00 0.00 N ATOM 216 NH2 ARG A 413 -4.232 14.532 13.838 1.00 0.00 N ATOM 0 H ARG A 413 -2.249 11.529 7.361 1.00 0.00 H new ATOM 0 HA ARG A 413 -3.488 10.017 9.572 1.00 0.00 H new ATOM 0 HB2 ARG A 413 -4.399 12.358 7.858 1.00 0.00 H new ATOM 0 HB3 ARG A 413 -5.472 11.499 8.946 1.00 0.00 H new ATOM 0 HG2 ARG A 413 -2.943 12.981 9.756 1.00 0.00 H new ATOM 0 HG3 ARG A 413 -4.582 13.559 9.974 1.00 0.00 H new ATOM 0 HD2 ARG A 413 -4.739 11.086 11.171 1.00 0.00 H new ATOM 0 HD3 ARG A 413 -3.073 11.512 11.509 1.00 0.00 H new ATOM 0 HE ARG A 413 -5.427 12.654 12.730 1.00 0.00 H new ATOM 0 HH11 ARG A 413 -2.160 13.443 11.629 1.00 0.00 H new ATOM 0 HH12 ARG A 413 -1.971 14.769 12.782 1.00 0.00 H new ATOM 0 HH21 ARG A 413 -5.169 14.358 14.202 1.00 0.00 H new ATOM 0 HH22 ARG A 413 -3.664 15.283 14.230 1.00 0.00 H new ATOM 230 N TRP A 414 -4.171 8.258 7.918 1.00 0.00 N ATOM 231 CA TRP A 414 -4.794 7.239 7.080 1.00 0.00 C ATOM 232 C TRP A 414 -6.130 6.794 7.669 1.00 0.00 C ATOM 233 O TRP A 414 -6.385 6.970 8.859 1.00 0.00 O ATOM 234 CB TRP A 414 -3.864 6.034 6.929 1.00 0.00 C ATOM 235 CG TRP A 414 -2.529 6.383 6.346 1.00 0.00 C ATOM 236 CD1 TRP A 414 -1.377 6.639 7.032 1.00 0.00 C ATOM 237 CD2 TRP A 414 -2.209 6.519 4.956 1.00 0.00 C ATOM 238 NE1 TRP A 414 -0.358 6.924 6.154 1.00 0.00 N ATOM 239 CE2 TRP A 414 -0.844 6.858 4.874 1.00 0.00 C ATOM 240 CE3 TRP A 414 -2.942 6.387 3.775 1.00 0.00 C ATOM 241 CZ2 TRP A 414 -0.199 7.064 3.657 1.00 0.00 C ATOM 242 CZ3 TRP A 414 -2.301 6.592 2.567 1.00 0.00 C ATOM 243 CH2 TRP A 414 -0.943 6.928 2.516 1.00 0.00 C ATOM 0 H TRP A 414 -3.642 7.888 8.708 1.00 0.00 H new ATOM 0 HA TRP A 414 -4.976 7.674 6.097 1.00 0.00 H new ATOM 0 HB2 TRP A 414 -3.717 5.573 7.906 1.00 0.00 H new ATOM 0 HB3 TRP A 414 -4.346 5.290 6.295 1.00 0.00 H new ATOM 0 HD1 TRP A 414 -1.280 6.620 8.107 1.00 0.00 H new ATOM 0 HE1 TRP A 414 0.603 7.148 6.413 1.00 0.00 H new ATOM 0 HE3 TRP A 414 -3.990 6.129 3.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 414 0.849 7.321 3.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 414 -2.858 6.491 1.647 1.00 0.00 H new ATOM 0 HH2 TRP A 414 -0.472 7.083 1.556 1.00 0.00 H new ATOM 254 N ARG A 415 -6.976 6.214 6.825 1.00 0.00 N ATOM 255 CA ARG A 415 -8.286 5.742 7.261 1.00 0.00 C ATOM 256 C ARG A 415 -8.783 4.614 6.363 1.00 0.00 C ATOM 257 O ARG A 415 -8.778 4.734 5.137 1.00 0.00 O ATOM 258 CB ARG A 415 -9.294 6.892 7.260 1.00 0.00 C ATOM 259 CG ARG A 415 -10.504 6.642 8.144 1.00 0.00 C ATOM 260 CD ARG A 415 -10.112 6.533 9.608 1.00 0.00 C ATOM 261 NE ARG A 415 -11.044 7.243 10.479 1.00 0.00 N ATOM 262 CZ ARG A 415 -12.287 6.833 10.728 1.00 0.00 C ATOM 263 NH1 ARG A 415 -12.748 5.719 10.174 1.00 0.00 N ATOM 264 NH2 ARG A 415 -13.069 7.539 11.533 1.00 0.00 N ATOM 0 H ARG A 415 -6.779 6.059 5.836 1.00 0.00 H new ATOM 0 HA ARG A 415 -8.186 5.358 8.276 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -8.794 7.802 7.592 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -9.631 7.068 6.238 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -11.222 7.453 8.018 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -11.002 5.724 7.830 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -10.076 5.482 9.896 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -9.109 6.936 9.745 1.00 0.00 H new ATOM 0 HE ARG A 415 -10.725 8.104 10.923 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -12.150 5.172 9.554 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -13.700 5.409 10.368 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -12.719 8.396 11.962 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -14.021 7.225 11.724 1.00 0.00 H new ATOM 278 N LYS A 416 -9.212 3.517 6.980 1.00 0.00 N ATOM 279 CA LYS A 416 -9.712 2.368 6.236 1.00 0.00 C ATOM 280 C LYS A 416 -11.167 2.572 5.827 1.00 0.00 C ATOM 281 O LYS A 416 -11.917 3.279 6.502 1.00 0.00 O ATOM 282 CB LYS A 416 -9.581 1.095 7.074 1.00 0.00 C ATOM 283 CG LYS A 416 -9.961 -0.170 6.321 1.00 0.00 C ATOM 284 CD LYS A 416 -9.395 -1.411 6.997 1.00 0.00 C ATOM 285 CE LYS A 416 -10.005 -1.626 8.373 1.00 0.00 C ATOM 286 NZ LYS A 416 -10.440 -3.036 8.572 1.00 0.00 N ATOM 0 H LYS A 416 -9.223 3.401 7.993 1.00 0.00 H new ATOM 0 HA LYS A 416 -9.111 2.265 5.332 1.00 0.00 H new ATOM 0 HB2 LYS A 416 -8.553 1.005 7.424 1.00 0.00 H new ATOM 0 HB3 LYS A 416 -10.212 1.185 7.958 1.00 0.00 H new ATOM 0 HG2 LYS A 416 -11.047 -0.249 6.263 1.00 0.00 H new ATOM 0 HG3 LYS A 416 -9.591 -0.111 5.297 1.00 0.00 H new ATOM 0 HD2 LYS A 416 -9.585 -2.285 6.373 1.00 0.00 H new ATOM 0 HD3 LYS A 416 -8.313 -1.315 7.089 1.00 0.00 H new ATOM 0 HE2 LYS A 416 -9.277 -1.359 9.139 1.00 0.00 H new ATOM 0 HE3 LYS A 416 -10.859 -0.961 8.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 416 -10.850 -3.142 9.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 416 -11.154 -3.283 7.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 416 -9.620 -3.669 8.476 1.00 0.00 H new ATOM 300 N TYR A 417 -11.557 1.952 4.720 1.00 0.00 N ATOM 301 CA TYR A 417 -12.923 2.067 4.220 1.00 0.00 C ATOM 302 C TYR A 417 -13.480 0.698 3.844 1.00 0.00 C ATOM 303 O TYR A 417 -14.604 0.353 4.207 1.00 0.00 O ATOM 304 CB TYR A 417 -12.968 3.000 3.009 1.00 0.00 C ATOM 305 CG TYR A 417 -12.102 2.540 1.857 1.00 0.00 C ATOM 306 CD1 TYR A 417 -12.611 1.703 0.872 1.00 0.00 C ATOM 307 CD2 TYR A 417 -10.777 2.944 1.755 1.00 0.00 C ATOM 308 CE1 TYR A 417 -11.823 1.282 -0.183 1.00 0.00 C ATOM 309 CE2 TYR A 417 -9.983 2.528 0.703 1.00 0.00 C ATOM 310 CZ TYR A 417 -10.511 1.697 -0.262 1.00 0.00 C ATOM 311 OH TYR A 417 -9.723 1.279 -1.311 1.00 0.00 O ATOM 0 H TYR A 417 -10.948 1.364 4.151 1.00 0.00 H new ATOM 0 HA TYR A 417 -13.541 2.485 5.014 1.00 0.00 H new ATOM 0 HB2 TYR A 417 -13.999 3.086 2.666 1.00 0.00 H new ATOM 0 HB3 TYR A 417 -12.650 3.996 3.316 1.00 0.00 H new ATOM 0 HD1 TYR A 417 -13.639 1.376 0.931 1.00 0.00 H new ATOM 0 HD2 TYR A 417 -10.360 3.594 2.510 1.00 0.00 H new ATOM 0 HE1 TYR A 417 -12.233 0.631 -0.941 1.00 0.00 H new ATOM 0 HE2 TYR A 417 -8.955 2.852 0.637 1.00 0.00 H new ATOM 0 HH TYR A 417 -8.826 1.662 -1.219 1.00 0.00 H new ATOM 321 