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 -59:sc= 0.691 USER MOD Set 1.2: A 436 THR OG1 : rot 172:sc= 0.575 USER MOD Set 1.3: A 439 CYS SG : rot -128:sc= -3.9! USER MOD Set 1.4: A 463 HIS : no HD1:sc= -0.0906 X(o=-2.9,f=-2.8) USER MOD Set 1.5: A 465 HIS : no HD1:sc= -0.206 X(o=-2.9,f=-2.9) USER MOD Set 2.1: A 430 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 432 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 420 LYS NZ :NH3+ -140:sc= -0.0172 (180deg=-0.29) USER MOD Set 3.2: A 431 TYR OH : rot -15:sc= 0.0291 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= -0.181 USER MOD Single : A 419 GLN : amide:sc= -1.15 K(o=-1.1,f=-8.8!) USER MOD Single : A 423 LYS NZ :NH3+ 149:sc= -0.375 (180deg=-1.29!) USER MOD Single : A 425 ASN : amide:sc= -2.21 K(o=-2.2,f=-6!) USER MOD Single : A 427 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=-0.00192 USER MOD Single : A 443 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 444 HIS : no HD1:sc= -0.222 X(o=-0.22,f=-0.0034) USER MOD Single : A 450 THR OG1 : rot 180:sc= 0.0233 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 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 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 185 N TYR A 412 1.241 9.380 8.197 1.00 0.00 N ATOM 186 CA TYR A 412 0.162 10.258 7.757 1.00 0.00 C ATOM 187 C TYR A 412 -1.171 9.822 8.357 1.00 0.00 C ATOM 188 O TYR A 412 -1.261 8.778 9.003 1.00 0.00 O ATOM 189 CB TYR A 412 0.069 10.263 6.232 1.00 0.00 C ATOM 190 CG TYR A 412 1.373 10.605 5.547 1.00 0.00 C ATOM 191 CD1 TYR A 412 2.354 9.638 5.354 1.00 0.00 C ATOM 192 CD2 TYR A 412 1.625 11.893 5.093 1.00 0.00 C ATOM 193 CE1 TYR A 412 3.547 9.947 4.729 1.00 0.00 C ATOM 194 CE2 TYR A 412 2.816 12.209 4.465 1.00 0.00 C ATOM 195 CZ TYR A 412 3.773 11.233 4.286 1.00 0.00 C ATOM 196 OH TYR A 412 4.960 11.544 3.664 1.00 0.00 O ATOM 0 HA TYR A 412 0.385 11.267 8.103 1.00 0.00 H new ATOM 0 HB2 TYR A 412 -0.263 9.282 5.893 1.00 0.00 H new ATOM 0 HB3 TYR A 412 -0.692 10.980 5.925 1.00 0.00 H new ATOM 0 HD1 TYR A 412 2.180 8.629 5.698 1.00 0.00 H new ATOM 0 HD2 TYR A 412 0.878 12.661 5.233 1.00 0.00 H new ATOM 0 HE1 TYR A 412 4.299 9.185 4.588 1.00 0.00 H new ATOM 0 HE2 TYR A 412 2.995 13.215 4.117 1.00 0.00 H new ATOM 0 HH TYR A 412 4.959 12.491 3.413 1.00 0.00 H new ATOM 206 N ARG A 413 -2.205 10.629 8.140 1.00 0.00 N ATOM 207 CA ARG A 413 -3.534 10.327 8.660 1.00 0.00 C ATOM 208 C ARG A 413 -4.327 9.483 7.667 1.00 0.00 C ATOM 209 O ARG A 413 -4.935 10.010 6.735 1.00 0.00 O ATOM 210 CB ARG A 413 -4.291 11.621 8.967 1.00 0.00 C ATOM 211 CG ARG A 413 -5.454 11.431 9.927 1.00 0.00 C ATOM 212 CD ARG A 413 -5.626 12.635 10.838 1.00 0.00 C ATOM 213 NE ARG A 413 -7.030 12.898 11.141 1.00 0.00 N ATOM 214 CZ ARG A 413 -7.866 13.510 10.304 1.00 0.00 C ATOM 215 NH1 ARG A 413 -7.444 13.922 9.116 1.00 0.00 N ATOM 216 NH2 ARG A 413 -9.128 13.710 10.658 1.00 0.00 N ATOM 0 H ARG A 413 -2.148 11.497 7.608 1.00 0.00 H new ATOM 0 HA ARG A 413 -3.416 9.757 9.581 1.00 0.00 H new ATOM 0 HB2 ARG A 413 -3.597 12.347 9.390 1.00 0.00 H new ATOM 0 HB3 ARG A 413 -4.665 12.043 8.035 1.00 0.00 H new ATOM 0 HG2 ARG A 413 -6.371 11.267 9.361 