USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=19 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 -70:sc= 0.14 USER MOD Set 1.2: A 436 THR OG1 : rot 176:sc= 1.27 USER MOD Set 1.3: A 439 CYS SG : rot -129:sc= -3.85! USER MOD Set 1.4: A 463 HIS : no HD1:sc= -3.59 X(o=-9.2,f=-9.2!) USER MOD Set 1.5: A 465 HIS : no HE2:sc= -3.2! C(o=-9.2!,f=-14!) 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=-0.00879 USER MOD Single : A 419 GLN : amide:sc= -0.185 X(o=-0.19,f=-0.012) USER MOD Single : A 420 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 423 LYS NZ :NH3+ 154:sc= -0.205 (180deg=-0.935) USER MOD Single : A 425 ASN : amide:sc= -1.19 K(o=-1.2,f=-3.5!) 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 -120:sc= -0.202 USER MOD Single : A 432 TYR OH : rot 180:sc= 0 USER MOD Single : A 433 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 435 THR OG1 : rot 180:sc= 0 USER MOD Single : A 443 LYS NZ :NH3+ -139:sc= 0.856 (180deg=0.0641) USER MOD Single : A 444 HIS : no HD1:sc= -0.628 K(o=-0.63,f=-1.2) USER MOD Single : A 450 THR OG1 : rot 180:sc= 0 USER MOD Single : A 453 LYS NZ :NH3+ -160:sc= -0.0189 (180deg=-0.15) 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 -116:sc= 0.731 USER MOD Single : A 462 LYS NZ :NH3+ 167:sc= -0.107 (180deg=-0.395) USER MOD Single : A 464 ASN : amide:sc= -0.386 K(o=-0.39,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 185 N TYR A 412 1.679 9.421 7.924 1.00 0.00 N ATOM 186 CA TYR A 412 0.475 9.965 7.306 1.00 0.00 C ATOM 187 C TYR A 412 -0.780 9.419 7.982 1.00 0.00 C ATOM 188 O TYR A 412 -0.755 8.347 8.585 1.00 0.00 O ATOM 189 CB TYR A 412 0.448 9.632 5.814 1.00 0.00 C ATOM 190 CG TYR A 412 1.520 10.335 5.014 1.00 0.00 C ATOM 191 CD1 TYR A 412 1.584 11.723 4.970 1.00 0.00 C ATOM 192 CD2 TYR A 412 2.469 9.612 4.302 1.00 0.00 C ATOM 193 CE1 TYR A 412 2.562 12.368 4.239 1.00 0.00 C ATOM 194 CE2 TYR A 412 3.451 10.250 3.569 1.00 0.00 C ATOM 195 CZ TYR A 412 3.493 11.628 3.541 1.00 0.00 C ATOM 196 OH TYR A 412 4.469 12.269 2.812 1.00 0.00 O ATOM 0 HA TYR A 412 0.491 11.048 7.431 1.00 0.00 H new ATOM 0 HB2 TYR A 412 0.562 8.555 5.689 1.00 0.00 H new ATOM 0 HB3 TYR A 412 -0.528 9.898 5.409 1.00 0.00 H new ATOM 0 HD1 TYR A 412 0.857 12.306 5.516 1.00 0.00 H new ATOM 0 HD2 TYR A 412 2.439 8.533 4.322 1.00 0.00 H new ATOM 0 HE1 TYR A 412 2.598 13.447 4.214 1.00 0.00 H new ATOM 0 HE2 TYR A 412 4.181 9.673 3.021 1.00 0.00 H new ATOM 0 HH TYR A 412 5.045 11.604 2.381 1.00 0.00 H new ATOM 206 N ARG A 413 -1.875 10.163 7.873 1.00 0.00 N ATOM 207 CA ARG A 413 -3.141 9.755 8.471 1.00 0.00 C ATOM 208 C ARG A 413 -3.993 8.991 7.461 1.00 0.00 C ATOM 209 O ARG A 413 -4.522 9.573 6.515 1.00 0.00 O ATOM 210 CB ARG A 413 -3.904 10.978 8.984 1.00 0.00 C ATOM 211 CG ARG A 413 -4.475 10.794 10.384 1.00 0.00 C ATOM 212 CD ARG A 413 -3.916 11.822 11.356 1.00 0.00 C ATOM 213 NE ARG A 413 -4.065 13.187 10.855 1.00 0.00 N ATOM 214 CZ ARG A 413 -3.914 14.273 11.609 1.00 0.00 C ATOM 215 NH1 ARG A 413 -3.609 14.158 12.896 1.00 0.00 N ATOM 216 NH2 ARG A 413 -4.066 15.477 11.076 1.00 0.00 N ATOM 0 H ARG A 413 -1.912 11.053 7.376 1.00 0.00 H new ATOM 0 HA ARG A 413 -2.926 9.095 9.311 1.00 0.00 H new ATOM 0 HB2 ARG A 413 -3.237 11.840 8.983 1.00 0.00 H new ATOM 0 HB3 ARG A 413 -4.718 11.204 8.295 1.00 0.00 H new ATOM 0 HG2 ARG A 413 -5.561 10.879 10.349 1.00 0.00 H new ATOM 0 HG3 ARG A 413 -4.245 9.791 10.742 1.00 0.00 H new ATOM 0 HD2 ARG A 413 -4.427 11.730 12.315 1.00 0.00 H new ATOM 0 HD3 ARG A 413 -2.861 11.615 11.536 1.00 0.00 H new ATOM 0 HE ARG A 413 -4.298 13.315 9.870 1.00 0.00 H new ATOM 0 HH11 ARG A 413 -3.489 13.234 13.311 1.00 0.00 H new ATOM 0 HH12 ARG A 413 -3.494 14.994 13.470 1.00 0.00 H new ATOM 0 HH21 ARG A 413 -4.299 15.571 10.087 1.00 0.00 H new ATOM 0 HH22 ARG A 413 -3.950 16.309 11.654 1.00 0.00 H new ATOM 230 N TRP A 414 -4.119 7.684 7.669 1.00 0.00 N ATOM 231 CA TRP A 414 -4.903 6.842 6.773 1.00 0.00 C ATOM 232 C TRP A 414 -6.209 6.406 7.431 1.00 0.00 C ATOM 233 O TRP A 414 -6.392 6.565 8.638 1.00 0.00 O ATOM 234 CB TRP A 414 -4.094 5.610 6.360 1.00 0.00 C ATOM 235 CG TRP A 414 -2.727 5.944 5.849 1.00 0.00 C ATOM 236 CD1 TRP A 414 -1.595 6.127 6.592 1.00 0.00 C ATOM 237 CD2 TRP A 414 -2.343 6.134 4.482 1.00 0.00 C ATOM 238 NE1 TRP A 414 -0.534 6.418 5.771 1.00 0.00 N ATOM 239 CE2 TRP A 414 -0.967 6.429 4.470 1.00 0.00 C ATOM 240 CE3 TRP A 414 -3.032 6.083 3.265 1.00 0.00 C ATOM 241 CZ2 TRP A 414 -0.268 6.672 3.292 1.00 0.00 C ATOM 242 CZ3 TRP A 414 -2.336 6.324 2.097 1.00 0.00 C ATOM 243 CH2 TRP A 414 -0.965 6.616 2.116 1.00 0.00 C ATOM 0 H TRP A 414 -3.689 7.186 8.449 1.00 0.00 H new ATOM 0 HA TRP A 414 -5.143 7.429 5.886 1.00 0.00 H new ATOM 0 HB2 TRP A 414 -4.001 4.941 7.216 1.00 0.00 H new ATOM 0 HB3 TRP A 414 -4.640 5.067 5.589 1.00 0.00 H new ATOM 0 HD1 TRP A 414 -1.543 6.053 7.668 1.00 0.00 H new ATOM 0 HE1 TRP A 414 0.422 6.597 6.079 1.00 0.00 H new ATOM 0 HE3 TRP A 414 -4.088 5.859 3.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 414 0.788 6.897 3.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 414 -2.857 6.287 1.152 1.00 0.00 H new ATOM 0 HH2 TRP A 414 -0.449 6.800 1.185 1.00 0.00 H new ATOM 254 N ARG A 415 -7.112 5.856 6.626 1.00 0.00 N ATOM 255 CA ARG A 415 -8.403 5.395 7.122 1.00 0.00 C ATOM 256 C ARG A 415 -8.962 4.291 6.228 1.00 0.00 C ATOM 257 O ARG A 415 -8.988 4.423 5.004 1.00 0.00 O ATOM 258 CB ARG A 415 -9.392 6.563 7.195 1.00 0.00 C ATOM 259 CG ARG A 415 -10.789 6.158 7.641 1.00 0.00 C ATOM 260 CD ARG A 415 -11.036 6.500 9.102 1.00 0.00 C ATOM 261 NE ARG A 415 -11.316 5.311 9.902 1.00 0.00 N ATOM 262 CZ ARG A 415 -11.973 5.331 11.060 1.00 0.00 C ATOM 263 NH1 ARG A 415 -12.414 6.478 11.562 1.00 0.00 N ATOM 264 NH2 ARG A 415 -12.186 4.200 11.720 1.00 0.00 N ATOM 0 H ARG A 415 -6.973 5.719 5.625 1.00 0.00 H new ATOM 0 HA ARG A 415 -8.259 4.990 8.124 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -9.004 7.313 7.884 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -9.456 7.034 6.214 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -11.529 6.662 7.019 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -10.922 5.087 7.491 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -10.163 7.012 9.507 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -11.875 7.192 9.176 1.00 0.00 H new ATOM 0 HE ARG A 415 -10.988 4.410 9.553 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -12.250 7.351 11.060 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -12.917 