N GLY A 418 -12.686 -0.079 3.114 1.00 0.00 N ATOM 322 CA GLY A 418 -13.115 -1.401 2.703 1.00 0.00 C ATOM 323 C GLY A 418 -11.996 -2.422 2.765 1.00 0.00 C ATOM 324 O GLY A 418 -10.908 -2.128 3.260 1.00 0.00 O ATOM 0 H GLY A 418 -11.752 0.185 2.800 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -13.936 -1.728 3.342 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -13.502 -1.353 1.685 1.00 0.00 H new ATOM 328 N GLN A 419 -12.263 -3.623 2.262 1.00 0.00 N ATOM 329 CA GLN A 419 -11.268 -4.689 2.262 1.00 0.00 C ATOM 330 C GLN A 419 -11.711 -5.847 1.374 1.00 0.00 C ATOM 331 O GLN A 419 -12.875 -5.934 0.984 1.00 0.00 O ATOM 332 CB GLN A 419 -11.028 -5.189 3.689 1.00 0.00 C ATOM 333 CG GLN A 419 -12.303 -5.577 4.420 1.00 0.00 C ATOM 334 CD GLN A 419 -12.036 -6.452 5.629 1.00 0.00 C ATOM 335 OE1 GLN A 419 -11.033 -6.285 6.322 1.00 0.00 O ATOM 336 NE2 GLN A 419 -12.938 -7.393 5.889 1.00 0.00 N ATOM 0 H GLN A 419 -13.159 -3.882 1.850 1.00 0.00 H new ATOM 0 HA GLN A 419 -10.338 -4.284 1.863 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -10.361 -6.051 3.656 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -10.516 -4.412 4.256 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -12.825 -4.674 4.737 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -12.966 -6.104 3.733 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -13.755 -7.496 5.288 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -12.813 -8.012 6.690 1.00 0.00 H new ATOM 345 N LYS A 420 -10.774 -6.735 1.058 1.00 0.00 N ATOM 346 CA LYS A 420 -11.067 -7.889 0.215 1.00 0.00 C ATOM 347 C LYS A 420 -10.670 -9.187 0.912 1.00 0.00 C ATOM 348 O LYS A 420 -9.819 -9.191 1.800 1.00 0.00 O ATOM 349 CB LYS A 420 -10.332 -7.770 -1.122 1.00 0.00 C ATOM 350 CG LYS A 420 -10.947 -6.749 -2.066 1.00 0.00 C ATOM 351 CD LYS A 420 -11.577 -7.417 -3.278 1.00 0.00 C ATOM 352 CE LYS A 420 -10.538 -7.728 -4.345 1.00 0.00 C ATOM 353 NZ LYS A 420 -11.157 -7.908 -5.687 1.00 0.00 N ATOM 0 H LYS A 420 -9.805 -6.678 1.373 1.00 0.00 H new ATOM 0 HA LYS A 420 -12.141 -7.910 0.031 1.00 0.00 H new ATOM 0 HB2 LYS A 420 -9.293 -7.498 -0.933 1.00 0.00 H new ATOM 0 HB3 LYS A 420 -10.323 -8.745 -1.610 1.00 0.00 H new ATOM 0 HG2 LYS A 420 -11.703 -6.170 -1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 420 -10.180 -6.047 -2.394 1.00 0.00 H new ATOM 0 HD2 LYS A 420 -12.072 -8.338 -2.971 1.00 0.00 H new ATOM 0 HD3 LYS A 420 -12.345 -6.766 -3.695 1.00 0.00 H new ATOM 0 HE2 LYS A 420 -9.808 -6.920 -4.387 1.00 0.00 H new ATOM 0 HE3 LYS A 420 -9.996 -8.633 -4.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 -10.416 -8.118 -6.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 -11.835 -8.696 -5.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 -11.653 -7.036 -5.960 1.00 0.00 H new ATOM 367 N VAL A 421 -11.294 -10.287 0.503 1.00 0.00 N ATOM 368 CA VAL A 421 -11.007 -11.591 1.088 1.00 0.00 C ATOM 369 C VAL A 421 -10.541 -12.580 0.025 1.00 0.00 C ATOM 370 O VAL A 421 -11.092 -12.630 -1.075 1.00 0.00 O ATOM 371 CB VAL A 421 -12.243 -12.167 1.811 1.00 0.00 C ATOM 372 CG1 VAL A 421 -13.392 -12.373 0.832 1.00 0.00 C ATOM 373 CG2 VAL A 421 -11.891 -13.466 2.523 1.00 0.00 C ATOM 0 H VAL A 421 -12.002 -10.301 -0.231 1.00 0.00 H new ATOM 0 HA VAL A 421 -10.208 -11.444 1.815 1.00 0.00 H new ATOM 0 HB VAL A 421 -12.568 -11.448 2.563 1.00 0.00 H new ATOM 0 HG11 VAL A 421 -14.253 -12.780 1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 421 -13.661 -11.418 0.381 1.00 0.00 H new ATOM 0 HG13 VAL A 421 -13.085 -13.069 0.052 1.00 0.00 H new ATOM 0 HG21 VAL A 421 -12.775 -13.856 3.027 1.00 0.00 H new ATOM 0 HG22 VAL A 421 -11.537 -14.196 1.795 1.00 0.00 H new ATOM 0 HG23 VAL A 421 -11.109 -13.278 3.258 1.00 0.00 H new ATOM 383 N VAL A 422 -9.521 -13.366 0.359 1.00 0.00 N ATOM 384 CA VAL A 422 -8.981 -14.353 -0.567 1.00 0.00 C ATOM 385 C VAL A 422 -9.050 -15.757 0.025 1.00 0.00 C ATOM 386 O VAL A 422 -8.574 -15.998 1.134 1.00 0.00 O ATOM 387 CB VAL A 422 -7.520 -14.037 -0.937 1.00 0.00 C ATOM 388 CG1 VAL A 422 -7.044 -14.948 -2.059 1.00 0.00 C ATOM 389 CG2 VAL A 422 -7.372 -12.574 -1.329 1.00 0.00 C ATOM 0 H VAL A 422 -9.053 -13.337 1.265 1.00 0.00 H new ATOM 0 HA VAL A 422 -9.594 -14.309 -1.467 1.00 0.00 H new ATOM 0 HB VAL A 422 -6.896 -14.219 -0.062 1.00 0.00 H new ATOM 0 HG11 VAL A 422 -6.010 -14.710 -2.307 1.00 0.00 H new ATOM 0 HG12 VAL A 422 -7.110 -15.987 -1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 422 -7.671 -14.800 -2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 422 -6.333 -12.370 -1.587 1.00 0.00 H new ATOM 0 HG22 VAL A 422 -8.008 -12.361 -2.188 1.00 0.00 H new ATOM 0 HG23 VAL A 422 -7.669 -11.941 -0.493 1.00 0.00 H new ATOM 399 N LYS A 423 -9.645 -16.680 -0.723 1.00 0.00 N ATOM 400 CA LYS A 423 -9.776 -18.061 -0.272 1.00 0.00 C ATOM 401 C LYS A 423 -8.424 -18.767 -0.287 1.00 0.00 C ATOM 402 O LYS A 423 -7.767 -18.853 -1.324 1.00 0.00 O ATOM 403 CB LYS A 423 -10.768 -18.817 -1.157 1.00 0.00 C ATOM 404 CG LYS A 423 -12.207 -18.718 -0.676 1.00 0.00 C ATOM 405 CD LYS A 423 -12.870 -17.439 -1.163 1.00 0.00 C ATOM 406 CE LYS A 423 -13.383 -17.585 -2.588 1.00 0.00 C ATOM 407 NZ LYS A 423 -13.078 -16.383 -3.412 1.00 0.00 N ATOM 0 H LYS A 423 -10.044 -16.497 -1.644 1.00 0.00 H new ATOM 0 HA LYS A 423 -10.150 -18.049 0.752 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -10.705 -18.428 -2.173 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -10.479 -19.867 -1.199 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -12.771 -19.580 -1.032 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -12.231 -18.750 0.413 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -13.698 -17.182 -0.502 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -12.156 -16.617 -1.114 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -12.933 -18.465 -3.048 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -14.460 -17.750 -2.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -13.443 -16.521 -4.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -13.529 -15.547 -2.