1.00 0.00 H new ATOM 0 HG3 ARG A 413 -5.288 10.538 10.530 1.00 0.00 H new ATOM 0 HD2 ARG A 413 -5.080 12.467 11.767 1.00 0.00 H new ATOM 0 HD3 ARG A 413 -5.187 13.513 10.364 1.00 0.00 H new ATOM 0 HE ARG A 413 -7.391 12.596 12.046 1.00 0.00 H new ATOM 0 HH11 ARG A 413 -6.474 13.771 8.839 1.00 0.00 H new ATOM 0 HH12 ARG A 413 -8.089 14.390 8.480 1.00 0.00 H new ATOM 0 HH21 ARG A 413 -9.458 13.395 11.571 1.00 0.00 H new ATOM 0 HH22 ARG A 413 -9.769 14.179 10.018 1.00 0.00 H new ATOM 230 N TRP A 414 -4.316 8.169 7.874 1.00 0.00 N ATOM 231 CA TRP A 414 -5.034 7.253 6.997 1.00 0.00 C ATOM 232 C TRP A 414 -6.339 6.795 7.640 1.00 0.00 C ATOM 233 O TRP A 414 -6.593 7.063 8.814 1.00 0.00 O ATOM 234 CB TRP A 414 -4.163 6.038 6.669 1.00 0.00 C ATOM 235 CG TRP A 414 -2.778 6.402 6.230 1.00 0.00 C ATOM 236 CD1 TRP A 414 -1.721 6.726 7.033 1.00 0.00 C ATOM 237 CD2 TRP A 414 -2.296 6.476 4.884 1.00 0.00 C ATOM 238 NE1 TRP A 414 -0.614 6.999 6.268 1.00 0.00 N ATOM 239 CE2 TRP A 414 -0.941 6.853 4.946 1.00 0.00 C ATOM 240 CE3 TRP A 414 -2.879 6.261 3.632 1.00 0.00 C ATOM 241 CZ2 TRP A 414 -0.161 7.017 3.804 1.00 0.00 C ATOM 242 CZ3 TRP A 414 -2.103 6.426 2.498 1.00 0.00 C ATOM 243 CH2 TRP A 414 -0.757 6.800 2.592 1.00 0.00 C ATOM 0 H TRP A 414 -3.818 7.717 8.641 1.00 0.00 H new ATOM 0 HA TRP A 414 -5.269 7.784 6.074 1.00 0.00 H new ATOM 0 HB2 TRP A 414 -4.101 5.396 7.548 1.00 0.00 H new ATOM 0 HB3 TRP A 414 -4.645 5.456 5.883 1.00 0.00 H new ATOM 0 HD1 TRP A 414 -1.752 6.762 8.112 1.00 0.00 H new ATOM 0 HE1 TRP A 414 0.303 7.267 6.626 1.00 0.00 H new ATOM 0 HE3 TRP A 414 -3.916 5.971 3.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 414 0.878 7.305 3.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 414 -2.543 6.264 1.525 1.00 0.00 H new ATOM 0 HH2 TRP A 414 -0.177 6.920 1.689 1.00 0.00 H new ATOM 254 N ARG A 415 -7.164 6.102 6.861 1.00 0.00 N ATOM 255 CA ARG A 415 -8.444 5.604 7.352 1.00 0.00 C ATOM 256 C ARG A 415 -8.930 4.431 6.507 1.00 0.00 C ATOM 257 O ARG A 415 -8.742 4.411 5.292 1.00 0.00 O ATOM 258 CB ARG A 415 -9.487 6.723 7.344 1.00 0.00 C ATOM 259 CG ARG A 415 -10.591 6.533 8.372 1.00 0.00 C ATOM 260 CD ARG A 415 -11.915 6.173 7.715 1.00 0.00 C ATOM 261 NE ARG A 415 -12.838 7.304 7.689 1.00 0.00 N ATOM 262 CZ ARG A 415 -13.918 7.362 6.913 1.00 0.00 C ATOM 263 NH1 ARG A 415 -14.212 6.359 6.098 1.00 0.00 N ATOM 264 NH2 ARG A 415 -14.706 8.429 6.953 1.00 0.00 N ATOM 0 H ARG A 415 -6.969 5.873 5.887 1.00 0.00 H new ATOM 0 HA ARG A 415 -8.304 5.257 8.376 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -8.989 7.674 7.530 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -9.933 6.786 6.351 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -10.306 5.747 9.071 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -10.709 7.448 8.952 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -11.733 5.830 6.696 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -12.373 5.343 8.253 1.00 0.00 H new ATOM 0 HE ARG A 415 -12.644 8.096 8.301 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -13.609 5.537 6.063 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -15.041 6.409 5.506 