6.487 12.450 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -11.847 3.316 11.340 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -12.689 4.214 12.607 1.00 0.00 H new ATOM 278 N LYS A 416 -9.407 3.202 6.848 1.00 0.00 N ATOM 279 CA LYS A 416 -9.964 2.076 6.107 1.00 0.00 C ATOM 280 C LYS A 416 -11.336 2.427 5.537 1.00 0.00 C ATOM 281 O LYS A 416 -12.144 3.080 6.197 1.00 0.00 O ATOM 282 CB LYS A 416 -10.075 0.848 7.011 1.00 0.00 C ATOM 283 CG LYS A 416 -9.977 -0.470 6.260 1.00 0.00 C ATOM 284 CD LYS A 416 -10.120 -1.658 7.199 1.00 0.00 C ATOM 285 CE LYS A 416 -10.923 -2.778 6.559 1.00 0.00 C ATOM 286 NZ LYS A 416 -11.316 -3.815 7.553 1.00 0.00 N ATOM 0 H LYS A 416 -9.393 3.076 7.860 1.00 0.00 H new ATOM 0 HA LYS A 416 -9.292 1.849 5.279 1.00 0.00 H new ATOM 0 HB2 LYS A 416 -9.287 0.888 7.763 1.00 0.00 H new ATOM 0 HB3 LYS A 416 -11.025 0.884 7.543 1.00 0.00 H new ATOM 0 HG2 LYS A 416 -10.753 -0.513 5.496 1.00 0.00 H new ATOM 0 HG3 LYS A 416 -9.018 -0.526 5.744 1.00 0.00 H new ATOM 0 HD2 LYS A 416 -9.132 -2.028 7.473 1.00 0.00 H new ATOM 0 HD3 LYS A 416 -10.608 -1.339 8.120 1.00 0.00 H new ATOM 0 HE2 LYS A 416 -11.817 -2.364 6.093 1.00 0.00 H new ATOM 0 HE3 LYS A 416 -10.335 -3.239 5.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 416 -11.862 -4.562 7.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 416 -10.462 -4.228 7.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 416 -11.899 -3.380 8.297 1.00 0.00 H new ATOM 300 N TYR A 417 -11.589 1.989 4.309 1.00 0.00 N ATOM 301 CA TYR A 417 -12.862 2.257 3.650 1.00 0.00 C ATOM 302 C TYR A 417 -13.483 0.968 3.120 1.00 0.00 C ATOM 303 O TYR A 417 -14.675 0.721 3.299 1.00 0.00 O ATOM 304 CB TYR A 417 -12.668 3.251 2.504 1.00 0.00 C ATOM 305 CG TYR A 417 -11.734 2.756 1.423 1.00 0.00 C ATOM 306 CD1 TYR A 417 -10.374 2.603 1.668 1.00 0.00 C ATOM 307 CD2 TYR A 417 -12.210 2.442 0.156 1.00 0.00 C ATOM 308 CE1 TYR A 417 -9.518 2.151 0.684 1.00 0.00 C ATOM 309 CE2 TYR A 417 -11.360 1.989 -0.834 1.00 0.00 C ATOM 310 CZ TYR A 417 -10.016 1.845 -0.565 1.00 0.00 C ATOM 311 OH TYR A 417 -9.165 1.394 -1.548 1.00 0.00 O ATOM 0 H TYR A 417 -10.930 1.447 3.750 1.00 0.00 H new ATOM 0 HA TYR A 417 -13.539 2.690 4.387 1.00 0.00 H new ATOM 0 HB2 TYR A 417 -13.638 3.474 2.060 1.00 0.00 H new ATOM 0 HB3 TYR A 417 -12.280 4.186 2.907 1.00 0.00 H new ATOM 0 HD1 TYR A 417 -9.981 2.842 2.645 1.00 0.00 H new ATOM 0 HD2 TYR A 417 -13.263 2.554 -0.058 1.00 0.00 H new ATOM 0 HE1 TYR A 417 -8.464 2.038 0.891 1.00 0.00 H new ATOM 0 HE2 TYR A 417 -11.746 1.749 -1.814 1.00 0.00 H new ATOM 0 HH TYR A 417 -9.674 1.223 -2.368 1.00 0.00 H new ATOM 321 N GLY A 418 -12.664 0.148 2.467 1.00 0.00 N ATOM 322 CA GLY A 418 -13.150 -1.105 1.921 1.00 0.00 C ATOM 323 C GLY A 418 -12.252 -2.276 2.267 1.00 0.00 C ATOM 324 O GLY A 418 -11.047 -2.106 2.460 1.00 0.00 O ATOM 0 H GLY A 418 -11.673 0.330 2.307 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -14.154 -1.297 2.299 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -13.228 -1.019 0.837 1.00 0.00 H new ATOM 328 N GLN A 419 -12.837 -3.466 2.346 1.00 0.00 N ATOM 329 CA GLN A 419 -12.081 -4.670 2.671 1.00 0.00 C ATOM 330 C GLN A 419 -12.433 -5.808 1.717 1.00 0.00 C ATOM 331 O GLN A 419 -13.599 -6.003 1.372 1.00 0.00 O ATOM 332 CB GLN A 419 -12.356 -5.096 4.114 1.00 0.00 C ATOM 333 CG GLN A 419 -13.825 -5.373 4.398 1.00 0.00 C ATOM 334 CD GLN A 419 -14.022 -6.438 5.459 1.00 0.00 C ATOM 335 OE1 GLN A 419 -14.677 -6.205 6.474 1.00 0.00 O ATOM 336 NE2 GLN A 419 -13.455 -7.616 5.227 1.00 0.00 N ATOM 0 H GLN A 419 -13.833 -3.623 2.189 1.00 0.00 H new ATOM 0 HA GLN A 419 -11.020 -4.443 2.562 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -11.776 -5.992 4.336 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -12.005 -4.314 4.788 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -14.309 -4.451 4.719 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -14.317 -5.687 3.477 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -12.920 -7.765 4.371 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -13.554 -8.372 5.905 1.00 0.00 H new ATOM 345 N LYS A 420 -11.418 -6.553 1.293 1.00 0.00 N ATOM 346 CA LYS A 420 -11.620 -7.670 0.379 1.00 0.00 C ATOM 347 C LYS A 420 -11.033 -8.957 0.952 1.00 0.00 C ATOM 348 O LYS A 420 -10.144 -8.919 1.803 1.00 0.00 O ATOM 349 CB LYS A 420 -10.986 -7.366 -0.981 1.00 0.00 C ATOM 350 CG LYS A 420 -11.973 -6.837 -2.008 1.00 0.00 C ATOM 351 CD LYS A 420 -11.570 -7.230 -3.420 1.00 0.00 C ATOM 352 CE LYS A 420 -11.832 -8.703 -3.684 1.00 0.00 C ATOM 353 NZ LYS A 420 -13.120 -8.919 -4.400 1.00 0.00 N ATOM 0 H LYS A 420 -10.447 -6.403 1.568 1.00 0.00 H new ATOM 0 HA LYS A 420 -12.693 -7.809 0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 420 -10.189 -6.635 -0.846 1.00 0.00 H new ATOM 0 HB3 LYS A 420 -10.524 -8.274 -1.368 1.00 0.00 H new ATOM 0 HG2 LYS A 420 -12.968 -7.225 -1.791 1.00 0.00 H new ATOM 0 HG3 LYS A 420 -12.031 -5.751 -1.934 1.00 0.00 H new ATOM 0 HD2 LYS A 420 -12.124 -6.626 -4.139 1.00 0.00 H new ATOM 0 HD3 LYS A 420 -10.512 -7.015 -3.571 1.00 0.00 H new ATOM 0 HE2 LYS A 420 -11.015 -9.117 -4.275 1.00 0.00 H new ATOM 0 HE3 LYS A 420 -11.847 -9.244 -2.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 -13.261 -9.937 -4.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 -13.903 -8.547 -3.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 -13.096 -8.424 -5.314 1.00 0.00 H new ATOM 367 N VAL A 421 -11.535 -10.093 0.482 1.00 0.00 N ATOM 368 CA VAL A 421 -11.061 -11.390 0.949 1.00 0.00 C ATOM 369 C VAL A 421 -10.151 -12.046 -0.085 1.00 0.00 C ATOM 370 O VAL A 421 -10.235 -11.750 -1.277 1.00 0.00 O ATOM 371 CB VAL A 421 -12.236 -12.338 1.267 1.00 0.00 C ATOM 372 CG1 VAL A 421 -13.068 -12.601 0.021 1.00 0.00 C ATOM 373 CG2 VAL A 421 -11.725 -13.642 1.862 1.00 0.00 C ATOM 0 H VAL A 421 -12.271 -10.142 -0.223 1.00 0.00 H new ATOM 0 HA VAL A 421 -10.495 -11.211 1.863 1.00 0.00 H new ATOM 0 HB VAL A 421 -12.876 -11.855 2.005 1.00 0.00 H new ATOM 0 HG11 VAL A 421 -13.891 -13.272 0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 421 -13.468 -11.659 -0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 421 -12.442 -13.061 -0.744 1.00 0.00 H new ATOM 0 HG21 VAL A 421 -12.568 -14.298 2.080 1.00 0.00 H new ATOM 0 HG22 VAL A 421 -11.060 -14.131 1.150 1.00 0.00 H new ATOM 0 HG23 VAL A 421 -11.181 -13.433 2.783 1.00 0.00 H new ATOM 383 N VAL A 422 -9.283 -12.938 0.380 1.00 0.00 N ATOM 384 CA VAL A 422 -8.358 -13.637 -0.503 1.00 0.00 C ATOM 385 C VAL A 422 -8.462 -15.149 -0.321 1.00 0.00 C ATOM 386 O VAL A 422 -8.495 -15.647 0.803 1.00 0.00 O ATOM 387 CB VAL A 422 -6.902 -13.201 -0.255 1.00 0.00 C ATOM 388 CG1 VAL A 422 -5.971 -13.828 -1.282 1.00 0.00 C ATOM 389 CG2 VAL A 422 -6.786 -11.684 -0.276 1.00 0.00 C ATOM 0 H VAL A 422 -9.201 -13.194 1.364 1.00 0.00 H new ATOM 0 HA VAL A 422 -8.637 -13.375 -1.523 1.00 0.00 H new ATOM 0 HB VAL A 422 -6.603 -13.552 0.733 1.00 0.00 H new ATOM 0 HG11 VAL A 422 -4.947 -13.507 -1.089 1.00 0.00 H new ATOM 0 HG12 VAL A 422 -6.030 -14.914 -1.212 1.00 0.00 H new ATOM 0 HG13 VAL A 422 -6.267 -13.513 -2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 422 -5.750 -11.396 -0.099 1.00 0.00 H new ATOM 0 HG22 VAL A 422 -7.106 -11.308 -1.248 1.00 0.00 H new ATOM 0 HG23 VAL A 422 -7.419 -11.260 0.504 1.00 0.00 H new ATOM 399 N LYS A 423 -8.513 -15.871 -1.436 1.00 0.00 N ATOM 400 CA LYS A 423 -8.614 -17.324 -1.400 1.00 0.00 C ATOM 401 C LYS A 423 -7.233 -17.964 -1.284 1.00 0.00 C ATOM 402 O LYS A 423 -6.453 -17.954 -2.236 1.00 0.00 O ATOM 403 CB LYS A 423 -9.327 -17.837 -2.653 1.00 0.00 C ATOM 404 CG LYS A 423 -10.379 -18.897 -2.363 1.00 0.00 C ATOM 405 CD LYS A 423 -9.751 -20.269 -2.189 1.00 0.00 C ATOM 406 CE LYS A 423 -9.526 -20.598 -0.722 1.00 0.00 C ATOM 407 NZ LYS A 423 -10.796 -20.570 0.055 1.00 0.00 N ATOM 0 H LYS A 423 -8.486 -15.473 -2.375 1.00 0.00 H new ATOM 0 HA LYS A 423 -9.196 -17.602 -0.521 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -9.800 -16.997 -3.162 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -8.587 -18.249 -3.339 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -10.928 -18.629 -1.460 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -11.102 -18.927 -3.178 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -10.396 -21.025 -2.637 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -8.800 -20.305 -2.721 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -9.070 -21.584 -0.637 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -8.823 -19.884 -0.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -10.710 -21.193 0.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -10.988 -19.598 0.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -11.578 -20.900 -0.546 1.00 0.00 H new ATOM 421 N GLY A 424 -6.941 -18.520 -0.113 1.00 0.00 N ATOM 422 CA GLY A 424 -5.656 -19.157 0.104 1.00 0.00 C ATOM 423 C GLY A 424 -4.702 -18.289 0.903 1.00 0.00 C ATOM 424 O GLY A 424 -3.485 -18.456 0.820 1.00 0.00 O ATOM 0 H GLY A 424 -7.571 -18.541 0.689 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -5.807 -20.101 0.627 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -5.205 -19.394 -0.859 1.00 0.00 H new ATOM 428 N ASN A 425 -5.253 -17.362 1.680 1.00 0.00 N ATOM 429 CA ASN A 425 -4.441 -16.467 2.496 1.00 0.00 C ATOM 430 C ASN A 425 -5.060 -16.284 3.882 1.00 0.00 C ATOM 431 O ASN A 425 -6.225 -15.910 4.002 1.00 0.00 O ATOM 432 CB ASN A 425 -4.293 -15.109 1.807 1.00 0.00 C ATOM 433 CG ASN A 425 -3.186 -15.102 0.771 1.00 0.00 C ATOM 434 OD1 ASN A 425 -2.862 -16.134 0.184 1.00 0.00 O ATOM 435 ND2 ASN A 425 -2.597 -13.934 0.542 1.00 0.00 N ATOM 0 H ASN A 425 -6.258 -17.211 1.762 1.00 0.00 H new ATOM 0 HA ASN A 425 -3.455 -16.916 2.614 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -5.236 -14.843 1.329 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -4.089 -14.345 2.557 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -1.844 -13.868 -0.143 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -2.897 -13.103 1.051 1.00 0.00 H new ATOM 442 N PRO A 426 -4.285 -16.544 4.952 1.00 0.00 N ATOM 443 CA PRO A 426 -4.774 -16.404 6.329 1.00 0.00 C ATOM 444 C PRO A 426 -4.939 -14.945 6.743 1.00 0.00 C ATOM 445 O PRO A 426 -5.643 -14.640 7.705 1.00 0.00 O ATOM 446 CB PRO A 426 -3.680 -17.073 7.161 1.00 0.00 C ATOM 447 CG PRO A 426 -2.442 -16.923 6.346 1.00 0.00 C ATOM 448 CD PRO A 426 -2.880 -16.996 4.909 1.00 0.00 C ATOM 0 HA PRO A 426 -5.761 -16.848 6.457 1.00 0.00 H new ATOM 0 HB2 PRO A 426 -3.574 -16.594 8.134 1.00 0.00 H new ATOM 0 HB3 PRO A 426 -3.908 -18.123 7.345 1.00 0.00 H new ATOM 0 HG2 PRO A 426 -1.949 -15.974 6.556 1.00 0.00 H new ATOM 0 HG3 PRO A 426 -1.726 -17.712 6.576 1.00 0.00 H new ATOM 0 HD2 PRO A 426 -2.272 -16.355 4.271 1.00 0.00 H new ATOM 0 HD3 PRO A 426 -2.796 -18.009 4.515 1.00 0.00 H new ATOM 456 N TYR A 427 -4.287 -14.045 6.012 1.00 0.00 N ATOM 457 CA TYR A 427 -4.363 -12.619 6.308 1.00 0.00 C ATOM 458 C TYR A 427 -5.166 -11.880 5.238 1.00 0.00 C ATOM 459 O TYR A 427 -4.631 -11.517 4.190 1.00 0.00 O ATOM 460 CB TYR A 427 -2.957 -12.022 6.403 1.00 0.00 C ATOM 461 CG TYR A 427 -1.994 -12.866 7.210 1.00 0.00 C ATOM 462 CD1 TYR A 427 -2.207 -13.093 8.564 1.00 0.00 C ATOM 463 CD2 TYR A 427 -0.876 -13.435 6.616 1.00 0.00 C ATOM 464 CE1 TYR A 427 -1.329 -13.864 9.303 1.00 0.00 C ATOM 465 CE2 TYR A 427 0.007 -14.206 7.349 1.00 0.00 C ATOM 466 CZ TYR A 427 -0.226 -14.418 8.692 1.00 0.00 C ATOM 467 OH TYR A 427 0.650 -15.186 9.424 1.00 0.00 O ATOM 0 H TYR A 427 -3.701 -14.279 5.211 1.00 0.00 H new ATOM 0 HA TYR A 427 -4.870 -12.500 7.266 1.00 0.00 H new ATOM 0 HB2 TYR A 427 -2.558 -11.892 5.397 1.00 0.00 H new ATOM 0 HB3 TYR A 427 -3.022 -11.031 6.851 1.00 0.00 H new ATOM 0 HD1 TYR A 427 -3.071 -12.661 9.046 1.00 0.00 H new ATOM 0 HD2 TYR A 427 -0.693 -13.273 5.564 1.00 0.00 H new ATOM 0 HE1 TYR A 427 -1.507 -14.031 10.355 1.00 0.00 H new ATOM 0 HE2 TYR A 427 0.874 -14.640 6.873 1.00 0.00 H new ATOM 0 HH TYR A 427 1.373 -15.502 8.843 1.00 0.00 H new ATOM 477 N PRO A 428 -6.468 -11.646 5.487 1.00 0.00 N ATOM 478 CA PRO A 428 -7.339 -10.947 4.536 1.00 0.00 C ATOM 479 C PRO A 428 -6.737 -9.628 4.062 1.00 0.00 C ATOM 480 O PRO A 428 -5.879 -9.050 4.730 1.00 0.00 O ATOM 481 CB PRO A 428 -8.613 -10.693 5.342 1.00 0.00 C ATOM 482 CG PRO A 428 -8.630 -11.770 6.370 1.00 0.00 C ATOM 483 CD PRO A 428 -7.191 -12.043 6.710 1.00 0.00 C ATOM 0 HA PRO A 428 -7.502 -11.529 3.629 1.00 0.00 H new ATOM 0 HB2 PRO A 428 -8.600 -9.705 5.803 1.00 0.00 H new ATOM 0 HB3 PRO A 428 -9.498 -10.737 4.708 1.00 0.00 H new ATOM 0 HG2 PRO A 428 -9.187 -11.457 7.253 1.00 0.00 H new ATOM 0 HG3 PRO A 428 -9.117 -12.667 5.987 1.00 0.00 H new ATOM 0 HD2 PRO A 428 -6.866 -11.464 7.574 1.00 0.00 H new ATOM 0 HD3 PRO A 428 -7.027 -13.094 6.950 1.00 0.00 H new ATOM 491 N ARG A 429 -7.191 -9.158 2.906 1.00 0.00 N ATOM 492 CA ARG A 429 -6.697 -7.907 2.342 1.00 0.00 C ATOM 493 C ARG A 429 -7.341 -6.708 3.029 1.00 0.00 C ATOM 494 O ARG A 429 -8.506 -6.755 3.422 1.00 0.00 O ATOM 495 CB ARG A 429 -6.972 -7.858 0.838 1.00 0.00 C ATOM 496 CG ARG A 429 -5.801 -8.329 -0.011 1.00 0.00 C ATOM 497 CD ARG A 429 -5.915 -7.828 -1.443 1.00 0.00 C ATOM 498 NE ARG A 429 -5.551 -8.859 -2.412 1.00 0.00 N ATOM 499 CZ ARG A 429 -5.868 -8.805 -3.704 1.00 0.00 C ATOM 500 NH1 ARG A 429 -6.555 -7.776 -4.185 1.00 0.00 N ATOM 501 NH2 ARG A 429 -5.498 -9.784 -4.519 1.00 0.00 N ATOM 0 H ARG A 429 -7.901 -9.624 2.341 1.00 0.00 H new ATOM 0 HA ARG A 429 -5.621 -7.862 2.509 1.00 0.00 H new ATOM 0 HB2 ARG A 429 -7.842 -8.475 0.616 1.00 0.00 H new ATOM 0 HB3 ARG A 429 -7.226 -6.836 0.557 1.00 0.00 H new ATOM 0 HG2 ARG A 429 -4.867 -7.975 0.426 1.00 0.00 H new ATOM 0 HG3 ARG A 429 -5.762 -9.418 -0.007 1.00 0.00 H new ATOM 0 HD2 ARG A 429 -6.936 -7.497 -1.632 1.00 0.00 H new ATOM 0 HD3 ARG A 429 -5.269 -6.960 -1.576 1.00 0.00 H new ATOM 0 HE ARG A 429 -5.024 -9.666 -2.080 1.00 0.00 H new ATOM 0 HH11 ARG A 429 -6.843 -7.020 -3.564 1.00 0.00 H new ATOM 0 HH12 ARG A 429 -6.794 -7.741 -5.176 1.00 0.00 H new ATOM 0 HH21 ARG A 429 -4.971 -10.578 -4.156 1.00 0.00 H new ATOM 0 HH22 ARG A 429 -5.741 -9.743 -5.509 1.00 0.00 H new ATOM 515 N SER A 430 -6.573 -5.631 3.171 1.00 0.00 N ATOM 516 CA SER A 430 -7.068 -4.418 3.810 1.00 0.00 C ATOM 517 C SER A 430 -6.661 -3.182 3.016 1.00 0.00 C ATOM 518 O SER A 430 -5.478 -2.955 2.761 1.00 0.00 O ATOM 519 CB SER A 430 -6.536 -4.316 5.240 1.00 0.00 C ATOM 520 OG SER A 430 -6.338 -5.601 5.804 1.00 0.00 O ATOM 0 H SER A 430 -5.606 -5.575 2.852 1.00 0.00 H new ATOM 0 HA SER A 430 -8.156 -4.470 3.837 1.00 0.00 H new ATOM 0 HB2 SER A 430 -5.595 -3.765 5.243 1.00 0.00 H new ATOM 0 HB3 SER A 430 -7.238 -3.751 5.853 1.00 0.00 H new ATOM 0 HG SER A 430 -5.996 -5.508 6.718 1.00 0.00 H new ATOM 526 N TYR A 431 -7.650 -2.383 2.624 1.00 0.00 N ATOM 527 CA TYR A 431 -7.395 -1.171 1.856 1.00 0.00 C ATOM 528 C TYR A 431 -7.580 0.072 2.720 1.00 0.00 C ATOM 529 O TYR A 431 -8.504 0.146 3.530 1.00 0.00 O ATOM 530 CB TYR A 431 -8.324 -1.105 0.642 1.00 0.00 C ATOM 531 CG TYR A 431 -8.292 -2.351 -0.214 1.00 0.00 C ATOM 532 CD1 TYR A 431 -7.098 -2.825 -0.740 1.00 0.00 C ATOM 533 CD2 TYR A 431 -9.458 -3.051 -0.496 1.00 0.00 C ATOM 534 CE1 TYR A 431 -7.066 -3.965 -1.523 1.00 0.00 C ATOM 535 CE2 TYR A 431 -9.434 -4.191 -1.278 1.00 0.00 C ATOM 536 CZ TYR A 431 -8.236 -4.643 -1.789 1.00 0.00 C ATOM 537 OH TYR A 431 -8.209 -5.776 -2.567 1.00 0.00 O ATOM 0 H TYR A 431 -8.635 -2.554 2.826 1.00 0.00 H new ATOM 0 HA TYR A 431 -6.361 -1.201 1.513 1.00 0.00 H new ATOM 0 HB2 TYR A 431 -9.345 -0.936 0.985 1.00 0.00 H new ATOM 0 HB3 TYR A 431 -8.047 -0.247 0.030 1.00 0.00 H new ATOM 0 HD1 TYR A 431 -6.179 -2.295 -0.535 1.00 0.00 H new ATOM 0 HD2 TYR A 431 -10.398 -2.699 -0.098 1.00 0.00 H new ATOM 0 HE1 TYR A 431 -6.129 -4.322 -1.924 1.00 0.00 H new ATOM 0 HE2 TYR A 431 -10.349 -4.725 -1.487 1.00 0.00 H new ATOM 0 HH TYR A 431 -8.771 -5.643 -3.359 1.00 0.00 H new ATOM 547 N TYR A 432 -6.696 1.048 2.540 1.00 0.00 N ATOM 548 CA TYR A 432 -6.761 2.291 3.301 1.00 0.00 C ATOM 549 C TYR A 432 -6.708 3.497 2.371 1.00 0.00 C ATOM 550 O TYR A 432 -6.664 3.350 1.150 1.00 0.00 O ATOM 551 CB TYR A 432 -5.611 2.357 4.308 1.00 0.00 C ATOM 552 CG TYR A 432 -5.725 1.344 5.423 1.00 0.00 C ATOM 553 CD1 TYR A 432 -5.377 0.015 5.218 1.00 0.00 C ATOM 554 CD2 TYR A 432 -6.180 1.715 6.684 1.00 0.00 C ATOM 555 CE1 TYR A 432 -5.480 -0.915 6.235 1.00 0.00 C ATOM 556 CE2 TYR A 432 -6.284 0.792 7.706 1.00 0.00 C ATOM 557 CZ TYR A 432 -5.933 -0.522 7.476 1.00 0.00 C ATOM 558 OH TYR A 432 -6.036 -1.444 8.492 1.00 0.00 O ATOM 0 H TYR A 432 -5.925 1.002 1.873 1.00 0.00 H new ATOM 0 HA TYR A 432 -7.708 2.311 3.841 1.00 0.00 H new ATOM 0 HB2 TYR A 432 -4.669 2.202 3.782 1.00 0.00 H new ATOM 0 HB3 TYR A 432 -5.574 3.357 4.739 1.00 0.00 H new ATOM 0 HD1 TYR A 432 -5.020 -0.297 4.248 1.00 0.00 H new ATOM 0 HD2 TYR A 432 -6.457 2.743 6.867 1.00 0.00 H new ATOM 0 HE1 TYR A 432 -5.207 -1.945 6.058 1.00 0.00 H new ATOM 0 HE2 TYR A 432 -6.638 1.097 8.680 1.00 0.00 H new ATOM 0 HH TYR A 432 -6.370 -1.003 9.301 1.00 0.00 H new ATOM 568 N LYS A 433 -6.714 4.691 2.955 1.00 0.00 N ATOM 569 CA LYS A 433 -6.667 5.921 2.174 1.00 0.00 C ATOM 570 C LYS A 433 -6.322 7.116 3.056 1.00 0.00 C ATOM 571 O LYS A 433 -6.987 7.374 4.059 1.00 0.00 O ATOM 572 CB LYS A 433 -8.008 6.157 1.479 1.00 0.00 C ATOM 573 CG LYS A 433 -9.188 6.218 2.435 1.00 0.00 C ATOM 574 CD LYS A 433 -10.484 6.529 1.703 1.00 0.00 C ATOM 575 CE LYS A 433 -11.468 7.264 2.600 1.00 0.00 C ATOM 576 NZ LYS A 433 -12.809 7.390 1.966 1.00 0.00 N ATOM 0 H LYS A 433 -6.751 4.832 3.964 1.00 0.00 H new ATOM 0 HA LYS A 433 -5.887 5.813 1.421 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -7.957 7.090 0.918 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -8.178 5.359 0.756 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -9.284 5.266 2.957 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -9.005 6.980 3.192 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -10.270 7.135 0.823 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -10.935 5.602 1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -11.563 6.733 3.547 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -11.080 8.257 2.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -13.451 7.897 2.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -12.723 7.919 1.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -13.191 6.443 1.771 1.00 0.00 H new ATOM 590 N CYS A 434 -5.280 7.847 2.673 1.00 0.00 N ATOM 591 CA CYS A 434 -4.850 9.018 3.426 1.00 0.00 C ATOM 592 C CYS A 434 -5.923 10.102 3.397 1.00 0.00 C ATOM 593 O CYS A 434 -6.010 10.877 2.444 1.00 0.00 O ATOM 594 CB CYS A 434 -3.538 9.564 2.860 1.00 0.00 C ATOM 595 SG CYS A 434 -2.649 10.663 3.986 1.00 0.00 S ATOM 0 H CYS A 434 -4.718 7.648 1.845 1.00 0.00 H new ATOM 0 HA CYS A 434 -4.689 8.716 4.461 1.00 0.00 H new ATOM 0 HB2 CYS A 434 -2.890 8.727 2.600 1.00 0.00 H new ATOM 0 HB3 CYS A 434 -3.749 10.102 1.936 1.00 0.00 H new ATOM 0 HG CYS A 434 -3.299 11.783 4.103 1.00 0.00 H new ATOM 600 N THR A 435 -6.744 10.142 4.442 1.00 0.00 N ATOM 601 CA THR A 435 -7.817 11.124 4.536 1.00 0.00 C ATOM 602 C THR A 435 -7.376 12.356 5.321 1.00 0.00 C ATOM 603 O THR A 435 -7.826 12.585 6.445 1.00 0.00 O ATOM 604 CB THR A 435 -9.069 10.522 5.201 1.00 0.00 C ATOM 605 OG1 THR A 435 -10.106 11.507 5.275 1.00 0.00 O ATOM 606 CG2 THR A 435 -8.750 