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -12.049 -16.240 -3.449 1.00 0.00 H new ATOM 421 N GLY A 424 -8.015 -19.274 0.872 1.00 0.00 N ATOM 422 CA GLY A 424 -6.744 -19.968 0.971 1.00 0.00 C ATOM 423 C GLY A 424 -5.725 -19.198 1.787 1.00 0.00 C ATOM 424 O GLY A 424 -4.988 -19.782 2.582 1.00 0.00 O ATOM 0 H GLY A 424 -8.541 -19.217 1.744 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -6.902 -20.947 1.423 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -6.348 -20.140 -0.030 1.00 0.00 H new ATOM 428 N ASN A 425 -5.681 -17.884 1.592 1.00 0.00 N ATOM 429 CA ASN A 425 -4.743 -17.034 2.316 1.00 0.00 C ATOM 430 C ASN A 425 -5.299 -16.661 3.692 1.00 0.00 C ATOM 431 O ASN A 425 -6.456 -16.258 3.811 1.00 0.00 O ATOM 432 CB ASN A 425 -4.446 -15.767 1.514 1.00 0.00 C ATOM 433 CG ASN A 425 -3.316 -15.962 0.523 1.00 0.00 C ATOM 434 OD1 ASN A 425 -2.356 -15.190 0.499 1.00 0.00 O ATOM 435 ND2 ASN A 425 -3.422 -16.998 -0.300 1.00 0.00 N ATOM 0 H ASN A 425 -6.284 -17.385 0.938 1.00 0.00 H new ATOM 0 HA ASN A 425 -3.817 -17.592 2.455 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -5.345 -15.459 0.980 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -4.190 -14.959 2.199 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -2.691 -17.180 -0.987 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -4.235 -17.612 -0.245 1.00 0.00 H new ATOM 442 N PRO A 426 -4.480 -16.792 4.752 1.00 0.00 N ATOM 443 CA PRO A 426 -4.903 -16.465 6.117 1.00 0.00 C ATOM 444 C PRO A 426 -4.957 -14.961 6.364 1.00 0.00 C ATOM 445 O PRO A 426 -5.687 -14.492 7.237 1.00 0.00 O ATOM 446 CB PRO A 426 -3.819 -17.110 6.978 1.00 0.00 C ATOM 447 CG PRO A 426 -2.601 -17.092 6.121 1.00 0.00 C ATOM 448 CD PRO A 426 -3.083 -17.267 4.705 1.00 0.00 C ATOM 0 HA PRO A 426 -5.910 -16.822 6.332 1.00 0.00 H new ATOM 0 HB2 PRO A 426 -3.662 -16.553 7.902 1.00 0.00 H new ATOM 0 HB3 PRO A 426 -4.090 -18.127 7.261 1.00 0.00 H new ATOM 0 HG2 PRO A 426 -2.059 -16.153 6.235 1.00 0.00 H new ATOM 0 HG3 PRO A 426 -1.916 -17.892 6.401 1.00 0.00 H new ATOM 0 HD2 PRO A 426 -2.485 -16.685 4.003 1.00 0.00 H new ATOM 0 HD3 PRO A 426 -3.024 -18.308 4.387 1.00 0.00 H new ATOM 456 N TYR A 427 -4.178 -14.209 5.593 1.00 0.00 N ATOM 457 CA TYR A 427 -4.136 -12.758 5.730 1.00 0.00 C ATOM 458 C TYR A 427 -4.987 -12.081 4.655 1.00 0.00 C ATOM 459 O TYR A 427 -4.607 -12.048 3.484 1.00 0.00 O ATOM 460 CB TYR A 427 -2.692 -12.261 5.637 1.00 0.00 C ATOM 461 CG TYR A 427 -1.731 -13.029 6.517 1.00 0.00 C ATOM 462 CD1 TYR A 427 -1.924 -13.100 7.891 1.00 0.00 C ATOM 463 CD2 TYR A 427 -0.631 -13.683 5.974 1.00 0.00 C ATOM 464 CE1 TYR A 427 -1.047 -13.801 8.699 1.00 0.00 C ATOM 465 CE2 TYR A 427 0.248 -14.385 6.775 1.00 0.00 C ATOM 466 CZ TYR A 427 0.036 -14.441 8.137 1.00 0.00 C ATOM 467 OH TYR A 427 0.909 -15.141 8.937 1.00 0.00 O ATOM 0 H TYR A 427 -3.567 -14.581 4.866 1.00 0.00 H new ATOM 0 HA TYR A 427 -4.544 -12.499 6.707 1.00 0.00 H new ATOM 0 HB2 TYR A 427 -2.358 -12.330 4.602 1.00 0.00 H new ATOM 0 HB3 TYR A 427 -2.661 -11.207 5.912 1.00 0.00 H new ATOM 0 HD1 TYR A 427 -2.772 -12.600 8.335 1.00 0.00 H new ATOM 0 HD2 TYR A 427 -0.461 -13.641 4.908 1.00 0.00 H new ATOM 0 HE1 TYR A 427 -1.210 -13.846 9.766 1.00 0.00 H new ATOM 0 HE2 TYR A 427 1.098 -14.888 6.337 1.00 0.00 H new ATOM 0 HH TYR A 427 1.617 -15.533 8.384 1.00 0.00 H new ATOM 477 N PRO A 428 -6.153 -11.529 5.037 1.00 0.00 N ATOM 478 CA PRO A 428 -7.052 -10.854 4.092 1.00 0.00 C ATOM 479 C PRO A 428 -6.363 -9.708 3.361 1.00 0.00 C ATOM 480 O PRO A 428 -5.134 -9.624 3.334 1.00 0.00 O ATOM 481 CB PRO A 428 -8.179 -10.318 4.982 1.00 0.00 C ATOM 482 CG PRO A 428 -8.134 -11.160 6.209 1.00 0.00 C ATOM 483 CD PRO A 428 -6.691 -11.519 6.410 1.00 0.00 C ATOM 0 HA PRO A 428 -7.398 -11.529 3.309 1.00 0.00 H new ATOM 0 HB2 PRO A 428 -8.027 -9.265 5.220 1.00 0.00 H new ATOM 0 HB3 PRO A 428 -9.146 -10.396 4.485 1.00 0.00 H new ATOM 0 HG2 PRO A 428 -8.525 -10.617 7.070 1.00 0.00 H new ATOM 0 HG3 PRO A 428 -8.746 -12.054 6.092 1.00 0.00 H new ATOM 0 HD2 PRO A 428 -6.178 -10.791 7.038 1.00 0.00 H new ATOM 0 HD3 PRO A 428 -6.581 -12.490 6.893 1.00 0.00 H new ATOM 491 N ARG A 429 -7.160 -8.827 2.766 1.00 0.00 N ATOM 492 CA ARG A 429 -6.627 -7.685 2.034 1.00 0.00 C ATOM 493 C ARG A 429 -7.246 -6.382 2.529 1.00 0.00 C ATOM 494 O ARG A 429 -8.464 -6.209 2.496 1.00 0.00 O ATOM 495 CB ARG A 429 -6.886 -7.847 0.535 1.00 0.00 C ATOM 496 CG ARG A 429 -5.925 -8.806 -0.147 1.00 0.00 C ATOM 497 CD ARG A 429 -6.296 -9.024 -1.606 1.00 0.00 C ATOM 498 NE ARG A 429 -5.117 -9.089 -2.466 1.00 0.00 N ATOM 499 CZ ARG A 429 -4.246 -10.096 -2.457 1.00 0.00 C ATOM 500 NH1 ARG A 429 -4.416 -11.121 -1.631 1.00 0.00 N ATOM 501 NH2 ARG A 429 -3.201 -10.076 -3.272 1.00 0.00 N ATOM 0 H ARG A 429 -8.178 -8.882 2.777 1.00 0.00 H new ATOM 0 HA ARG A 429 -5.552 -7.645 2.209 1.00 0.00 H new ATOM 0 HB2 ARG A 429 -7.906 -8.201 0.387 1.00 0.00 H new ATOM 0 HB3 ARG A 429 -6.815 -6.871 0.055 1.00 0.00 H new ATOM 0 HG2 ARG A 429 -4.910 -8.413 -0.083 1.00 0.00 H new ATOM 0 HG3 ARG A 429 -5.930 -9.762 0.377 1.00 0.00 H new ATOM 0 HD2 ARG A 429 -6.866 -9.948 -1.701 1.00 0.00 H new ATOM 0 HD3 ARG A 429 -6.944 -8.214 -1.940 1.00 0.00 H new ATOM 0 HE ARG A 429 -4.951 -8.317 -3.112 1.00 0.00 H new ATOM 0 HH11 ARG A 429 -5.217 -11.140 -0.999 1.00 0.00 H new ATOM 0 HH12 ARG A 429 -3.746 -11.890 -1.628 1.00 0.00 H new ATOM 0 HH21 ARG A 429 -3.064 -9.289 -3.906 1.00 0.00 H new ATOM 0 HH22 ARG A 429 -2.534 -10.848 -3.265 1.00 0.00 H new ATOM 515 N SER A 430 -6.397 -5.468 2.990 1.00 0.00 N ATOM 516 CA SER A 430 -6.861 -4.179 3.493 1.00 0.00 C ATOM 517 C SER A 430 -6.539 -3.063 2.505 1.00 0.00 C ATOM 518 O SER A 430 -5.688 -3.221 1.631 1.00 0.00 O ATOM 519 CB SER A 430 -6.219 -3.877 4.848 1.00 0.00 C ATOM 520 OG SER A 430 -5.926 -5.072 5.552 1.00 0.00 O ATOM 0 H SER A 430 -5.386 -5.596 3.026 1.00 0.00 H new ATOM 0 HA SER A 430 -7.943 -4.232 3.615 1.00 0.00 H new ATOM 0 HB2 SER A 430 -5.303 -3.304 4.700 1.00 0.00 H new ATOM 0 HB3 SER A 430 -6.890 -3.257 5.442 1.00 0.00 H new ATOM 0 HG SER A 430 -5.515 -4.852 6.414 1.00 0.00 H new ATOM 526 N TYR A 431 -7.226 -1.934 2.650 1.00 0.00 N ATOM 527 CA TYR A 