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -14.484 9.204 7.578 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -15.534 8.474 6.359 1.00 0.00 H new ATOM 278 N LYS A 416 -9.554 3.457 7.160 1.00 0.00 N ATOM 279 CA LYS A 416 -10.066 2.279 6.467 1.00 0.00 C ATOM 280 C LYS A 416 -11.462 2.541 5.909 1.00 0.00 C ATOM 281 O LYS A 416 -12.360 2.975 6.633 1.00 0.00 O ATOM 282 CB LYS A 416 -10.095 1.077 7.413 1.00 0.00 C ATOM 283 CG LYS A 416 -9.562 -0.202 6.788 1.00 0.00 C ATOM 284 CD LYS A 416 -9.333 -1.283 7.833 1.00 0.00 C ATOM 285 CE LYS A 416 -10.437 -2.328 7.804 1.00 0.00 C ATOM 286 NZ LYS A 416 -10.010 -3.603 8.445 1.00 0.00 N ATOM 0 H LYS A 416 -9.718 3.459 8.167 1.00 0.00 H new ATOM 0 HA LYS A 416 -9.399 2.058 5.634 1.00 0.00 H new ATOM 0 HB2 LYS A 416 -9.507 1.310 8.301 1.00 0.00 H new ATOM 0 HB3 LYS A 416 -11.120 0.910 7.744 1.00 0.00 H new ATOM 0 HG2 LYS A 416 -10.267 -0.563 6.039 1.00 0.00 H new ATOM 0 HG3 LYS A 416 -8.626 0.008 6.270 1.00 0.00 H new ATOM 0 HD2 LYS A 416 -8.371 -1.764 7.656 1.00 0.00 H new ATOM 0 HD3 LYS A 416 -9.286 -0.829 8.823 1.00 0.00 H new ATOM 0 HE2 LYS A 416 -11.317 -1.941 8.317 1.00 0.00 H new ATOM 0 HE3 LYS A 416 -10.728 -2.520 6.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 416 -10.790 -4.290 8.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 416 -9.185 -3.986 7.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 416 -9.756 -3.425 9.438 1.00 0.00 H new ATOM 300 N TYR A 417 -11.638 2.272 4.620 1.00 0.00 N ATOM 301 CA TYR A 417 -12.923 2.476 3.964 1.00 0.00 C ATOM 302 C TYR A 417 -13.546 1.144 3.560 1.00 0.00 C ATOM 303 O TYR A 417 -14.766 0.984 3.587 1.00 0.00 O ATOM 304 CB TYR A 417 -12.754 3.368 2.733 1.00 0.00 C ATOM 305 CG TYR A 417 -11.881 2.758 1.659 1.00 0.00 C ATOM 306 CD1 TYR A 417 -10.496 2.852 1.727 1.00 0.00 C ATOM 307 CD2 TYR A 417 -12.441 2.090 0.578 1.00 0.00 C ATOM 308 CE1 TYR A 417 -9.695 2.297 0.747 1.00 0.00 C ATOM 309 CE2 TYR A 417 -11.646 1.531 -0.405 1.00 0.00 C ATOM 310 CZ TYR A 417 -10.275 1.637 -0.315 1.00 0.00 C ATOM 311 OH TYR A 417 -9.480 1.082 -1.292 1.00 0.00 O ATOM 0 H TYR A 417 -10.905 1.912 4.008 1.00 0.00 H new ATOM 0 HA TYR A 417 -13.590 2.968 4.672 1.00 0.00 H new ATOM 0 HB2 TYR A 417 -13.736 3.583 2.313 1.00 0.00 H new ATOM 0 HB3 TYR A 417 -12.324 4.321 3.041 1.00 0.00 H new ATOM 0 HD1 TYR A 417 -10.038 3.367 2.559 1.00 0.00 H new ATOM 0 HD2 TYR A 417 -13.515 2.006 0.504 1.00 0.00 H new ATOM 0 HE1 TYR A 417 -8.620 2.380 0.813 1.00 0.00 H new ATOM 0 HE2 TYR A 417 -12.097 1.014 -1.239 1.00 0.00 H new ATOM 0 HH TYR A 417 -10.045 0.653 -1.968 1.00 0.00 H new ATOM 321 N GLY A 418 -12.699 0.190 3.186 1.00 0.00 N ATOM 322 CA GLY A 418 -13.184 -1.116 2.781 1.00 0.00 C ATOM 323 C GLY A 418 -12.096 -2.172 2.809 1.00 0.00 C ATOM 324 O GLY A 418 -10.942 -1.875 3.117 1.00 0.00 O ATOM 0 H GLY A 418 -11.685 0.299 3.156 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -13.997 -1.419 3.440 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -13.597 -1.051 1.774 1.00 0.00 H new ATOM 328 N GLN A 419 -12.464 -3.406 2.485 1.00 0.00 N ATOM 329 CA GLN A 419 -11.509 -4.509 2.475 1.00 0.00 C ATOM 330 C GLN A 419 -12.117 -5.749 1.824 1.00 0.00 C ATOM 