10.012 6.599 1.00 0.00 C ATOM 0 H THR A 435 -6.686 9.505 5.236 1.00 0.00 H new ATOM 0 HA THR A 435 -8.062 11.421 3.516 1.00 0.00 H new ATOM 0 HB THR A 435 -9.406 9.682 4.593 1.00 0.00 H new ATOM 0 HG1 THR A 435 -10.899 11.116 5.698 1.00 0.00 H new ATOM 0 HG21 THR A 435 -9.650 9.592 7.047 1.00 0.00 H new ATOM 0 HG22 THR A 435 -7.981 9.242 6.539 1.00 0.00 H new ATOM 0 HG23 THR A 435 -8.390 10.837 7.214 1.00 0.00 H new ATOM 614 N THR A 436 -6.497 13.149 4.721 1.00 0.00 N ATOM 615 CA THR A 436 -5.999 14.361 5.361 1.00 0.00 C ATOM 616 C THR A 436 -6.728 15.594 4.825 1.00 0.00 C ATOM 617 O THR A 436 -7.425 15.516 3.813 1.00 0.00 O ATOM 618 CB THR A 436 -4.480 14.528 5.143 1.00 0.00 C ATOM 619 OG1 THR A 436 -3.955 13.386 4.457 1.00 0.00 O ATOM 620 CG2 THR A 436 -3.754 14.700 6.470 1.00 0.00 C ATOM 0 H THR A 436 -6.114 12.975 3.792 1.00 0.00 H new ATOM 0 HA THR A 436 -6.190 14.265 6.430 1.00 0.00 H new ATOM 0 HB THR A 436 -4.321 15.423 4.541 1.00 0.00 H new ATOM 0 HG1 THR A 436 -3.005 13.529 4.264 1.00 0.00 H new ATOM 0 HG21 THR A 436 -2.686 14.816 6.288 1.00 0.00 H new ATOM 0 HG22 THR A 436 -4.133 15.586 6.980 1.00 0.00 H new ATOM 0 HG23 THR A 436 -3.923 13.822 7.094 1.00 0.00 H new ATOM 628 N PRO A 437 -6.581 16.748 5.498 1.00 0.00 N ATOM 629 CA PRO A 437 -7.235 17.993 5.076 1.00 0.00 C ATOM 630 C PRO A 437 -6.929 18.345 3.625 1.00 0.00 C ATOM 631 O PRO A 437 -5.969 19.058 3.338 1.00 0.00 O ATOM 632 CB PRO A 437 -6.645 19.044 6.021 1.00 0.00 C ATOM 633 CG PRO A 437 -6.220 18.276 7.224 1.00 0.00 C ATOM 634 CD PRO A 437 -5.771 16.934 6.716 1.00 0.00 C ATOM 0 HA PRO A 437 -8.321 17.920 5.126 1.00 0.00 H new ATOM 0 HB2 PRO A 437 -5.801 19.560 5.562 1.00 0.00 H new ATOM 0 HB3 PRO A 437 -7.383 19.805 6.277 1.00 0.00 H new ATOM 0 HG2 PRO A 437 -5.412 18.786 7.748 1.00 0.00 H new ATOM 0 HG3 PRO A 437 -7.042 18.171 7.932 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -4.704 16.923 6.496 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -5.954 16.145 7.446 1.00 0.00 H new ATOM 642 N GLY A 438 -7.754 17.838 2.713 1.00 0.00 N ATOM 643 CA GLY A 438 -7.557 18.111 1.302 1.00 0.00 C ATOM 644 C GLY A 438 -6.872 16.967 0.578 1.00 0.00 C ATOM 645 O GLY A 438 -7.022 16.813 -0.634 1.00 0.00 O ATOM 0 H GLY A 438 -8.555 17.243 2.927 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -8.522 18.306 0.835 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -6.960 19.016 1.190 1.00 0.00 H new ATOM 649 N CYS A 439 -6.117 16.164 1.321 1.00 0.00 N ATOM 650 CA CYS A 439 -5.404 15.031 0.743 1.00 0.00 C ATOM 651 C CYS A 439 -6.323 13.821 0.602 1.00 0.00 C ATOM 652 O CYS A 439 -6.988 13.418 1.556 1.00 0.00 O ATOM 653 CB CYS A 439 -4.196 14.670 1.609 1.00 0.00 C ATOM 654 SG CYS A 439 -3.218 13.286 0.978 1.00 0.00 S ATOM 0 H CYS A 439 -5.983 16.277 2.326 1.00 0.00 H new ATOM 0 HA CYS A 439 -5.060 15.319 -0.250 1.00 0.00 H new ATOM 0 HB2 CYS A 439 -3.552 15.545 1.697 1.00 0.00 H new ATOM 0 HB3 CYS A 439 -4.543 14.427 2.613 1.00 0.00 H new ATOM 0 HG CYS A 439 -3.038 12.414 1.925 1.00 0.00 H new ATOM 659 N GLY A 440 -6.353 13.247 -0.597 1.00 0.00 N ATOM 660 CA GLY A 440 -7.189 12.087 -0.846 1.00 0.00 C ATOM 661 C GLY A 440 -6.426 10.964 -1.520 1.00 0.00 C ATOM 662 O GLY A 440 -6.738 10.580 -2.648 1.00 0.00 O ATOM 0 H GLY A 440 -5.812 13.565 -1.401 1.00 0.00 H new ATOM 0 HA2 GLY A 440 -7.601 11.729 0.098 1.00 0.00 H new ATOM 0 HA3 GLY A 440 -8.033 12.377 -1.472 1.00 0.00 H new ATOM 666 N VAL A 441 -5.416 10.442 -0.831 1.00 0.00 N ATOM 667 CA VAL A 441 -4.598 9.361 -1.371 1.00 0.00 C ATOM 668 C VAL A 441 -5.169 7.996 -0.997 1.00 0.00 C ATOM 669 O VAL A 441 -5.924 7.868 -0.033 1.00 0.00 O ATOM 670 CB VAL A 441 -3.144 9.453 -0.868 1.00 0.00 C ATOM 671 CG1 VAL A 441 -2.273 8.410 -1.552 1.00 0.00 C ATOM 672 CG2 VAL A 441 -2.588 10.850 -1.093 1.00 0.00 C ATOM 0 H VAL A 441 -5.144 10.750 0.103 1.00 0.00 H new ATOM 0 HA VAL A 441 -4.608 9.469 -2.456 1.00 0.00 H new ATOM 0 HB VAL A 441 -3.138 9.252 0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 441 -1.250 8.491 -1.183 1.00 0.00 H new ATOM 0 HG12 VAL A 441 -2.659 7.414 -1.334 1.00 0.00 H new ATOM 0 HG13 VAL A 441 -2.285 8.576 -2.629 1.00 0.00 H new ATOM 0 HG21 VAL A 441 -1.561 10.895 -0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 441 -2.609 11.083 -2.158 1.00 0.00 H new ATOM 0 HG23 VAL A 441 -3.195 11.575 -0.551 1.00 0.00 H new ATOM 682 N ARG A 442 -4.799 6.977 -1.768 1.00 0.00 N ATOM 683 CA ARG A 442 -5.269 5.619 -1.521 1.00 0.00 C ATOM 684 C ARG A 442 -4.106 4.630 -1.549 1.00 0.00 C ATOM 685 O ARG A 442 -3.195 4.753 -2.366 1.00 0.00 O ATOM 686 CB ARG A 442 -6.316 5.223 -2.563 1.00 0.00 C ATOM 687 CG ARG A 442 -7.675 5.867 -2.335 1.00 0.00 C ATOM 688 CD ARG A 442 -8.710 4.847 -1.890 1.00 0.00 C ATOM 689 NE ARG A 442 -10.025 5.452 -1.691 1.00 0.00 N ATOM 690 CZ ARG A 442 -10.866 5.740 -2.683 1.00 0.00 C ATOM 691 NH1 ARG A 442 -10.534 5.478 -3.942 1.00 0.00 N ATOM 692 NH2 ARG A 442 -12.041 6.290 -2.415 1.00 0.00 N ATOM 0 H ARG A 442 -4.175 7.067 -2.569 1.00 0.00 H new ATOM 0 HA ARG A 442 -5.724 5.591 -0.531 1.00 0.00 H new ATOM 0 HB2 ARG A 442 -5.954 5.499 -3.553 1.00 0.00 H new ATOM 0 HB3 ARG A 442 -6.431 4.139 -2.557 1.00 0.00 H new ATOM 0 HG2 ARG A 442 -7.586 6.649 -1.581 1.00 0.00 H new ATOM 0 HG3 ARG A 442 -8.009 6.348 -3.254 1.00 0.00 H new ATOM 0 HD2 ARG A 442 -8.784 4.056 -2.637 1.00 0.00 H new ATOM 0 HD3 ARG A 442 -8.382 4.379 -0.962 1.00 0.00 H new ATOM 0 HE ARG A 442 -10.316 5.666 -0.737 1.00 0.00 H new ATOM 0 HH11 ARG A 442 -9.631 5.054 -4.154 1.00 0.00 H new ATOM 0 HH12 ARG A 442 -11.182 5.701 -4.697 1.00 0.00 H new ATOM 0 HH21 ARG A 442 -12.301 6.493 -1.450 1.00 0.00 H new ATOM 0 HH22 ARG A 442 -12.686 6.511 -3.174 1.00 0.00 H new ATOM 706 N LYS A 443 -4.147 3.651 -0.650 1.00 0.00 N ATOM 707 CA LYS A 443 -3.095 2.643 -0.574 1.00 0.00 C ATOM 708 C LYS A 443 -3.687 1.249 -0.389 1.00 0.00 C ATOM 709 O LYS A 443 -4.843 1.101 0.006 1.00 0.00 O ATOM 710 CB LYS A 443 -2.137 2.962 0.576 1.00 0.00 C ATOM 711 CG LYS A 443 -2.768 2.833 1.953 1.00 0.00 C ATOM 712 CD LYS A 443 -1.728 2.944 3.055 1.00 0.00 C ATOM 713 CE LYS A 443 -2.359 2.823 4.433 1.00 0.00 C ATOM 714 NZ LYS A 443 -1.349 2.950 5.520 1.00 0.00 N ATOM 0 H LYS A 443 -4.895 3.534 0.034 1.00 0.00 H new ATOM 0 HA LYS A 443 -2.542 2.659 -1.513 1.00 0.00 H new ATOM 0 HB2 LYS A 443 -1.277 2.294 0.516 1.00 0.00 H new ATOM 0 HB3 LYS A 443 -1.761 3.978 0.452 1.00 0.00 H new ATOM 0 HG2 LYS A 443 -3.522 3.610 2.083 1.00 0.00 H new ATOM 0 HG3 LYS A 443 -3.281 1.875 2.031 1.00 0.00 H new ATOM 0 HD2 LYS A 443 -0.977 2.164 2.928 1.00 0.00 H new ATOM 0 HD3 LYS A 443 -1.211 3.900 2.973 1.00 0.00 H new ATOM 0 HE2 LYS A 443 -3.120 3.594 4.553 1.00 0.00 H new ATOM 0 HE3 LYS A 443 -2.864 1.861 4.