431 -7.011 -0.792 1.769 1.00 0.00 C ATOM 528 C TYR A 431 -7.348 0.516 2.479 1.00 0.00 C ATOM 529 O TYR A 431 -8.514 0.898 2.577 1.00 0.00 O ATOM 530 CB TYR A 431 -7.859 -0.931 0.505 1.00 0.00 C ATOM 531 CG TYR A 431 -7.744 -2.286 -0.158 1.00 0.00 C ATOM 532 CD1 TYR A 431 -6.613 -2.631 -0.886 1.00 0.00 C ATOM 533 CD2 TYR A 431 -8.767 -3.220 -0.052 1.00 0.00 C ATOM 534 CE1 TYR A 431 -6.503 -3.868 -1.492 1.00 0.00 C ATOM 535 CE2 TYR A 431 -8.665 -4.460 -0.655 1.00 0.00 C ATOM 536 CZ TYR A 431 -7.533 -4.779 -1.373 1.00 0.00 C ATOM 537 OH TYR A 431 -7.429 -6.012 -1.974 1.00 0.00 O ATOM 0 H TYR A 431 -7.935 -1.786 3.368 1.00 0.00 H new ATOM 0 HA TYR A 431 -5.957 -0.773 1.492 1.00 0.00 H new ATOM 0 HB2 TYR A 431 -8.903 -0.747 0.757 1.00 0.00 H new ATOM 0 HB3 TYR A 431 -7.562 -0.161 -0.207 1.00 0.00 H new ATOM 0 HD1 TYR A 431 -5.805 -1.920 -0.980 1.00 0.00 H new ATOM 0 HD2 TYR A 431 -9.656 -2.974 0.510 1.00 0.00 H new ATOM 0 HE1 TYR A 431 -5.617 -4.120 -2.055 1.00 0.00 H new ATOM 0 HE2 TYR A 431 -9.469 -5.175 -0.564 1.00 0.00 H new ATOM 0 HH TYR A 431 -6.570 -6.077 -2.441 1.00 0.00 H new ATOM 547 N TYR A 432 -6.319 1.199 2.971 1.00 0.00 N ATOM 548 CA TYR A 432 -6.507 2.465 3.669 1.00 0.00 C ATOM 549 C TYR A 432 -6.420 3.638 2.696 1.00 0.00 C ATOM 550 O TYR A 432 -6.339 3.443 1.483 1.00 0.00 O ATOM 551 CB TYR A 432 -5.461 2.621 4.774 1.00 0.00 C ATOM 552 CG TYR A 432 -5.426 1.461 5.742 1.00 0.00 C ATOM 553 CD1 TYR A 432 -4.713 0.306 5.444 1.00 0.00 C ATOM 554 CD2 TYR A 432 -6.104 1.521 6.952 1.00 0.00 C ATOM 555 CE1 TYR A 432 -4.679 -0.759 6.328 1.00 0.00 C ATOM 556 CE2 TYR A 432 -6.074 0.461 7.841 1.00 0.00 C ATOM 557 CZ TYR A 432 -5.360 -0.675 7.523 1.00 0.00 C ATOM 558 OH TYR A 432 -5.327 -1.731 8.404 1.00 0.00 O ATOM 0 H TYR A 432 -5.347 0.897 2.899 1.00 0.00 H new ATOM 0 HA TYR A 432 -7.500 2.463 4.119 1.00 0.00 H new ATOM 0 HB2 TYR A 432 -4.477 2.733 4.318 1.00 0.00 H new ATOM 0 HB3 TYR A 432 -5.663 3.539 5.327 1.00 0.00 H new ATOM 0 HD1 TYR A 432 -4.177 0.238 4.509 1.00 0.00 H new ATOM 0 HD2 TYR A 432 -6.664 2.410 7.204 1.00 0.00 H new ATOM 0 HE1 TYR A 432 -4.122 -1.651 6.082 1.00 0.00 H new ATOM 0 HE2 TYR A 432 -6.607 0.523 8.778 1.00 0.00 H new ATOM 0 HH TYR A 432 -5.857 -1.511 9.198 1.00 0.00 H new ATOM 568 N LYS A 433 -6.435 4.851 3.235 1.00 0.00 N ATOM 569 CA LYS A 433 -6.356 6.052 2.409 1.00 0.00 C ATOM 570 C LYS A 433 -6.130 7.293 3.265 1.00 0.00 C ATOM 571 O LYS A 433 -6.828 7.512 4.257 1.00 0.00 O ATOM 572 CB LYS A 433 -7.636 6.213 1.586 1.00 0.00 C ATOM 573 CG LYS A 433 -8.904 6.205 2.423 1.00 0.00 C ATOM 574 CD LYS A 433 -10.074 6.814 1.669 1.00 0.00 C ATOM 575 CE LYS A 433 -11.286 6.991 2.569 1.00 0.00 C ATOM 576 NZ LYS A 433 -11.158 8.189 3.444 1.00 0.00 N ATOM 0 H LYS A 433 -6.501 5.030 4.237 1.00 0.00 H new ATOM 0 HA LYS A 433 -5.507 5.942 1.735 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -7.584 7.149 1.029 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -7.690 5.408 0.853 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -9.147 5.181 2.707 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -8.736 6.761 3.345 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -9.780 7.780 1.259 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -10.336 6.176 0.825 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -12.183 7.083 1.956 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -11.412 6.102 3.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -12.083 8.413 3.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -10.472 7.994 4.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -10.829 8.998 2.879 1.00 0.00 H new ATOM 590 N CYS A 434 -5.152 8.105 2.874 1.00 0.00 N ATOM 591 CA CYS A 434 -4.835 9.327 3.603 1.00 0.00 C ATOM 592 C CYS A 434 -5.960 10.347 3.457 1.00 0.00 C ATOM 593 O CYS A 434 -6.043 11.057 2.455 1.00 0.00 O ATOM 594 CB CYS A 434 -3.517 9.918 3.093 1.00 0.00 C ATOM 595 SG CYS A 434 -2.898 11.306 4.074 1.00 0.00 S ATOM 0 H CYS A 434 -4.566 7.938 2.056 1.00 0.00 H new ATOM 0 HA CYS A 434 -4.728 9.081 4.659 1.00 0.00 H new ATOM 0 HB2 CYS A 434 -2.761 9.133 3.078 1.00 0.00 H new ATOM 0 HB3 CYS A 434 -3.654 10.248 2.063 1.00 0.00 H new ATOM 0 HG CYS A 434 -3.683 12.331 3.919 1.00 0.00 H new ATOM 600 N THR A 435 -6.827 10.410 4.464 1.00 0.00 N ATOM 601 CA THR A 435 -7.954 11.337 4.447 1.00 0.00 C ATOM 602 C THR A 435 -7.621 12.634 5.180 1.00 0.00 C ATOM 603 O THR A 435 -7.993 12.819 6.339 1.00 0.00 O ATOM 604 CB THR A 435 -9.209 10.711 5.083 1.00 0.00 C ATOM 605 OG1 THR A 435 -10.207 11.717 5.295 1.00 0.00 O ATOM 606 CG2 THR A 435 -8.872 10.041 6.407 1.00 0.00 C ATOM 0 H THR A 435 -6.771 9.830 5.301 1.00 0.00 H new ATOM 0 HA THR A 435 -8.157 11.559 3.399 1.00 0.00 H new ATOM 0 HB THR A 435 -9.594 9.955 4.398 1.00 0.00 H new ATOM 0 HG1 THR A 435 -9.911 12.328 6.002 1.00 0.00 H new ATOM 0 HG21 THR A 435 -9.775 9.607 6.835 1.00 0.00 H new ATOM 0 HG22 THR A 435 -8.136 9.255 6.240 1.00 0.00 H new ATOM 0 HG23 THR A 435 -8.463 10.781 7.095 1.00 0.00 H new ATOM 614 N THR A 436 -6.922 13.530 4.493 1.00 0.00 N ATOM 615 CA THR A 436 -6.541 14.814 5.071 1.00 0.00 C ATOM 616 C THR A 436 -7.479 15.923 4.598 1.00 0.00 C ATOM 617 O THR A 436 -8.195 15.758 3.610 1.00 0.00 O ATOM 618 CB THR A 436 -5.087 15.181 4.705 1.00 0.00 C ATOM 619 OG1 THR A 436 -4.451 14.071 4.060 1.00 0.00 O ATOM 620 CG2 THR A 436 -4.291 15.567 5.943 1.00 0.00 C ATOM 0 H THR A 436 -6.607 13.391 3.533 1.00 0.00 H new ATOM 0 HA THR A 436 -6.618 14.718 6.154 1.00 0.00 H new ATOM 0 HB THR A 436 -5.115 16.035 4.029 1.00 0.00 H new ATOM 0 HG1 THR A 436 -3.490 14.246 3.980 1.00 0.00 H new ATOM 0 HG21 THR A 436 -3.271 15.821 5.655 1.00 0.00 H new ATOM 0 HG22 THR A 436 -4.758 16.428 6.422 1.00 0.00 H new ATOM 0 HG23 THR A 436 -4.274 14.729 6.640 1.00 0.00 H new ATOM 628 N PRO A 437 -7.494 17.072 5.299 1.00 0.00 N ATOM 629 CA PRO A 437 -8.356 18.204 4.939 1.00 0.00 C ATOM 630 C PRO A 437 -8.174 18.633 3.486 1.00 0.00 C ATOM 631 O PRO A 437 -9.091 19.177 2.870 1.00 0.00 O ATOM 632 CB PRO A 437 -7.902 19.315 5.888 1.00 0.00 C ATOM 633 CG PRO A 437 -7.317 18.598 7.055 1.00 0.00 C