331 O GLN A 419 -13.316 -5.794 1.548 1.00 0.00 O ATOM 332 CB GLN A 419 -11.058 -4.834 3.899 1.00 0.00 C ATOM 333 CG GLN A 419 -12.181 -5.335 4.793 1.00 0.00 C ATOM 334 CD GLN A 419 -12.715 -4.256 5.716 1.00 0.00 C ATOM 335 OE1 GLN A 419 -12.813 -3.089 5.335 1.00 0.00 O ATOM 336 NE2 GLN A 419 -13.062 -4.641 6.939 1.00 0.00 N ATOM 0 H GLN A 419 -13.415 -3.668 2.226 1.00 0.00 H new ATOM 0 HA GLN A 419 -10.642 -4.202 1.890 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -10.272 -5.588 3.859 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -10.620 -3.941 4.345 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -12.994 -5.713 4.173 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -11.820 -6.173 5.390 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -12.964 -5.619 7.213 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -13.426 -3.959 7.604 1.00 0.00 H new ATOM 345 N LYS A 420 -11.280 -6.753 1.584 1.00 0.00 N ATOM 346 CA LYS A 420 -11.735 -7.995 0.967 1.00 0.00 C ATOM 347 C LYS A 420 -10.966 -9.190 1.524 1.00 0.00 C ATOM 348 O LYS A 420 -10.154 -9.047 2.437 1.00 0.00 O ATOM 349 CB LYS A 420 -11.564 -7.926 -0.551 1.00 0.00 C ATOM 350 CG LYS A 420 -10.114 -7.803 -0.997 1.00 0.00 C ATOM 351 CD LYS A 420 -9.663 -9.023 -1.782 1.00 0.00 C ATOM 352 CE LYS A 420 -8.697 -8.646 -2.893 1.00 0.00 C ATOM 353 NZ LYS A 420 -9.368 -7.877 -3.976 1.00 0.00 N ATOM 0 H LYS A 420 -10.285 -6.732 1.807 1.00 0.00 H new ATOM 0 HA LYS A 420 -12.792 -8.124 1.201 1.00 0.00 H new ATOM 0 HB2 LYS A 420 -11.998 -8.820 -0.998 1.00 0.00 H new ATOM 0 HB3 LYS A 420 -12.126 -7.074 -0.933 1.00 0.00 H new ATOM 0 HG2 LYS A 420 -9.997 -6.911 -1.612 1.00 0.00 H new ATOM 0 HG3 LYS A 420 -9.474 -7.675 -0.124 1.00 0.00 H new ATOM 0 HD2 LYS A 420 -9.184 -9.734 -1.108 1.00 0.00 H new ATOM 0 HD3 LYS A 420 -10.532 -9.524 -2.209 1.00 0.00 H new ATOM 0 HE2 LYS A 420 -7.881 -8.053 -2.479 1.00 0.00 H new ATOM 0 HE3 LYS A 420 -8.254 -9.550 -3.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 -9.008 -8.191 -4.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 -10.394 -8.038 -3.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 -9.172 -6.863 -3.855 1.00 0.00 H new ATOM 367 N VAL A 421 -11.229 -10.367 0.966 1.00 0.00 N ATOM 368 CA VAL A 421 -10.562 -11.586 1.406 1.00 0.00 C ATOM 369 C VAL A 421 -9.719 -12.188 0.284 1.00 0.00 C ATOM 370 O VAL A 421 -10.111 -12.158 -0.882 1.00 0.00 O ATOM 371 CB VAL A 421 -11.578 -12.638 1.896 1.00 0.00 C ATOM 372 CG1 VAL A 421 -12.523 -13.036 0.772 1.00 0.00 C ATOM 373 CG2 VAL A 421 -10.861 -13.856 2.456 1.00 0.00 C ATOM 0 H VAL A 421 -11.899 -10.502 0.209 1.00 0.00 H new ATOM 0 HA VAL A 421 -9.911 -11.309 2.235 1.00 0.00 H new ATOM 0 HB VAL A 421 -12.170 -12.195 2.697 1.00 0.00 H new ATOM 0 HG11 VAL A 421 -13.232 -13.779 1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 421 -13.066 -12.157 0.425 1.00 0.00 H new ATOM 0 HG13 VAL A 421 -11.949 -13.458 -0.053 1.00 0.00 H new ATOM 0 HG21 VAL A 421 -11.595 -14.586 2.796 1.00 0.00 H new ATOM 0 HG22 VAL A 421 -10.239 -14.301 1.679 1.00 0.00 H new ATOM 0 HG23 VAL A 421 -10.233 -13.555 3.295 1.00 0.00 H new ATOM 383 N VAL A 422 -8.562 -12.731 0.645 1.00 0.00 