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 -1.553 2.255 6.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 -0.399 2.775 5.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 -1.389 3.909 5.921 1.00 0.00 H new ATOM 728 N HIS A 444 -2.886 0.228 -0.678 1.00 0.00 N ATOM 729 CA HIS A 444 -3.328 -1.154 -0.543 1.00 0.00 C ATOM 730 C HIS A 444 -2.347 -1.958 0.307 1.00 0.00 C ATOM 731 O HIS A 444 -1.175 -2.095 -0.046 1.00 0.00 O ATOM 732 CB HIS A 444 -3.477 -1.803 -1.920 1.00 0.00 C ATOM 733 CG HIS A 444 -4.185 -0.938 -2.917 1.00 0.00 C ATOM 734 ND1 HIS A 444 -3.612 0.179 -3.484 1.00 0.00 N ATOM 735 CD2 HIS A 444 -5.426 -1.033 -3.448 1.00 0.00 C ATOM 736 CE1 HIS A 444 -4.471 0.736 -4.321 1.00 0.00 C ATOM 737 NE2 HIS A 444 -5.579 0.018 -4.316 1.00 0.00 N ATOM 0 H HIS A 444 -1.926 0.333 -1.008 1.00 0.00 H new ATOM 0 HA HIS A 444 -4.297 -1.151 -0.045 1.00 0.00 H new ATOM 0 HB2 HIS A 444 -2.488 -2.051 -2.304 1.00 0.00 H new ATOM 0 HB3 HIS A 444 -4.022 -2.741 -1.813 1.00 0.00 H new ATOM 0 HD2 HIS A 444 -6.160 -1.795 -3.229 1.00 0.00 H new ATOM 0 HE1 HIS A 444 -4.296 1.626 -4.908 1.00 0.00 H new ATOM 0 HE2 HIS A 444 -6.414 0.213 -4.868 1.00 0.00 H new ATOM 746 N VAL A 445 -2.833 -2.487 1.424 1.00 0.00 N ATOM 747 CA VAL A 445 -1.997 -3.276 2.322 1.00 0.00 C ATOM 748 C VAL A 445 -2.246 -4.768 2.134 1.00 0.00 C ATOM 749 O VAL A 445 -3.318 -5.276 2.466 1.00 0.00 O ATOM 750 CB VAL A 445 -2.251 -2.906 3.795 1.00 0.00 C ATOM 751 CG1 VAL A 445 -1.241 -3.593 4.700 1.00 0.00 C ATOM 752 CG2 VAL A 445 -2.206 -1.398 3.982 1.00 0.00 C ATOM 0 H VAL A 445 -3.801 -2.384 1.730 1.00 0.00 H new ATOM 0 HA VAL A 445 -0.961 -3.049 2.072 1.00 0.00 H new ATOM 0 HB VAL A 445 -3.247 -3.253 4.071 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -1.436 -3.319 5.737 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -1.327 -4.674 4.587 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -0.234 -3.279 4.426 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -2.388 -1.156 5.029 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -1.225 -1.024 3.688 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -2.973 -0.932 3.363 1.00 0.00 H new ATOM 762 N GLU A 446 -1.248 -5.467 1.601 1.00 0.00 N ATOM 763 CA GLU A 446 -1.358 -6.902 1.369 1.00 0.00 C ATOM 764 C GLU A 446 -0.196 -7.648 2.019 1.00 0.00 C ATOM 765 O GLU A 446 0.908 -7.115 2.137 1.00 0.00 O ATOM 766 CB GLU A 446 -1.391 -7.197 -0.131 1.00 0.00 C ATOM 767 CG GLU A 446 -2.681 -6.760 -0.807 1.00 0.00 C ATOM 768 CD GLU A 446 -2.446 -5.758 -1.922 1.00 0.00 C ATOM 769 OE1 GLU A 446 -1.441 -5.020 -1.854 1.00 0.00 O ATOM 770 OE2 GLU A 446 -3.267 -5.713 -2.862 1.00 0.00 O ATOM 0 H GLU A 446 -0.354 -5.062 1.322 1.00 0.00 H new ATOM 0 HA GLU A 446 -2.288 -7.247 1.821 1.00 0.00 H new ATOM 0 HB2 GLU A 446 -0.551 -6.695 -0.611 1.00 0.00 H new ATOM 0 HB3 GLU A 446 -1.253 -8.267 -0.286 1.00 0.00 H new ATOM 0 HG2 GLU A 446 -3.189 -7.635 -1.212 1.00 0.00 H new ATOM 0 HG3 GLU A 446 -3.346 -6.321 -0.063 1.00 0.00 H new ATOM 777 N ARG A 447 -0.453 -8.882 2.439 1.00 0.00 N ATOM 778 CA ARG A 447 0.572 -9.701 3.076 1.00 0.00 C ATOM 779 C ARG A 447 0.755 -11.019 2.331 1.00 0.00 C ATOM 780 O ARG A 447 -0.094 -11.908 2.403 1.00 0.00 O ATOM 781 CB ARG A 447 0.202 -9.972 4.536 1.00 0.00 C ATOM 782 CG ARG A 447 0.874 -9.029 5.519 1.00 0.00 C ATOM 783 CD ARG A 447 0.160 -9.020 6.861 1.00 0.00 C ATOM 784 NE ARG A 447 0.937 -8.335 7.891 1.00 0.00 N ATOM 785 CZ ARG A 447 1.110 -7.015 7.933 1.00 0.00 C ATOM 786 NH1 ARG A 447 0.564 -6.236 7.008 1.00 0.00 N ATOM 787 NH2 ARG A 447 1.830 -6.473 8.906 1.00 0.00 N ATOM 0 H ARG A 447 -1.362 -9.337 2.350 1.00 0.00 H new ATOM 0 HA ARG A 447 1.514 -9.153 3.043 1.00 0.00 H new ATOM 0 HB2 ARG A 447 -0.879 -9.891 4.649 1.00 0.00 H new ATOM 0 HB3 ARG A 447 0.473 -10.998 4.786 1.00 0.00 H new ATOM 0 HG2 ARG A 447 1.912 -9.329 5.660 1.00 0.00 H new ATOM 0 HG3 ARG A 447 0.887 -8.020 5.106 1.00 0.00 H new ATOM 0 HD2 ARG A 447 -0.808 -8.532 6.753 1.00 0.00 H new ATOM 0 HD3 ARG A 447 -0.034 -10.046 7.175 1.00 0.00 H new ATOM 0 HE ARG A 447 1.372 -8.900 8.620 1.00 0.00 H new ATOM 0 HH11 ARG A 447 0.008 -6.647 6.259 1.00 0.00 H new ATOM 0 HH12 ARG A 447 0.701 -5.226 7.046 1.00 0.00 H new ATOM 0 HH21 ARG A 447 2.250 -7.067 9.621 1.00 0.00 H new ATOM 0 HH22 ARG A 447 1.963 -5.462 8.939 1.00 0.00 H new ATOM 801 N ALA A 448 1.868 -11.140 1.615 1.00 0.00 N ATOM 802 CA ALA A 448 2.162 -12.349 0.856 1.00 0.00 C ATOM 803 C ALA A 448 2.247 -13.564 1.773 1.00 0.00 C ATOM 804 O ALA A 448 3.101 -13.630 2.657 1.00 0.00 O ATOM 805 CB ALA A 448 3.459 -12.181 0.077 1.00 0.00 C ATOM 0 H ALA A 448 2.582 -10.415 1.545 1.00 0.00 H new ATOM 0 HA ALA A 448 1.347 -12.514 0.151 1.00 0.00 H new ATOM 0 HB1 ALA A 448 3.666 -13.092 -0.485 1.00 0.00 H new ATOM 0 HB2 ALA A 448 3.363 -11.342 -0.613 1.00 0.00 H new ATOM 0 HB3 ALA A 448 4.278 -11.989 0.770 1.00 0.00 H new ATOM 811 N ALA A 449 1.352 -14.524 1.555 1.00 0.00 N ATOM 812 CA ALA A 449 1.323 -15.740 2.362 1.00 0.00 C ATOM 813 C ALA A 449 2.354 -16.750 1.872 1.00 0.00 C ATOM 814 O ALA A 449 3.134 -17.286 2.658 1.00 0.00 O ATOM 815 CB ALA A 449 -0.070 -16.351 2.340 1.00 0.00 C ATOM 0 H ALA A 449 0.638 -14.483 0.827 1.00 0.00 H new ATOM 0 HA ALA A 449 1.576 -15.473 3.388 1.00 0.00 H new ATOM 0 HB1 ALA A 449 -0.079 -17.257 2.945 1.00 0.00 H new ATOM 0 HB2 ALA A 449 -0.787 -15.637 2.745 1.00 0.00 H new ATOM 0 HB3 ALA A 449 -0.343 -16.597 1.314 1.00 0.00 H new ATOM 821 N THR A 450 2.354 -17.006 0.566 1.00 0.00 N ATOM 822 CA THR A 450 3.292 -17.951 -0.029 1.00 0.00 C ATOM 823 C THR A 450 4.733 -17.583 0.311 1.00 0.00 C ATOM 824 O THR A 450 5.587 -18.453 0.474 1.00 0.00 O ATOM 825 CB THR A 450 3.136 -18.009 -1.560 1.00 0.00 C ATOM 826 OG1 THR A 450 2.972 -16.686 -2.086 1.00 0.00 O ATOM 827 CG2 THR A 450 1.944 -18.867 -1.951 1.00 0.00 C ATOM 0 H THR A 450 1.714 -16.572 -0.099 1.00 0.00 H new ATOM 0 HA THR A 450 3.062 -18.931 0.389 1.00 0.00 H new ATOM 0 HB THR A 450 4.037 -18.457 -1.978 1.00 0.00 H new ATOM 0 HG1 THR A 450 2.875 -16.731 -3.060 1.00 0.00 H new ATOM 0 HG21 THR A 450 1.855 -18.892 -3.037 1.00 0.00 H new ATOM 0 HG22 THR A 450 2.086 -19.880 -1.575 1.00 0.00 H new ATOM 0 HG23 THR A 450 1.035 -18.445 -1.522 1.00 0.00 H new ATOM 835 N ASP