ATOM 634 CD PRO A 437 -6.676 17.361 6.492 1.00 0.00 C ATOM 0 HA PRO A 437 -9.413 17.955 5.030 1.00 0.00 H new ATOM 0 HB2 PRO A 437 -7.167 19.966 5.414 1.00 0.00 H new ATOM 0 HB3 PRO A 437 -8.739 19.945 6.189 1.00 0.00 H new ATOM 0 HG2 PRO A 437 -6.584 19.220 7.569 1.00 0.00 H new ATOM 0 HG3 PRO A 437 -8.086 18.343 7.784 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -5.631 17.531 6.232 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -6.697 16.536 7.204 1.00 0.00 H new ATOM 642 N GLY A 438 -6.986 18.383 2.944 1.00 0.00 N ATOM 643 CA GLY A 438 -6.707 18.748 1.568 1.00 0.00 C ATOM 644 C GLY A 438 -5.886 17.698 0.848 1.00 0.00 C ATOM 645 O GLY A 438 -4.978 18.025 0.084 1.00 0.00 O ATOM 0 H GLY A 438 -6.212 17.934 3.434 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -7.647 18.898 1.037 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -6.174 19.699 1.548 1.00 0.00 H new ATOM 649 N CYS A 439 -6.203 16.431 1.097 1.00 0.00 N ATOM 650 CA CYS A 439 -5.487 15.325 0.471 1.00 0.00 C ATOM 651 C CYS A 439 -6.295 14.034 0.577 1.00 0.00 C ATOM 652 O CYS A 439 -6.758 13.666 1.656 1.00 0.00 O ATOM 653 CB CYS A 439 -4.113 15.156 1.128 1.00 0.00 C ATOM 654 SG CYS A 439 -3.262 13.610 0.722 1.00 0.00 S ATOM 0 H CYS A 439 -6.951 16.145 1.728 1.00 0.00 H new ATOM 0 HA CYS A 439 -5.346 15.550 -0.586 1.00 0.00 H new ATOM 0 HB2 CYS A 439 -3.479 15.992 0.832 1.00 0.00 H new ATOM 0 HB3 CYS A 439 -4.233 15.215 2.210 1.00 0.00 H new ATOM 0 HG CYS A 439 -3.244 13.451 -0.568 1.00 0.00 H new ATOM 659 N GLY A 440 -6.460 13.351 -0.553 1.00 0.00 N ATOM 660 CA GLY A 440 -7.212 12.109 -0.567 1.00 0.00 C ATOM 661 C GLY A 440 -6.450 10.975 -1.224 1.00 0.00 C ATOM 662 O GLY A 440 -6.883 10.435 -2.241 1.00 0.00 O ATOM 0 H GLY A 440 -6.086 13.636 -1.458 1.00 0.00 H new ATOM 0 HA2 GLY A 440 -7.463 11.829 0.456 1.00 0.00 H new ATOM 0 HA3 GLY A 440 -8.153 12.264 -1.095 1.00 0.00 H new ATOM 666 N VAL A 441 -5.312 10.614 -0.641 1.00 0.00 N ATOM 667 CA VAL A 441 -4.486 9.537 -1.174 1.00 0.00 C ATOM 668 C VAL A 441 -5.018 8.174 -0.742 1.00 0.00 C ATOM 669 O VAL A 441 -5.690 8.055 0.282 1.00 0.00 O ATOM 670 CB VAL A 441 -3.020 9.673 -0.718 1.00 0.00 C ATOM 671 CG1 VAL A 441 -2.151 8.613 -1.379 1.00 0.00 C ATOM 672 CG2 VAL A 441 -2.494 11.067 -1.022 1.00 0.00 C ATOM 0 H VAL A 441 -4.940 11.052 0.202 1.00 0.00 H new ATOM 0 HA VAL A 441 -4.527 9.614 -2.261 1.00 0.00 H new ATOM 0 HB VAL A 441 -2.980 9.520 0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 441 -1.120 8.727 -1.044 1.00 0.00 H new ATOM 0 HG12 VAL A 441 -2.514 7.622 -1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 441 -2.195 8.730 -2.462 1.00 0.00 H new ATOM 0 HG21 VAL A 441 -1.458 11.145 -0.693 1.00 0.00 H new ATOM 0 HG22 VAL A 441 -2.549 11.251 -2.095 1.00 0.00 H new ATOM 0 HG23 VAL A 441 -3.098 11.806 -0.496 1.00 0.00 H new ATOM 682 N ARG A 442 -4.713 7.147 -1.531 1.00 0.00 N ATOM 683 CA ARG A 442 -5.161 5.793 -1.230 1.00 0.00 C ATOM 684 C ARG A 442 -3.989 4.816 -1.237 1.00 0.00 C ATOM 685 O ARG A 442 -3.102 4.900 -2.088 1.00 0.00 O ATOM 686 CB ARG A 442 -6.217 5.346 -2.242 1.00 0.00 C ATOM 687 CG ARG A 442 -7.319 6.370 -2.464 1.00 0.00 C ATOM 688 CD ARG A 442 -8.691 5.793 -2.149 1.00 0.00 C ATOM 689 NE ARG A 442 -9.769 6.618 -2.690 1.00 0.00 N ATOM 690 CZ ARG A 442 -11.033 6.548 -2.279 1.00 0.00 C ATOM 691 NH1 ARG A 442 -11.382 5.697 -1.324 1.00 0.00 N ATOM 692 NH2 ARG A 442 -11.952 7.335 -2.825 1.00 0.00 N ATOM 0 H ARG A 442 -4.158 7.228 -2.383 1.00 0.00 H new ATOM 0 HA ARG A 442 -5.601 5.797 -0.233 1.00 0.00 H new ATOM 0 HB2 ARG A 442 -5.730 5.137 -3.194 1.00 0.00 H new ATOM 0 HB3 ARG A 442 -6.664 4.412 -1.900 1.00 0.00 H new ATOM 0 HG2 ARG A 442 -7.138 7.242 -1.836 1.00 0.00 H new ATOM 0 HG3 ARG A 442 -7.296 6.712 -3.499 1.00 0.00 H new ATOM 0 HD2 ARG A 442 -8.764 4.786 -2.560 1.00 0.00 H new ATOM 0 HD3 ARG A 442 -8.808 5.706 -1.069 1.00 0.00 H new ATOM 0 HE ARG A 442 -9.539 7.286 -3.425 1.00 0.00 H new ATOM 0 HH11 ARG A 442 -10.680 5.091 -0.900 1.00 0.00 H new ATOM 0 HH12 ARG A 442 -12.352 5.649 -1.014 1.00 0.00 H new ATOM 0 HH21 ARG A 442 -11.689 7.993 -3.559 1.00 0.00 H new ATOM 0 HH22 ARG A 442 -12.921 7.282 -2.511 1.00 0.00 H new ATOM 706 N LYS A 443 -3.991 3.888 -0.284 1.00 0.00 N ATOM 707 CA LYS A 443 -2.929 2.895 -0.181 1.00 0.00 C ATOM 708 C LYS A 443 -3.507 1.505 0.070 1.00 0.00 C ATOM 709 O LYS A 443 -4.636 1.369 0.541 1.00 0.00 O ATOM 710 CB LYS A 443 -1.958 3.267 0.941 1.00 0.00 C ATOM 711 CG LYS A 443 -2.592 3.255 2.323 1.00 0.00 C ATOM 712 CD LYS A 443 -1.548 3.424 3.416 1.00 0.00 C ATOM 713 CE LYS A 443 -2.026 2.845 4.737 1.00 0.00 C ATOM 714 NZ LYS A 443 -0.931 2.780 5.744 1.00 0.00 N ATOM 0 H LYS A 443 -4.717 3.804 0.428 1.00 0.00 H new ATOM 0 HA LYS A 443 -2.388 2.879 -1.127 1.00 0.00 H new ATOM 0 HB2 LYS A 443 -1.119 2.572 0.929 1.00 0.00 H new ATOM 0 HB3 LYS A 443 -1.552 4.260 0.745 1.00 0.00 H new ATOM 0 HG2 LYS A 443 -3.328 4.056 2.394 1.00 0.00 H new ATOM 0 HG3 LYS A 443 -3.127 2.317 2.471 1.00 0.00 H new ATOM 0 HD2 LYS A 443 -0.623 2.933 3.116 1.00 0.00 H new ATOM 0 HD3 LYS A 443 -1.320 4.482 3.543 1.00 0.00 H new ATOM 0 HE2 LYS A 443 -2.842 3.454 5.126 1.00 0.00 H new ATOM 0 HE3 LYS A 443 -2.426 1.845 4.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 -1.298 2.379 6.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 -0.163 2.178 5.