N ATOM 384 CA VAL A 422 -7.666 -13.338 -0.331 1.00 0.00 C ATOM 385 C VAL A 422 -7.914 -14.838 -0.445 1.00 0.00 C ATOM 386 O VAL A 422 -7.941 -15.552 0.557 1.00 0.00 O ATOM 387 CB VAL A 422 -6.188 -13.101 0.037 1.00 0.00 C ATOM 388 CG1 VAL A 422 -5.277 -13.565 -1.088 1.00 0.00 C ATOM 389 CG2 VAL A 422 -5.947 -11.634 0.358 1.00 0.00 C ATOM 0 H VAL A 422 -8.223 -12.763 1.606 1.00 0.00 H new ATOM 0 HA VAL A 422 -7.874 -12.863 -1.289 1.00 0.00 H new ATOM 0 HB VAL A 422 -5.955 -13.687 0.926 1.00 0.00 H new ATOM 0 HG11 VAL A 422 -4.238 -13.390 -0.810 1.00 0.00 H new ATOM 0 HG12 VAL A 422 -5.431 -14.629 -1.265 1.00 0.00 H new ATOM 0 HG13 VAL A 422 -5.508 -13.009 -1.996 1.00 0.00 H new ATOM 0 HG21 VAL A 422 -4.898 -11.485 0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 422 -6.197 -11.026 -0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 422 -6.573 -11.338 1.200 1.00 0.00 H new ATOM 399 N LYS A 423 -8.094 -15.312 -1.675 1.00 0.00 N ATOM 400 CA LYS A 423 -8.341 -16.727 -1.920 1.00 0.00 C ATOM 401 C LYS A 423 -7.045 -17.527 -1.840 1.00 0.00 C ATOM 402 O LYS A 423 -6.159 -17.379 -2.682 1.00 0.00 O ATOM 403 CB LYS A 423 -8.990 -16.923 -3.291 1.00 0.00 C ATOM 404 CG LYS A 423 -10.380 -16.318 -3.399 1.00 0.00 C ATOM 405 CD LYS A 423 -11.461 -17.359 -3.147 1.00 0.00 C ATOM 406 CE LYS A 423 -11.899 -17.365 -1.692 1.00 0.00 C ATOM 407 NZ LYS A 423 -12.340 -16.018 -1.238 1.00 0.00 N ATOM 0 H LYS A 423 -8.073 -14.736 -2.516 1.00 0.00 H new ATOM 0 HA LYS A 423 -9.020 -17.090 -1.149 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -8.350 -16.479 -4.053 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -9.050 -17.990 -3.506 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -10.481 -15.505 -2.680 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -10.514 -15.885 -4.390 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -12.320 -17.155 -3.786 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -11.088 -18.346 -3.420 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -12.714 -18.077 -1.562 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -11.074 -17.707 -1.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -13.076 -16.121 -0.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -11.529 -15.503 -0.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -12.724 -15.488 -2.046 1.00 0.00 H new ATOM 421 N GLY A 424 -6.941 -18.375 -0.822 1.00 0.00 N ATOM 422 CA GLY A 424 -5.750 -19.187 -0.650 1.00 0.00 C ATOM 423 C GLY A 424 -4.913 -18.747 0.535 1.00 0.00 C ATOM 424 O GLY A 424 -4.219 -19.559 1.148 1.00 0.00 O ATOM 0 H GLY A 424 -7.660 -18.515 -0.113 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -6.041 -20.229 -0.518 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -5.146 -19.137 -1.556 1.00 0.00 H new ATOM 428 N ASN A 425 -4.979 -17.460 0.858 1.00 0.00 N ATOM 429 CA ASN A 425 -4.220 -16.914 1.977 1.00 0.00 C ATOM 430 C ASN A 425 -5.118 -16.715 3.197 1.00 0.00 C ATOM 431 O ASN A 425 -6.264 -16.283 3.069 1.00 0.00 O ATOM 432 CB ASN A 425 -3.572 -15.585 1.584 1.00 0.00 C ATOM 433 CG ASN A 425 -2.852 -15.666 0.252 1.00 0.00 C ATOM 434 OD1 ASN A 425 -2.797 -16.724 -0.375 1.00 0.00 O ATOM 435 ND2 