A 451 4.991 -16.284 0.420 1.00 0.00 N ATOM 836 CA ASP A 451 6.326 -15.793 0.744 1.00 0.00 C ATOM 837 C ASP A 451 6.559 -15.830 2.254 1.00 0.00 C ATOM 838 O ASP A 451 5.608 -15.847 3.034 1.00 0.00 O ATOM 839 CB ASP A 451 6.505 -14.367 0.216 1.00 0.00 C ATOM 840 CG ASP A 451 7.586 -14.272 -0.842 1.00 0.00 C ATOM 841 OD1 ASP A 451 7.859 -15.296 -1.505 1.00 0.00 O ATOM 842 OD2 ASP A 451 8.160 -13.176 -1.009 1.00 0.00 O ATOM 0 H ASP A 451 4.293 -15.552 0.289 1.00 0.00 H new ATOM 0 HA ASP A 451 7.060 -16.441 0.265 1.00 0.00 H new ATOM 0 HB2 ASP A 451 5.561 -14.016 -0.201 1.00 0.00 H new ATOM 0 HB3 ASP A 451 6.753 -13.704 1.045 1.00 0.00 H new ATOM 847 N PRO A 452 7.834 -15.845 2.686 1.00 0.00 N ATOM 848 CA PRO A 452 8.183 -15.880 4.112 1.00 0.00 C ATOM 849 C PRO A 452 7.791 -14.596 4.834 1.00 0.00 C ATOM 850 O PRO A 452 8.647 -13.850 5.310 1.00 0.00 O ATOM 851 CB PRO A 452 9.705 -16.047 4.104 1.00 0.00 C ATOM 852 CG PRO A 452 10.137 -15.502 2.788 1.00 0.00 C ATOM 853 CD PRO A 452 9.030 -15.829 1.825 1.00 0.00 C ATOM 0 HA PRO A 452 7.658 -16.676 4.640 1.00 0.00 H new ATOM 0 HB2 PRO A 452 10.167 -15.504 4.929 1.00 0.00 H new ATOM 0 HB3 PRO A 452 9.989 -17.094 4.212 1.00 0.00 H new ATOM 0 HG2 PRO A 452 10.300 -14.426 2.845 1.00 0.00 H new ATOM 0 HG3 PRO A 452 11.078 -15.951 2.469 1.00 0.00 H new ATOM 0 HD2 PRO A 452 8.949 -15.082 1.035 1.00 0.00 H new ATOM 0 HD3 PRO A 452 9.190 -16.791 1.338 1.00 0.00 H new ATOM 861 N LYS A 453 6.488 -14.344 4.913 1.00 0.00 N ATOM 862 CA LYS A 453 5.974 -13.150 5.575 1.00 0.00 C ATOM 863 C LYS A 453 6.407 -11.890 4.834 1.00 0.00 C ATOM 864 O LYS A 453 7.340 -11.203 5.250 1.00 0.00 O ATOM 865 CB LYS A 453 6.456 -13.096 7.027 1.00 0.00 C ATOM 866 CG LYS A 453 5.473 -12.417 7.968 1.00 0.00 C ATOM 867 CD LYS A 453 6.188 -11.745 9.129 1.00 0.00 C ATOM 868 CE LYS A 453 6.114 -12.588 10.392 1.00 0.00 C ATOM 869 NZ LYS A 453 4.739 -12.614 10.963 1.00 0.00 N ATOM 0 H LYS A 453 5.767 -14.953 4.526 1.00 0.00 H new ATOM 0 HA LYS A 453 4.885 -13.200 5.565 1.00 0.00 H new ATOM 0 HB2 LYS A 453 6.641 -14.111 7.378 1.00 0.00 H new ATOM 0 HB3 LYS A 453 7.408 -12.567 7.066 1.00 0.00 H new ATOM 0 HG2 LYS A 453 4.894 -11.676 7.418 1.00 0.00 H new ATOM 0 HG3 LYS A 453 4.767 -13.153 8.351 1.00 0.00 H new ATOM 0 HD2 LYS A 453 7.232 -11.574 8.865 1.00 0.00 H new ATOM 0 HD3 LYS A 453 5.742 -10.768 9.316 1.00 0.00 H new ATOM 0 HE2 LYS A 453 6.433 -13.606 10.168 1.00 0.00 H new ATOM 0 HE3 LYS A 453 6.808 -12.192 11.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 4.784 -12.894 11.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 4.313 -11.668 10.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 4.158 -13.298 10.438 1.00 0.00 H new ATOM 883 N ALA A 454 5.721 -11.590 3.735 1.00 0.00 N ATOM 884 CA ALA A 454 6.036 -10.411 2.937 1.00 0.00 C ATOM 885 C ALA A 454 4.962 -9.339 3.093 1.00 0.00 C ATOM 886 O ALA A 454 3.767 -9.630 3.033 1.00 0.00 O ATOM 887 CB ALA A 454 6.199 -10.794 1.473 1.00 0.00 C ATOM 0 H ALA A 454 4.945 -12.147 3.378 1.00 0.00 H new ATOM 0 HA ALA A 454 6.977 -9.997 3.299 1.00 0.00 H new ATOM 0 HB1 ALA A 454 6.434 -9.905 0.888 1.00 0.00 H new ATOM 0 HB2 ALA A 454 7.008 -11.518 1.374 1.00 0.00 H new ATOM 0 HB3 ALA A 454 5.272 -11.235 1.107 1.00 0.00 H new ATOM 893 N VAL A 455 5.396 -8.099 3.293 1.00 0.00 N ATOM 894 CA VAL A 455 4.474 -6.983 3.458 1.00 0.00 C ATOM 895 C VAL A 455 4.534 -6.041 2.261 1.00 0.00 C ATOM 896 O VAL A 455 5.377 -5.146 2.204 1.00 0.00 O ATOM 897 CB VAL A 455 4.778 -6.184 4.740 1.00 0.00 C ATOM 898 CG1 VAL A 455 3.692 -5.153 5.000 1.00 0.00 C ATOM 899 CG2 VAL A 455 4.929 -7.121 5.928 1.00 0.00 C ATOM 0 H VAL A 455 6.382 -7.842 3.345 1.00 0.00 H new ATOM 0 HA VAL A 455 3.474 -7.409 3.534 1.00 0.00 H new ATOM 0 HB VAL A 455 5.721 -5.655 4.600 1.00 0.00 H new ATOM 0 HG11 VAL A 455 3.926 -4.600 5.910 1.00 0.00 H new ATOM 0 HG12 VAL A 455 3.638 -4.462 4.159 1.00 0.00 H new ATOM 0 HG13 VAL A 455 2.733 -5.657 5.118 1.00 0.00 H new ATOM 0 HG21 VAL A 455 5.143 -6.540 6.825 1.00 0.00 H new ATOM 0 HG22 VAL A 455 4.004 -7.680 6.070 1.00 0.00 H new ATOM 0 HG23 VAL A 455 5.748 -7.816 5.742 1.00 0.00 H new ATOM 909 N VAL A 456 3.633 -6.249 1.304 1.00 0.00 N ATOM 910 CA VAL A 456 3.585 -5.417 0.108 1.00 0.00 C ATOM 911 C VAL A 456 2.546 -4.309 0.248 1.00 0.00 C ATOM 912 O VAL A 456 1.377 -4.573 0.531 1.00 0.00 O ATOM 913 CB VAL A 456 3.267 -6.256 -1.146 1.00 0.00 C ATOM 914 CG1 VAL A 456 1.896 -6.906 -1.026 1.00 0.00 C ATOM 915 CG2 VAL A 456 3.352 -5.397 -2.400 1.00 0.00 C ATOM 0 H VAL A 456 2.928 -6.986 1.335 1.00 0.00 H new ATOM 0 HA VAL A 456 4.572 -4.968 -0.006 1.00 0.00 H new ATOM 0 HB VAL A 456 4.010 -7.049 -1.226 1.00 0.00 H new ATOM 0 HG11 VAL A 456 1.692 -7.493 -1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 456 1.878 -7.558 -0.153 1.00 0.00 H new ATOM 0 HG13 VAL A 456 1.135 -6.133 -0.918 1.00 0.00 H new ATOM 0 HG21 VAL A 456 3.124 -6.006 -3.275 1.00 0.00 H new ATOM 0 HG22 VAL A 456 2.634 -4.580 -2.331 1.00 0.00 H new ATOM 0 HG23 VAL A 456 4.358 -4.989 -2.494 1.00 0.00 H new ATOM 925 N THR A 457 2.980 -3.069 0.048 1.00 0.00 N ATOM 926 CA THR A 457 2.087 -1.921 0.153 1.00 0.00 C ATOM 927 C THR A 457 2.241 -0.996 -1.050 1.00 0.00 C ATOM 928 O THR A 457 3.336 -0.515 -1.341 1.00 0.00 O ATOM 929 CB THR A 457 2.350 -1.118 1.440 1.00 0.00 C ATOM 930 OG1 THR A 457 2.636 -2.009 2.524 1.00 0.00 O ATOM 931 CG2 THR A 457 1.151 -0.253 1.792 1.00 0.00 C ATOM 0 H THR A 457 3.944 -2.834 -0.188 1.00 0.00 H new ATOM 0 HA THR A 457 1.070 -2.313 0.181 1.00 0.00 H new ATOM 0 HB THR A 457 3.209 -0.469 1.268 1.00 0.00 H new ATOM 0 HG1 THR A 457 2.804 -1.490 3.338 1.00 0.00 H new ATOM 0 HG21 THR A 457 1.360 0.305 2.705 1.00 0.00 H new ATOM 0 HG22 THR A 457 0.954 0.444 0.978 1.00 0.00 H new ATOM 0 HG23 THR A 457 0.278 -0.887 1.946 1.00 0.00 H new ATOM 939 N THR A 458 1.135 -0.750 -1.746 1.00 0.00 N ATOM 940 CA THR A 458 1.148 0.117 -2.919 1.00 0.00 C ATOM 941 C THR A 458 0.429 1.432 -2.637 1.00 0.00 C ATOM 942 O THR A 458 -0.534 1.474 -1.872 1.00 0.00 O ATOM 943 CB THR A 458 0.484 -0.567 -4.130 1.00 0.00 C ATOM 944 OG1 THR A 458 0.735 -1.977 -4.092 1.00 0.00 O ATOM 945 CG2 THR A 458 1.013 0.011 -5.436 1.00 0.00 C ATOM 0 H THR A 458 0.220 -1.138 -1.518 1.00 0.00 H new ATOM 0 HA THR A 458 2.193 0.319 -3.152 1.00 0.00 H new ATOM 0 HB THR A 458 -0.590 -0.386 -4.079 1.00 0.00 H new ATOM 0 HG1 THR A 458 0.309 -2.406 -4.863 1.00 0.00 H new ATOM 0 HG21 THR A 458 0.530 -0.487 -6.277 1.00 0.00 H new ATOM 0 HG22 THR