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 -0.566 3.737 5.922 1.00 0.00 H new ATOM 728 N HIS A 444 -2.727 0.478 -0.248 1.00 0.00 N ATOM 729 CA HIS A 444 -3.162 -0.900 -0.057 1.00 0.00 C ATOM 730 C HIS A 444 -2.177 -1.667 0.821 1.00 0.00 C ATOM 731 O HIS A 444 -1.057 -1.214 1.057 1.00 0.00 O ATOM 732 CB HIS A 444 -3.310 -1.603 -1.408 1.00 0.00 C ATOM 733 CG HIS A 444 -4.044 -0.789 -2.427 1.00 0.00 C ATOM 734 ND1 HIS A 444 -5.071 0.084 -2.292 1.00 0.00 N flip ATOM 735 CD2 HIS A 444 -3.747 -0.823 -3.774 1.00 0.00 C flip ATOM 736 CE1 HIS A 444 -5.370 0.557 -3.545 1.00 0.00 C flip ATOM 737 NE2 HIS A 444 -4.556 -0.003 -4.421 1.00 0.00 N flip ATOM 0 H HIS A 444 -1.790 0.574 -0.639 1.00 0.00 H new ATOM 0 HA HIS A 444 -4.130 -0.881 0.444 1.00 0.00 H new ATOM 0 HB2 HIS A 444 -2.319 -1.845 -1.793 1.00 0.00 H new ATOM 0 HB3 HIS A 444 -3.835 -2.547 -1.262 1.00 0.00 H new ATOM 0 HD2 HIS A 444 -2.974 -1.425 -4.228 1.00 0.00 H new ATOM 0 HE1 HIS A 444 -6.146 1.272 -3.777 1.00 0.00 H new ATOM 0 HE2 HIS A 444 -4.552 0.168 -5.426 1.00 0.00 H new ATOM 746 N VAL A 445 -2.604 -2.830 1.304 1.00 0.00 N ATOM 747 CA VAL A 445 -1.762 -3.660 2.155 1.00 0.00 C ATOM 748 C VAL A 445 -1.993 -5.142 1.882 1.00 0.00 C ATOM 749 O VAL A 445 -2.916 -5.746 2.427 1.00 0.00 O ATOM 750 CB VAL A 445 -2.020 -3.379 3.647 1.00 0.00 C ATOM 751 CG1 VAL A 445 -1.002 -4.101 4.515 1.00 0.00 C ATOM 752 CG2 VAL A 445 -1.996 -1.882 3.921 1.00 0.00 C ATOM 0 H VAL A 445 -3.529 -3.218 1.120 1.00 0.00 H new ATOM 0 HA VAL A 445 -0.729 -3.407 1.918 1.00 0.00 H new ATOM 0 HB VAL A 445 -3.010 -3.758 3.900 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -1.203 -3.888 5.565 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -1.073 -5.175 4.342 1.00 0.00 H new ATOM 0 HG13 VAL A 445 0.001 -3.758 4.261 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -2.180 -1.703 4.980 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -1.021 -1.478 3.649 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -2.770 -1.392 3.330 1.00 0.00 H new ATOM 762 N GLU A 446 -1.151 -5.720 1.032 1.00 0.00 N ATOM 763 CA GLU A 446 -1.264 -7.132 0.684 1.00 0.00 C ATOM 764 C GLU A 446 -0.186 -7.953 1.383 1.00 0.00 C ATOM 765 O GLU A 446 1.002 -7.648 1.286 1.00 0.00 O ATOM 766 CB GLU A 446 -1.162 -7.316 -0.831 1.00 0.00 C ATOM 767 CG GLU A 446 -2.507 -7.289 -1.540 1.00 0.00 C ATOM 768 CD GLU A 446 -3.075 -5.889 -1.663 1.00 0.00 C ATOM 769 OE1 GLU A 446 -3.537 -5.344 -0.639 1.00 0.00 O ATOM 770 OE2 GLU A 446 -3.056 -5.337 -2.784 1.00 0.00 O ATOM 0 H GLU A 446 -0.383 -5.232 0.571 1.00 0.00 H new ATOM 0 HA GLU A 446 -2.239 -7.486 1.020 1.00 0.00 H new ATOM 0 HB2 GLU A 446 -0.528 -6.530 -1.242 1.00 0.00 H new ATOM 0 HB3 GLU A 446 -0.669 -8.265 -1.041 1.00 0.00 H new ATOM 0 HG2 GLU A 446 -2.398 -7.721 -2.535 1.00 0.00 H new ATOM 0 HG3 GLU A 446 -3.213 -7.917 -0.996 1.00 0.00 H new ATOM 777 N ARG A 447 -0.610 -8.999 2.086 1.00 0.00 N ATOM 778 CA ARG A 447 0.320 -9.867 2.801 1.00 0.00 C ATOM 779 C ARG A 447 0.453 -11.215 2.100 1.00 0.00 C ATOM 780 O ARG A 447 -0.318 -12.138 2.359 1.00 0.00 O ATOM 781 CB ARG A 447 -0.148 -10.072 4.243 1.00 0.00 C ATOM 782 CG ARG A 447 0.243 -8.937 5.177 1.00 0.00 C ATOM 783 CD ARG A 447 -0.978 -8.262 5.781 1.00 0.00 C ATOM 784 NE ARG A 447 -0.644 -7.494 6.977 1.00 0.00 N ATOM 785 CZ ARG A 447 -1.549 -7.002 7.820 1.00 0.00 C ATOM 786 NH1 ARG A 447 -2.844 -7.196 7.601 1.00 0.00 N ATOM 787 NH2 ARG A 447 -1.159 -6.316 8.884 1.00 0.00 N ATOM 0 H ARG A 447 -1.590 -9.266 2.176 1.00 0.00 H new ATOM 0 HA ARG A 447 1.297 -9.384 2.809 1.00 0.00 H new ATOM 0 HB2 ARG A 447 -1.232 -10.182 4.252 1.00 0.00 H new ATOM 0 HB3 ARG A 447 0.270 -11.004 4.623 1.00 0.00 H new ATOM 0 HG2 ARG A 447 0.877 -9.324 5.975 1.00 0.00 H new ATOM 0 HG3 ARG A 447 0.832 -8.201 4.630 1.00 0.00 H new ATOM 0 HD2 ARG A 447 -1.430 -7.602 5.041 1.00 0.00 H new ATOM 0 HD3 ARG A 447 -1.723 -9.017 6.032 1.00 0.00 H new ATOM 0 HE ARG A 447 0.341 -7.324 7.179 1.00 0.00 H new ATOM 0 HH11 ARG A 447 -3.149 -7.724 6.784 1.00 0.00 H new ATOM 0 HH12 ARG A 447 -3.533 -6.817 8.250 1.00 0.00 H new ATOM 0 HH21 ARG A 447 -0.165 -6.165 9.057 1.00 0.00 H new ATOM 0 HH22 ARG A 447 -1.852 -5.939 9.530 1.00 0.00 H new ATOM 801 N ALA A 448 1.435 -11.319 1.211 1.00 0.00 N ATOM 802 CA ALA A 448 1.668 -12.554 0.472 1.00 0.00 C ATOM 803 C ALA A 448 1.961 -13.714 1.419 1.00 0.00 C ATOM 804 O ALA A 448 2.871 -13.641 2.245 1.00 0.00 O ATOM 805 CB ALA A 448 2.813 -12.371 -0.514 1.00 0.00 C ATOM 0 H ALA A 448 2.082 -10.563 0.985 1.00 0.00 H new ATOM 0 HA ALA A 448 0.761 -12.793 -0.083 1.00 0.00 H new ATOM 0 HB1 ALA A 448 2.976 -13.301 -1.059 1.00 0.00 H new ATOM 0 HB2 ALA A 448 2.564 -11.577 -1.218 1.00 0.00 H new ATOM 0 HB3 ALA A 448 3.720 -12.104 0.028 1.00 0.00 H new ATOM 811 N ALA A 449 1.181 -14.783 1.291 1.00 0.00 N ATOM 812 CA ALA A 449 1.353 -15.960 2.134 1.00 0.00 C ATOM 813 C ALA A 449 2.390 -16.915 1.548 1.00 0.00 C ATOM 814 O ALA A 449 2.966 -17.734 2.265 1.00 0.00 O ATOM 815 CB ALA A 449 0.023 -16.674 2.320 1.00 0.00 C ATOM 0 H ALA A 449 0.424 -14.858 0.612 1.00 0.00 H new ATOM 0 HA ALA A 449 1.716 -15.627 3.106 1.00 0.00 H new ATOM 0 HB1 ALA A 449 0.166 -17.551 2.951 1.00 0.00 H new ATOM 0 HB2 ALA A 449 -0.690 -15.998 2.793 1.00 0.00 H new ATOM 0 HB3 ALA A 449 -0.362 -16.985 1.349 1.00 0.00 H new ATOM 821 N THR A 450 2.625 -16.806 0.243 1.00 0.00 N ATOM 822 CA THR A 450 3.593 -17.661 -0.436 1.00 0.00 C ATOM 823 C THR A 450 4.937 -17.663 0.288 1.00 0.00 C ATOM 824 O THR A 450 5.633 -18.677 0.322 1.00 0.00 O ATOM 825 CB THR A 450 3.813 -17.212 -1.893 1.00 0.00 C ATOM 826 OG1 THR A 450 3.816 -15.783 -1.972 1.00 0.00 O ATOM 827 CG2 THR A 450 2.728 -17.772 -2.801 1.00 0.00 C ATOM 0 H THR A 450 2.158 -16.133 -0.365 1.00 0.00 H new ATOM 0 HA THR A 450 3.179 -18.669 -0.429 1.00 0.00 H new ATOM 0 HB THR A 450 4.778 -17.595 -2.225 1.00 0.00 H new ATOM 0 HG1 THR A 450 3.958 -15.507 -2.902 1.00 0.00 H new ATOM 0 HG21 THR A 450 2.904 -17.442 -3.825 1.00 0.00 H new ATOM 0 HG22 THR A 450 2.748 -18.861 -2.763 1.00 0.00 H new ATOM 0 HG23 THR A 450 1.754 -17.415 -2.467 1.00 0.00 H new ATOM 835 N ASP A 451 5.289 -16.521 0.869 1.00 0.00 N ATOM 836 CA ASP A 451 6.546 -16.391 1.597 1.00 0.00 C ATOM 837 C ASP A 451 6.313 -16.509 3.101 1.00 0.00 C ATOM 838 O ASP A 451 5.183 -16.388 3.574 1.00 0.00 O ATOM 839 CB ASP A 451 7.211 -15.051 1.270 1.00 0.00 C ATOM 840 CG ASP A 451 8.623 -15.220 0.744 1.00 0.00 C ATOM 841 OD1 ASP A 451 8.811 -16.000 -0.214 1.00 0.00 O ATOM 842 OD2 ASP A 451 9.542 -14.573 1.289 1.00 0.00 O ATOM 0 H ASP A 451 4.722 -15.673 0.850 1.00 0.00 H new ATOM 0 HA ASP A 451 7.208 -17.199 1.286 1.00 0.00 H new ATOM 0 HB2 ASP A 451 6.611 -14.522 0.530 1.00 0.00 H new ATOM 0 HB3 ASP A 451 7.232 -14.430 2.166 1.00 0.00 H new ATOM 847 N PRO A 452 7.386 -16.746 3.878 1.00 0.00 N ATOM 848 CA PRO A 452 7.289 -16.879 5.335 1.00 0.00 C ATOM 849 