ASN A 425 -2.291 -14.545 -0.187 1.00 0.00 N ATOM 0 H ASN A 425 -5.550 -16.776 0.361 1.00 0.00 H new ATOM 0 HA ASN A 425 -3.438 -17.628 2.235 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -4.338 -14.811 1.534 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -2.866 -15.285 2.358 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -1.791 -14.539 -1.076 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -2.361 -13.690 0.365 1.00 0.00 H new ATOM 442 N PRO A 426 -4.609 -17.026 4.405 1.00 0.00 N ATOM 443 CA PRO A 426 -5.375 -16.875 5.644 1.00 0.00 C ATOM 444 C PRO A 426 -5.511 -15.417 6.068 1.00 0.00 C ATOM 445 O PRO A 426 -6.528 -15.017 6.635 1.00 0.00 O ATOM 446 CB PRO A 426 -4.545 -17.654 6.664 1.00 0.00 C ATOM 447 CG PRO A 426 -3.148 -17.567 6.156 1.00 0.00 C ATOM 448 CD PRO A 426 -3.250 -17.546 4.653 1.00 0.00 C ATOM 0 HA PRO A 426 -6.399 -17.235 5.540 1.00 0.00 H new ATOM 0 HB2 PRO A 426 -4.632 -17.220 7.660 1.00 0.00 H new ATOM 0 HB3 PRO A 426 -4.877 -18.690 6.737 1.00 0.00 H new ATOM 0 HG2 PRO A 426 -2.654 -16.668 6.526 1.00 0.00 H new ATOM 0 HG3 PRO A 426 -2.557 -18.418 6.495 1.00 0.00 H new ATOM 0 HD2 PRO A 426 -2.488 -16.906 4.208 1.00 0.00 H new ATOM 0 HD3 PRO A 426 -3.118 -18.541 4.228 1.00 0.00 H new ATOM 456 N TYR A 427 -4.479 -14.627 5.791 1.00 0.00 N ATOM 457 CA TYR A 427 -4.483 -13.212 6.145 1.00 0.00 C ATOM 458 C TYR A 427 -5.357 -12.412 5.178 1.00 0.00 C ATOM 459 O TYR A 427 -5.107 -12.400 3.973 1.00 0.00 O ATOM 460 CB TYR A 427 -3.056 -12.660 6.134 1.00 0.00 C ATOM 461 CG TYR A 427 -2.075 -13.506 6.915 1.00 0.00 C ATOM 462 CD1 TYR A 427 -2.345 -13.888 8.223 1.00 0.00 C ATOM 463 CD2 TYR A 427 -0.878 -13.919 6.344 1.00 0.00 C ATOM 464 CE1 TYR A 427 -1.451 -14.660 8.940 1.00 0.00 C ATOM 465 CE2 TYR A 427 0.022 -14.692 7.055 1.00 0.00 C ATOM 466 CZ TYR A 427 -0.269 -15.060 8.351 1.00 0.00 C ATOM 467 OH TYR A 427 0.625 -15.827 9.061 1.00 0.00 O ATOM 0 H TYR A 427 -3.629 -14.942 5.323 1.00 0.00 H new ATOM 0 HA TYR A 427 -4.897 -13.114 7.149 1.00 0.00 H new ATOM 0 HB2 TYR A 427 -2.714 -12.580 5.102 1.00 0.00 H new ATOM 0 HB3 TYR A 427 -3.062 -11.651 6.546 1.00 0.00 H new ATOM 0 HD1 TYR A 427 -3.269 -13.576 8.687 1.00 0.00 H new ATOM 0 HD2 TYR A 427 -0.646 -13.632 5.329 1.00 0.00 H new ATOM 0 HE1 TYR A 427 -1.676 -14.949 9.956 1.00 0.00 H new ATOM 0 HE2 TYR A 427 0.948 -15.006 6.597 1.00 0.00 H new ATOM 0 HH TYR A 427 1.405 -16.023 8.501 1.00 0.00 H new ATOM 477 N PRO A 428 -6.397 -11.731 5.693 1.00 0.00 N ATOM 478 CA PRO A 428 -7.301 -10.931 4.859 1.00 0.00 C ATOM 479 C PRO A 428 -6.630 -9.672 4.322 1.00 0.00 C ATOM 480 O PRO A 428 -5.567 -9.273 4.794 1.00 0.00 O ATOM 481 CB PRO A 428 -8.437 -10.564 5.815 1.00 0.00 C ATOM 482 CG PRO A 428 -7.818 -10.603 7.170 1.00 0.00 C ATOM 483 CD PRO A 428 -6.775 -11.684 7.118 1.00 0.00 C ATOM 0 HA PRO A 428 -7.630 -11.478 3.975 1.00 0.00 H new ATOM 0 HB2 PRO A 428 -8.839 -9.576 5.592 1.00 0.00 H new ATOM 0 HB3 PRO A 428 -9.264 -11.270 5.737 1.00 0.00 H new ATOM 0 HG2 PRO A 428 -7.371 -9.641 7.423 1.00 0.00 H new ATOM 0 HG3 PRO A 428 -8.565 -10.818 7.934 1.00 0.00 H new ATOM 0 HD2 PRO A 428 -5.920 -11.448 7.752 1.00 0.00 H new ATOM 0 HD3 PRO A 