A 458 0.798 1.079 -5.475 1.00 0.00 H new ATOM 0 HG23 THR A 458 2.090 -0.144 -5.493 1.00 0.00 H new ATOM 953 N TYR A 459 0.905 2.506 -3.260 1.00 0.00 N ATOM 954 CA TYR A 459 0.307 3.823 -3.078 1.00 0.00 C ATOM 955 C TYR A 459 -0.388 4.288 -4.354 1.00 0.00 C ATOM 956 O TYR A 459 -0.210 3.696 -5.419 1.00 0.00 O ATOM 957 CB TYR A 459 1.376 4.840 -2.668 1.00 0.00 C ATOM 958 CG TYR A 459 1.632 4.881 -1.177 1.00 0.00 C ATOM 959 CD1 TYR A 459 1.786 3.709 -0.446 1.00 0.00 C ATOM 960 CD2 TYR A 459 1.720 6.092 -0.503 1.00 0.00 C ATOM 961 CE1 TYR A 459 2.019 3.742 0.914 1.00 0.00 C ATOM 962 CE2 TYR A 459 1.954 6.134 0.860 1.00 0.00 C ATOM 963 CZ TYR A 459 2.103 4.956 1.563 1.00 0.00 C ATOM 964 OH TYR A 459 2.335 4.994 2.919 1.00 0.00 O ATOM 0 H TYR A 459 1.703 2.489 -3.895 1.00 0.00 H new ATOM 0 HA TYR A 459 -0.438 3.748 -2.286 1.00 0.00 H new ATOM 0 HB2 TYR A 459 2.308 4.603 -3.182 1.00 0.00 H new ATOM 0 HB3 TYR A 459 1.070 5.831 -3.003 1.00 0.00 H new ATOM 0 HD1 TYR A 459 1.722 2.756 -0.951 1.00 0.00 H new ATOM 0 HD2 TYR A 459 1.604 7.015 -1.051 1.00 0.00 H new ATOM 0 HE1 TYR A 459 2.135 2.822 1.467 1.00 0.00 H new ATOM 0 HE2 TYR A 459 2.020 7.083 1.371 1.00 0.00 H new ATOM 0 HH TYR A 459 1.561 5.388 3.372 1.00 0.00 H new ATOM 974 N GLU A 460 -1.179 5.348 -4.240 1.00 0.00 N ATOM 975 CA GLU A 460 -1.902 5.891 -5.385 1.00 0.00 C ATOM 976 C GLU A 460 -2.273 7.352 -5.153 1.00 0.00 C ATOM 977 O GLU A 460 -3.326 7.654 -4.591 1.00 0.00 O ATOM 978 CB GLU A 460 -3.163 5.069 -5.655 1.00 0.00 C ATOM 979 CG GLU A 460 -2.907 3.813 -6.473 1.00 0.00 C ATOM 980 CD GLU A 460 -4.188 3.131 -6.909 1.00 0.00 C ATOM 981 OE1 GLU A 460 -5.223 3.322 -6.236 1.00 0.00 O ATOM 982 OE2 GLU A 460 -4.159 2.404 -7.925 1.00 0.00 O ATOM 0 H GLU A 460 -1.337 5.849 -3.366 1.00 0.00 H new ATOM 0 HA GLU A 460 -1.247 5.836 -6.255 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -3.614 4.787 -4.703 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -3.888 5.692 -6.179 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -2.319 4.071 -7.354 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -2.311 3.116 -5.885 1.00 0.00 H new ATOM 989 N GLY A 461 -1.399 8.255 -5.590 1.00 0.00 N ATOM 990 CA GLY A 461 -1.654 9.674 -5.421 1.00 0.00 C ATOM 991 C GLY A 461 -0.434 10.427 -4.923 1.00 0.00 C ATOM 992 O GLY A 461 0.676 9.895 -4.928 1.00 0.00 O ATOM 0 H GLY A 461 -0.521 8.029 -6.057 1.00 0.00 H new ATOM 0 HA2 GLY A 461 -1.976 10.098 -6.372 1.00 0.00 H new ATOM 0 HA3 GLY A 461 -2.475 9.811 -4.717 1.00 0.00 H new ATOM 996 N LYS A 462 -0.642 11.666 -4.491 1.00 0.00 N ATOM 997 CA LYS A 462 0.449 12.493 -3.989 1.00 0.00 C ATOM 998 C LYS A 462 0.008 13.290 -2.765 1.00 0.00 C ATOM 999 O LYS A 462 -1.084 13.856 -2.742 1.00 0.00 O ATOM 1000 CB LYS A 462 0.942 13.444 -5.081 1.00 0.00 C ATOM 1001 CG LYS A 462 1.443 12.732 -6.327 1.00 0.00 C ATOM 1002 CD LYS A 462 2.620 13.463 -6.953 1.00 0.00 C ATOM 1003 CE LYS A 462 3.135 12.738 -8.184 1.00 0.00 C ATOM 1004 NZ LYS A 462 2.037 12.397 -9.129 1.00 0.00 N ATOM 0 H LYS A 462 -1.556 12.119 -4.478 1.00 0.00 H new ATOM 0 HA LYS A 462 1.266 11.834 -3.697 1.00 0.00 H new ATOM 0 HB2 LYS A 462 0.131 14.117 -5.359 1.00 0.00 H new ATOM 0 HB3 LYS A 462 1.745 14.062 -4.678 1.00 0.00 H new ATOM 0 HG2 LYS A 462 1.740 11.715 -6.071 1.00 0.00 H new ATOM 0 HG3 LYS A 462 0.634 12.655 -7.053 1.00 0.00 H new ATOM 0 HD2 LYS A 462 2.318 14.475 -7.225 1.00 0.00 H new ATOM 0 HD3 LYS A 462 3.423 13.556 -6.222 1.00 0.00 H new ATOM 0 HE2 LYS A 462 3.870 13.363 -8.692 1.00 0.00 H new ATOM 0 HE3 LYS A 462 3.648 11.826 -7.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 462 2.442 12.107 -10.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 462 1.472 11.616 -8.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 462 1.428 13.229 -9.269 1.00 0.00 H new ATOM 1018 N HIS A 463 0.865 13.329 -1.752 1.00 0.00 N ATOM 1019 CA HIS A 463 0.564 14.057 -0.524 1.00 0.00 C ATOM 1020 C HIS A 463 0.699 15.561 -0.737 1.00 0.00 C ATOM 1021 O HIS A 463 1.717 16.038 -1.238 1.00 0.00 O ATOM 1022 CB HIS A 463 1.492 13.604 0.604 1.00 0.00 C ATOM 1023 CG HIS A 463 1.257 12.192 1.041 1.00 0.00 C ATOM 1024 ND1 HIS A 463 0.160 11.805 1.781 1.00 0.00 N ATOM 1025 CD2 HIS A 463 1.985 11.068 0.839 1.00 0.00 C ATOM 1026 CE1 HIS A 463 0.223 10.507 2.018 1.00 0.00 C ATOM 1027 NE2 HIS A 463 1.320 10.036 1.456 1.00 0.00 N ATOM 0 H HIS A 463 1.774 12.866 -1.756 1.00 0.00 H new ATOM 0 HA HIS A 463 -0.467 13.839 -0.245 1.00 0.00 H new ATOM 0 HB2 HIS A 463 2.526 13.707 0.276 1.00 0.00 H new ATOM 0 HB3 HIS A 463 1.361 14.267 1.459 1.00 0.00 H new ATOM 0 HD2 HIS A 463 2.915 10.996 0.294 1.00 0.00 H new ATOM 0 HE1 HIS A 463 -0.500 9.930 2.576 1.00 0.00 H new ATOM 0 HE2 HIS A 463 1.625 9.063 1.476 1.00 0.00 H new ATOM 1035 N ASN A 464 -0.334 16.302 -0.352 1.00 0.00 N ATOM 1036 CA ASN A 464 -0.333 17.753 -0.502 1.00 0.00 C ATOM 1037 C ASN A 464 -0.420 18.439 0.858 1.00 0.00 C ATOM 1038 O ASN A 464 -0.965 19.537 0.976 1.00 0.00 O ATOM 1039 CB ASN A 464 -1.499 18.197 -1.386 1.00 0.00 C ATOM 1040 CG ASN A 464 -2.842 17.756 -0.837 1.00 0.00 C ATOM 1041 OD1 ASN A 464 -3.311 16.655 -1.123 1.00 0.00 O ATOM 1042 ND2 ASN A 464 -3.467 18.615 -0.041 1.00 0.00 N ATOM 0 H ASN A 464 -1.183 15.922 0.066 1.00 0.00 H new ATOM 0 HA ASN A 464 0.604 18.044 -0.977 1.00 0.00 H new ATOM 0 HB2 ASN A 464 -1.487 19.283 -1.480 1.00 0.00 H new ATOM 0 HB3 ASN A 464 -1.368 17.789 -2.388 1.00 0.00 H new ATOM 0 HD21 ASN A 464 -4.373 18.372 0.360 1.00 0.00 H new ATOM 0 HD22 ASN A 464 -3.041 19.518 0.170 1.00 0.00 H new ATOM 1049 N HIS A 465 0.120 17.786 1.882 1.00 0.00 N ATOM 1050 CA HIS A 465 0.102 18.336 3.233 1.00 0.00 C ATOM 1051 C HIS A 465 1.393 18.009 3.982 1.00 0.00 C ATOM 1052 O HIS A 465 1.446 18.091 5.209 1.00 0.00 O ATOM 1053 CB HIS A 465 -1.099 17.793 4.007 1.00 0.00 C ATOM 1054 CG HIS A 465 -1.063 16.310 4.206 1.00 0.00 C ATOM 1055 ND1 HIS A 465 -0.698 15.717 5.397 1.00 0.00 N ATOM 1056 CD2 HIS A 465 -1.356 15.294 3.358 1.00 0.00 C ATOM 1057 CE1 HIS A 465 -0.768 14.402 5.272 1.00 0.00 C ATOM 1058 NE2 HIS A 465 -1.165 14.122 4.044 1.00 0.00 N ATOM 0 H HIS A 465 0.575 16.877 1.802 1.00 0.00 H new ATOM 0 HA HIS A 465 0.020 19.420 3.152 1.00 0.00 H new ATOM 0 HB2 HIS A 465 -1.144 18.281 4.981 1.00 0.00 H new ATOM 0 HB3 HIS A 465 -2.013 18.058 3.475 1.00 0.00 H new ATOM 0 HD1 HIS A 465 -0.418 16.215 6.242 1.00 0.00 H new ATOM 0 HD2 HIS A 465 -1.680 15.390 2.332 1.00 0.00 H new ATOM 0 HE1 HIS A 465 -0.540 13.681 6.043 1.00 0.00 H new