C PRO A 452 6.524 -15.723 5.972 1.00 0.00 C ATOM 850 O PRO A 452 5.865 -15.893 6.998 1.00 0.00 O ATOM 851 CB PRO A 452 8.751 -16.868 5.788 1.00 0.00 C ATOM 852 CG PRO A 452 9.512 -17.382 4.616 1.00 0.00 C ATOM 853 CD PRO A 452 8.771 -16.902 3.398 1.00 0.00 C ATOM 0 HA PRO A 452 6.744 -17.776 5.629 1.00 0.00 H new ATOM 0 HB2 PRO A 452 9.074 -15.863 6.060 1.00 0.00 H new ATOM 0 HB3 PRO A 452 8.899 -17.499 6.664 1.00 0.00 H new ATOM 0 HG2 PRO A 452 10.536 -17.009 4.622 1.00 0.00 H new ATOM 0 HG3 PRO A 452 9.569 -18.470 4.634 1.00 0.00 H new ATOM 0 HD2 PRO A 452 9.176 -15.960 3.027 1.00 0.00 H new ATOM 0 HD3 PRO A 452 8.834 -17.620 2.581 1.00 0.00 H new ATOM 861 N LYS A 453 6.616 -14.550 5.355 1.00 0.00 N ATOM 862 CA LYS A 453 5.931 -13.364 5.859 1.00 0.00 C ATOM 863 C LYS A 453 6.169 -12.169 4.939 1.00 0.00 C ATOM 864 O LYS A 453 7.010 -11.317 5.221 1.00 0.00 O ATOM 865 CB LYS A 453 6.408 -13.034 7.275 1.00 0.00 C ATOM 866 CG LYS A 453 5.726 -11.819 7.880 1.00 0.00 C ATOM 867 CD LYS A 453 4.247 -12.074 8.126 1.00 0.00 C ATOM 868 CE LYS A 453 3.402 -10.871 7.745 1.00 0.00 C ATOM 869 NZ LYS A 453 3.118 -9.996 8.917 1.00 0.00 N ATOM 0 H LYS A 453 7.158 -14.394 4.505 1.00 0.00 H new ATOM 0 HA LYS A 453 4.862 -13.576 5.885 1.00 0.00 H new ATOM 0 HB2 LYS A 453 6.233 -13.896 7.918 1.00 0.00 H new ATOM 0 HB3 LYS A 453 7.484 -12.864 7.256 1.00 0.00 H new ATOM 0 HG2 LYS A 453 6.212 -11.558 8.820 1.00 0.00 H new ATOM 0 HG3 LYS A 453 5.843 -10.965 7.213 1.00 0.00 H new ATOM 0 HD2 LYS A 453 3.926 -12.942 7.550 1.00 0.00 H new ATOM 0 HD3 LYS A 453 4.088 -12.313 9.178 1.00 0.00 H new ATOM 0 HE2 LYS A 453 3.918 -10.294 6.978 1.00 0.00 H new ATOM 0 HE3 LYS A 453 2.462 -11.211 7.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 2.539 -9.187 8.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 2.603 -10.539 9.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 4.013 -9.650 9.317 1.00 0.00 H new ATOM 883 N ALA A 454 5.423 -12.115 3.842 1.00 0.00 N ATOM 884 CA ALA A 454 5.555 -11.023 2.885 1.00 0.00 C ATOM 885 C ALA A 454 4.440 -9.997 3.062 1.00 0.00 C ATOM 886 O ALA A 454 3.270 -10.355 3.201 1.00 0.00 O ATOM 887 CB ALA A 454 5.553 -11.565 1.463 1.00 0.00 C ATOM 0 H ALA A 454 4.722 -12.813 3.593 1.00 0.00 H new ATOM 0 HA ALA A 454 6.505 -10.523 3.072 1.00 0.00 H new ATOM 0 HB1 ALA A 454 5.652 -10.739 0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 454 6.388 -12.253 1.335 1.00 0.00 H new ATOM 0 HB3 ALA A 454 4.617 -12.091 1.276 1.00 0.00 H new ATOM 893 N VAL A 455 4.811 -8.721 3.057 1.00 0.00 N ATOM 894 CA VAL A 455 3.843 -7.643 3.217 1.00 0.00 C ATOM 895 C VAL A 455 4.079 -6.537 2.194 1.00 0.00 C ATOM 896 O VAL A 455 4.676 -5.506 2.507 1.00 0.00 O ATOM 897 CB VAL A 455 3.903 -7.042 4.634 1.00 0.00 C ATOM 898 CG1 VAL A 455 2.767 -6.052 4.844 1.00 0.00 C ATOM 899 CG2 VAL A 455 3.862 -8.143 5.684 1.00 0.00 C ATOM 0 H VAL A 455 5.775 -8.408 2.944 1.00 0.00 H new ATOM 0 HA VAL A 455 2.856 -8.076 3.057 1.00 0.00 H new ATOM 0 HB VAL A 455 4.846 -6.505 4.741 1.00 0.00 H new ATOM 0 HG11 VAL A 455 2.826 -5.638 5.851 1.00 0.00 H new ATOM 0 HG12 VAL A 455 2.848 -5.246 4.115 1.00 0.00 H new ATOM 0 HG13 VAL A 455 1.812 -6.562 4.717 1.00 0.00 H new ATOM 0 HG21 VAL A 455 3.905 -7.699 6.679 1.00 0.00 H new ATOM 0 HG22 VAL A 455 2.937 -8.711 5.580 1.00 0.00 H new ATOM 0 HG23 VAL A 455 4.714 -8.809 5.546 1.00 0.00 H new ATOM 909 N VAL A 456 3.605 -6.756 0.972 1.00 0.00 N ATOM 910 CA VAL A 456 3.765 -5.779 -0.096 1.00 0.00 C ATOM 911 C VAL A 456 2.790 -4.617 0.074 1.00 0.00 C ATOM 912 O VAL A 456 1.588 -4.823 0.253 1.00 0.00 O ATOM 913 CB VAL A 456 3.554 -6.420 -1.482 1.00 0.00 C ATOM 914 CG1 VAL A 456 2.142 -6.972 -1.610 1.00 0.00 C ATOM 915 CG2 VAL A 456 3.845 -5.416 -2.589 1.00 0.00 C ATOM 0 H VAL A 456 3.107 -7.603 0.698 1.00 0.00 H new ATOM 0 HA VAL A 456 4.786 -5.404 -0.033 1.00 0.00 H new ATOM 0 HB VAL A 456 4.253 -7.250 -1.584 1.00 0.00 H new ATOM 0 HG11 VAL A 456 2.014 -7.420 -2.596 1.00 0.00 H new ATOM 0 HG12 VAL A 456 1.976 -7.729 -0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 456 1.422 -6.163 -1.483 1.00 0.00 H new ATOM 0 HG21 VAL A 456 3.690 -5.889 -3.559 1.00 0.00 H new ATOM 0 HG22 VAL A 456 3.175 -4.562 -2.491 1.00 0.00 H new ATOM 0 HG23 VAL A 456 4.878 -5.078 -2.511 1.00 0.00 H new ATOM 925 N THR A 457 3.314 -3.397 0.016 1.00 0.00 N ATOM 926 CA THR A 457 2.490 -2.204 0.163 1.00 0.00 C ATOM 927 C THR A 457 2.360 -1.461 -1.161 1.00 0.00 C ATOM 928 O THR A 457 3.227 -1.561 -2.030 1.00 0.00 O ATOM 929 CB THR A 457 3.071 -1.247 1.220 1.00 0.00 C ATOM 930 OG1 THR A 457 3.453 -1.981 2.389 1.00 0.00 O ATOM 931 CG2 THR A 457 2.058 -0.177 1.596 1.00 0.00 C ATOM 0 H THR A 457 4.306 -3.209 -0.132 1.00 0.00 H new ATOM 0 HA THR A 457 1.505 -2.538 0.488 1.00 0.00 H new ATOM 0 HB THR A 457 3.949 -0.761 0.794 1.00 0.00 H new ATOM 0 HG1 THR A 457 3.823 -1.365 3.056 1.00 0.00 H new ATOM 0 HG21 THR A 457 2.491 0.487 2.344 1.00 0.00 H new ATOM 0 HG22 THR A 457 1.791 0.399 0.710 1.00 0.00 H new ATOM 0 HG23 THR A 457 1.164 -0.649 2.004 1.00 0.00 H new ATOM 939 N THR A 458 1.270 -0.714 -1.310 1.00 0.00 N ATOM 940 CA THR A 458 1.026 0.048 -2.529 1.00 0.00 C ATOM 941 C THR A 458 0.630 1.485 -2.209 1.00 0.00 C ATOM 942 O THR A 458 -0.085 1.740 -1.239 1.00 0.00 O ATOM 943 CB THR A 458 -0.078 -0.599 -3.384 1.00 0.00 C ATOM 944 OG1 THR A 458 -0.164 -2.000 -3.099 1.00 0.00 O ATOM 945 CG2 THR A 458 0.197 -0.396 -4.866 1.00 0.00 C ATOM 0 H THR A 458 0.542 -0.621 -0.602 1.00 0.00 H new ATOM 0 HA THR A 458 1.958 0.048 -3.094 1.00 0.00 H new ATOM 0 HB THR A 458 -1.025 -0.120 -3.136 1.00 0.00 H new ATOM 0 HG1 THR A 458 -0.870 -2.402 -3.646 1.00 0.00 H new ATOM 0 HG21 THR A 458 -0.596 -0.862 -5.450 1.00 0.00 H new ATOM 0 HG22 THR A 458 0.232 0.671 -5.087 1.00 0.00 H new ATOM 0 HG23 THR A 458 1.153 -0.851 -5.124 1.00 0.00 H new ATOM 953 N TYR A 459 1.096 2.420 -3.029 1.00 0.00 N ATOM 954 CA TYR A 459 0.789 3.831 -2.831 1.00 0.00 C ATOM 955 C TYR A 459 0.295 4.468 -4.126 1.00 0.00 C ATOM 956 O TYR A 459 1.037 4.572 -5.102 1.00 0.00 O ATOM 957 CB TYR A 459 2.024 4.578 -2.323 1.00 0.00 C ATOM 958 CG TYR A 