428 -7.171 -12.640 7.460 1.00 0.00 H new ATOM 491 N ARG A 429 -7.258 -9.051 3.329 1.00 0.00 N ATOM 492 CA ARG A 429 -6.721 -7.836 2.724 1.00 0.00 C ATOM 493 C ARG A 429 -7.227 -6.596 3.453 1.00 0.00 C ATOM 494 O ARG A 429 -8.286 -6.620 4.080 1.00 0.00 O ATOM 495 CB ARG A 429 -7.105 -7.766 1.245 1.00 0.00 C ATOM 496 CG ARG A 429 -6.034 -8.309 0.312 1.00 0.00 C ATOM 497 CD ARG A 429 -5.379 -7.201 -0.501 1.00 0.00 C ATOM 498 NE ARG A 429 -5.329 -7.523 -1.926 1.00 0.00 N ATOM 499 CZ ARG A 429 -4.862 -6.696 -2.858 1.00 0.00 C ATOM 500 NH1 ARG A 429 -4.403 -5.496 -2.520 1.00 0.00 N ATOM 501 NH2 ARG A 429 -4.854 -7.068 -4.130 1.00 0.00 N ATOM 0 H ARG A 429 -8.139 -9.369 2.926 1.00 0.00 H new ATOM 0 HA ARG A 429 -5.635 -7.866 2.809 1.00 0.00 H new ATOM 0 HB2 ARG A 429 -8.027 -8.326 1.091 1.00 0.00 H new ATOM 0 HB3 ARG A 429 -7.314 -6.729 0.981 1.00 0.00 H new ATOM 0 HG2 ARG A 429 -5.274 -8.830 0.895 1.00 0.00 H new ATOM 0 HG3 ARG A 429 -6.477 -9.042 -0.363 1.00 0.00 H new ATOM 0 HD2 ARG A 429 -5.931 -6.272 -0.359 1.00 0.00 H new ATOM 0 HD3 ARG A 429 -4.368 -7.030 -0.132 1.00 0.00 H new ATOM 0 HE ARG A 429 -5.673 -8.436 -2.224 1.00 0.00 H new ATOM 0 HH11 ARG A 429 -4.408 -5.205 -1.542 1.00 0.00 H new ATOM 0 HH12 ARG A 429 -4.046 -4.866 -3.238 1.00 0.00 H new ATOM 0 HH21 ARG A 429 -5.206 -7.988 -4.394 1.00 0.00 H new ATOM 0 HH22 ARG A 429 -4.496 -6.434 -4.844 1.00 0.00 H new ATOM 515 N SER A 430 -6.464 -5.513 3.365 1.00 0.00 N ATOM 516 CA SER A 430 -6.835 -4.261 4.015 1.00 0.00 C ATOM 517 C SER A 430 -6.594 -3.075 3.084 1.00 0.00 C ATOM 518 O SER A 430 -5.554 -2.989 2.430 1.00 0.00 O ATOM 519 CB SER A 430 -6.041 -4.077 5.308 1.00 0.00 C ATOM 520 OG SER A 430 -6.462 -4.998 6.300 1.00 0.00 O ATOM 0 H SER A 430 -5.584 -5.476 2.850 1.00 0.00 H new ATOM 0 HA SER A 430 -7.898 -4.305 4.254 1.00 0.00 H new ATOM 0 HB2 SER A 430 -4.978 -4.213 5.108 1.00 0.00 H new ATOM 0 HB3 SER A 430 -6.168 -3.059 5.675 1.00 0.00 H new ATOM 0 HG SER A 430 -5.938 -4.861 7.117 1.00 0.00 H new ATOM 526 N TYR A 431 -7.562 -2.166 3.028 1.00 0.00 N ATOM 527 CA TYR A 431 -7.454 -0.988 2.176 1.00 0.00 C ATOM 528 C TYR A 431 -7.557 0.294 2.997 1.00 0.00 C ATOM 529 O TYR A 431 -8.527 0.500 3.726 1.00 0.00 O ATOM 530 CB TYR A 431 -8.546 -1.008 1.104 1.00 0.00 C ATOM 531 CG TYR A 431 -8.416 -2.156 0.129 1.00 0.00 C ATOM 532 CD1 TYR A 431 -7.210 -2.418 -0.510 1.00 0.00 C ATOM 533 CD2 TYR A 431 -9.500 -2.979 -0.154 1.00 0.00 C ATOM 534 CE1 TYR A 431 -7.088 -3.466 -1.402 1.00 0.00 C ATOM 535 CE2 TYR A 431 -9.385 -4.030 -1.044 1.00 0.00 C ATOM 536 CZ TYR A 431 -8.178 -4.270 -1.664 1.00 0.00 C ATOM 537 OH TYR A 431 -8.058 -5.314 -2.552 1.00 0.00 O ATOM 0 H TYR A 431 -8.429 -2.223 3.562 1.00 0.00 H new ATOM 0 HA TYR A 431 -6.477 -1.010 1.694 1.00 0.00 H new ATOM 0 HB2 TYR A 431 -9.520 -1.064 1.590 1.00 0.00 H new ATOM 0 HB3 TYR A 431 -8.519 -0.069 0.552 1.00 0.00 H new ATOM 0 HD1 TYR A 431 -6.354 -1.792 -0.306 1.00 0.00 H new ATOM 0 HD2 TYR A 431 -10.448 -2.794 0.330 1.00 0.00 H new ATOM 0 HE1 TYR A 431 -6.144 -3.655 -1.892 1.00 0.00 H new ATOM 0 HE2 TYR A 431 -10.237 -4.660 -1.253 1.00 0.00 H new ATOM 0 HH TYR A 431 -7.238 -5.205 -3.077 1.00 0.00 H new