459 2.182 4.534 -0.819 1.00 0.00 C ATOM 959 CD1 TYR A 459 2.652 3.391 -0.185 1.00 0.00 C ATOM 960 CD2 TYR A 459 1.861 5.634 -0.035 1.00 0.00 C ATOM 961 CE1 TYR A 459 2.797 3.347 1.190 1.00 0.00 C ATOM 962 CE2 TYR A 459 2.004 5.599 1.338 1.00 0.00 C ATOM 963 CZ TYR A 459 2.472 4.453 1.945 1.00 0.00 C ATOM 964 OH TYR A 459 2.616 4.413 3.314 1.00 0.00 O ATOM 0 H TYR A 459 1.688 2.226 -3.837 1.00 0.00 H new ATOM 0 HA TYR A 459 -0.003 3.902 -2.086 1.00 0.00 H new ATOM 0 HB2 TYR A 459 2.913 4.150 -2.786 1.00 0.00 H new ATOM 0 HB3 TYR A 459 1.967 5.618 -2.644 1.00 0.00 H new ATOM 0 HD1 TYR A 459 2.908 2.523 -0.775 1.00 0.00 H new ATOM 0 HD2 TYR A 459 1.493 6.533 -0.507 1.00 0.00 H new ATOM 0 HE1 TYR A 459 3.163 2.451 1.669 1.00 0.00 H new ATOM 0 HE2 TYR A 459 1.751 6.464 1.933 1.00 0.00 H new ATOM 0 HH TYR A 459 2.345 5.274 3.697 1.00 0.00 H new ATOM 974 N GLU A 460 -0.964 4.893 -4.127 1.00 0.00 N ATOM 975 CA GLU A 460 -1.561 5.520 -5.302 1.00 0.00 C ATOM 976 C GLU A 460 -1.986 6.953 -4.996 1.00 0.00 C ATOM 977 O GLU A 460 -2.940 7.181 -4.252 1.00 0.00 O ATOM 978 CB GLU A 460 -2.764 4.708 -5.785 1.00 0.00 C ATOM 979 CG GLU A 460 -2.417 3.691 -6.860 1.00 0.00 C ATOM 980 CD GLU A 460 -3.403 2.540 -6.911 1.00 0.00 C ATOM 981 OE1 GLU A 460 -4.529 2.698 -6.395 1.00 0.00 O ATOM 982 OE2 GLU A 460 -3.049 1.479 -7.467 1.00 0.00 O ATOM 0 H GLU A 460 -1.592 4.815 -3.327 1.00 0.00 H new ATOM 0 HA GLU A 460 -0.810 5.544 -6.092 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -3.207 4.189 -4.935 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -3.521 5.390 -6.172 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -2.392 4.187 -7.830 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -1.416 3.300 -6.676 1.00 0.00 H new ATOM 989 N GLY A 461 -1.273 7.913 -5.575 1.00 0.00 N ATOM 990 CA GLY A 461 -1.592 9.312 -5.352 1.00 0.00 C ATOM 991 C GLY A 461 -0.498 10.042 -4.596 1.00 0.00 C ATOM 992 O GLY A 461 0.266 9.430 -3.851 1.00 0.00 O ATOM 0 H GLY A 461 -0.480 7.748 -6.195 1.00 0.00 H new ATOM 0 HA2 GLY A 461 -1.755 9.802 -6.312 1.00 0.00 H new ATOM 0 HA3 GLY A 461 -2.526 9.384 -4.794 1.00 0.00 H new ATOM 996 N LYS A 462 -0.423 11.355 -4.790 1.00 0.00 N ATOM 997 CA LYS A 462 0.585 12.170 -4.121 1.00 0.00 C ATOM 998 C LYS A 462 -0.047 13.033 -3.034 1.00 0.00 C ATOM 999 O LYS A 462 -1.175 13.503 -3.177 1.00 0.00 O ATOM 1000 CB LYS A 462 1.308 13.058 -5.137 1.00 0.00 C ATOM 1001 CG LYS A 462 1.681 12.335 -6.422 1.00 0.00 C ATOM 1002 CD LYS A 462 0.927 12.895 -7.617 1.00 0.00 C ATOM 1003 CE LYS A 462 0.561 11.800 -8.607 1.00 0.00 C ATOM 1004 NZ LYS A 462 -0.391 12.285 -9.643 1.00 0.00 N ATOM 0 H LYS A 462 -1.048 11.877 -5.405 1.00 0.00 H new ATOM 0 HA LYS A 462 1.307 11.500 -3.654 1.00 0.00 H new ATOM 0 HB2 LYS A 462 0.672 13.909 -5.380 1.00 0.00 H new ATOM 0 HB3 LYS A 462 2.213 13.457 -4.679 1.00 0.00 H new ATOM 0 HG2 LYS A 462 2.754 12.425 -6.593 1.00 0.00 H new ATOM 0 HG3 LYS A 462 1.463 11.272 -6.319 1.00 0.00 H new ATOM 0 HD2 LYS A 462 0.021 13.396 -7.275 1.00 0.00 H new ATOM 0 HD3 LYS A 462 1.539 13.648 -8.115 1.00 0.00 H new ATOM 0 HE2 LYS A 462 1.465 11.430 -9.090 1.00 0.00 H new ATOM 0 HE3 LYS A 462 0.118 10.960 -8.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 462 -0.616 11.509 -10.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 462 -1.264 12.615 -9.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 462 0.041 13.070 -10.171 1.00 0.00 H new ATOM 1018 N HIS A 463 0.690 13.235 -1.945 1.00 0.00 N ATOM 1019 CA HIS A 463 0.203 14.042 -0.834 1.00 0.00 C ATOM 1020 C HIS A 463 0.066 15.506 -1.242 1.00 0.00 C ATOM 1021 O HIS A 463 0.824 16.000 -2.076 1.00 0.00 O ATOM 1022 CB HIS A 463 1.147 13.921 0.364 1.00 0.00 C ATOM 1023 CG HIS A 463 1.076 12.593 1.051 1.00 0.00 C ATOM 1024 ND1 HIS A 463 0.031 12.223 1.872 1.00 0.00 N ATOM 1025 CD2 HIS A 463 1.927 11.540 1.035 1.00 0.00 C ATOM 1026 CE1 HIS A 463 0.243 11.003 2.333 1.00 0.00 C ATOM 1027 NE2 HIS A 463 1.387 10.566 1.839 1.00 0.00 N ATOM 0 H HIS A 463 1.625 12.851 -1.810 1.00 0.00 H new ATOM 0 HA HIS A 463 -0.782 13.669 -0.552 1.00 0.00 H new ATOM 0 HB2 HIS A 463 2.170 14.093 0.029 1.00 0.00 H new ATOM 0 HB3 HIS A 463 0.911 14.706 1.083 1.00 0.00 H new ATOM 0 HD2 HIS A 463 2.858 11.477 0.491 1.00 0.00 H new ATOM 0 HE1 HIS A 463 -0.408 10.457 3.000 1.00 0.00 H new ATOM 0 HE2 HIS A 463 1.802 9.653 2.024 1.00 0.00 H new ATOM 1035 N ASN A 464 -0.904 16.192 -0.648 1.00 0.00 N ATOM 1036 CA ASN A 464 -1.140 17.599 -0.952 1.00 0.00 C ATOM 1037 C ASN A 464 -1.200 18.429 0.327 1.00 0.00 C ATOM 1038 O ASN A 464 -2.030 19.328 0.459 1.00 0.00 O ATOM 1039 CB ASN A 464 -2.440 17.760 -1.740 1.00 0.00 C ATOM 1040 CG ASN A 464 -2.387 17.076 -3.091 1.00 0.00 C ATOM 1041 OD1 ASN A 464 -2.028 17.689 -4.096 1.00 0.00 O ATOM 1042 ND2 ASN A 464 -2.744 15.798 -3.122 1.00 0.00 N ATOM 0 H ASN A 464 -1.539 15.798 0.046 1.00 0.00 H new ATOM 0 HA ASN A 464 -0.309 17.959 -1.558 1.00 0.00 H new ATOM 0 HB2 ASN A 464 -3.266 17.349 -1.160 1.00 0.00 H new ATOM 0 HB3 ASN A 464 -2.647 18.821 -1.881 1.00 0.00 H new ATOM 0 HD21 ASN A 464 -2.727 15.285 -4.003 1.00 0.00 H new ATOM 0 HD22 ASN A 464 -3.035 15.329 -2.264 1.00 0.00 H new ATOM 1049 N HIS A 465 -0.311 18.123 1.269 1.00 0.00 N ATOM 1050 CA HIS A 465 -0.264 18.841 2.537 1.00 0.00 C ATOM 1051 C HIS A 465 1.071 18.618 3.240 1.00 0.00 C ATOM 1052 O HIS A 465 1.836 17.727 2.875 1.00 0.00 O ATOM 1053 CB HIS A 465 -1.409 18.390 3.444 1.00 0.00 C ATOM 1054 CG HIS A 465 -1.368 16.930 3.778 1.00 0.00 C ATOM 1055 ND1 HIS A 465 -1.058 16.453 5.034 1.00 0.00 N ATOM 1056 CD2 HIS A 465 -1.603 15.839 3.011 1.00 0.00 C ATOM 1057 CE1 HIS A 465 -1.103 15.133 5.026 1.00 0.00 C ATOM 1058 NE2 HIS A 465 -1.433 14.736 3.811 1.00 0.00 N ATOM 0 H HIS A 465 0.385 17.383 1.177 1.00 0.00 H new ATOM 0 HA HIS A 465 -0.371 19.905 2.327 1.00 0.00 H new ATOM 0 HB2 HIS A 465 -1.378 18.967 4.368 1.00 0.00 H new ATOM 0 HB3 HIS A 465 -2.358 18.617 2.958 1.00 0.00 H new ATOM 0 HD2 HIS A 465 -1.874 15.837 1.965 1.00 0.00 H new ATOM 0 HE1 HIS A 465 -0.904 14.488 5.869 1.00 0.00 H new ATOM 0 HE2 HIS A 465 -1.544 13.766 3.514 1.00 0.00 H new