ATOM 547 N TYR A 432 -6.549 1.152 2.873 1.00 0.00 N ATOM 548 CA TYR A 432 -6.524 2.416 3.602 1.00 0.00 C ATOM 549 C TYR A 432 -6.380 3.592 2.641 1.00 0.00 C ATOM 550 O TYR A 432 -6.220 3.405 1.436 1.00 0.00 O ATOM 551 CB TYR A 432 -5.377 2.423 4.613 1.00 0.00 C ATOM 552 CG TYR A 432 -5.408 1.255 5.572 1.00 0.00 C ATOM 553 CD1 TYR A 432 -6.132 1.322 6.757 1.00 0.00 C ATOM 554 CD2 TYR A 432 -4.714 0.084 5.296 1.00 0.00 C ATOM 555 CE1 TYR A 432 -6.163 0.257 7.636 1.00 0.00 C ATOM 556 CE2 TYR A 432 -4.740 -0.986 6.169 1.00 0.00 C ATOM 557 CZ TYR A 432 -5.465 -0.894 7.338 1.00 0.00 C ATOM 558 OH TYR A 432 -5.493 -1.958 8.212 1.00 0.00 O ATOM 0 H TYR A 432 -5.738 0.995 2.274 1.00 0.00 H new ATOM 0 HA TYR A 432 -7.468 2.519 4.136 1.00 0.00 H new ATOM 0 HB2 TYR A 432 -4.429 2.415 4.075 1.00 0.00 H new ATOM 0 HB3 TYR A 432 -5.412 3.351 5.183 1.00 0.00 H new ATOM 0 HD1 TYR A 432 -6.680 2.222 6.994 1.00 0.00 H new ATOM 0 HD2 TYR A 432 -4.144 0.009 4.382 1.00 0.00 H new ATOM 0 HE1 TYR A 432 -6.731 0.326 8.552 1.00 0.00 H new ATOM 0 HE2 TYR A 432 -4.196 -1.889 5.937 1.00 0.00 H new ATOM 0 HH TYR A 432 -4.951 -2.691 7.853 1.00 0.00 H new ATOM 568 N LYS A 433 -6.438 4.805 3.182 1.00 0.00 N ATOM 569 CA LYS A 433 -6.314 6.009 2.370 1.00 0.00 C ATOM 570 C LYS A 433 -6.070 7.236 3.242 1.00 0.00 C ATOM 571 O LYS A 433 -6.730 7.427 4.263 1.00 0.00 O ATOM 572 CB LYS A 433 -7.575 6.214 1.530 1.00 0.00 C ATOM 573 CG LYS A 433 -8.833 6.416 2.359 1.00 0.00 C ATOM 574 CD LYS A 433 -10.048 6.659 1.479 1.00 0.00 C ATOM 575 CE LYS A 433 -11.079 7.528 2.181 1.00 0.00 C ATOM 576 NZ LYS A 433 -12.460 7.250 1.701 1.00 0.00 N ATOM 0 H LYS A 433 -6.570 4.979 4.178 1.00 0.00 H new ATOM 0 HA LYS A 433 -5.458 5.880 1.708 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -7.434 7.080 0.883 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -7.713 5.350 0.880 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -9.004 5.538 2.982 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -8.695 7.263 3.032 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -9.737 7.139 0.551 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -10.499 5.704 1.208 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -11.027 7.356 3.256 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -10.842 8.579 2.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -13.133 7.863 2.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -12.517 7.439 0.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -12.697 6.254 1.883 1.00 0.00 H new ATOM 590 N CYS A 434 -5.117 8.068 2.831 1.00 0.00 N ATOM 591 CA CYS A 434 -4.787 9.279 3.571 1.00 0.00 C ATOM 592 C CYS A 434 -5.876 10.333 3.392 1.00 0.00 C ATOM 593 O CYS A 434 -5.861 11.099 2.429 1.00 0.00 O ATOM 594 CB CYS A 434 -3.440 9.836 3.104 1.00 0.00 C ATOM 595 SG CYS A 434 -2.769 11.137 4.165 1.00 0.00 S ATOM 0 H CYS A 434 -4.560 7.924 1.989 1.00 0.00 H new ATOM 0 HA CYS A 434 -4.719 9.025 4.629 1.00 0.00 H new ATOM 0 HB2 CYS A 434 -2.720 9.019 3.050 1.00 0.00 H new ATOM 0 HB3 CYS A 434 -3.552 10.229 2.093 1.00 0.00 H new ATOM 0 HG CYS A 434 -3.609 12.127 4.221 1.00 0.00 H new ATOM 600 N THR A 435 -6.822 10.362 4.326 1.00 0.00 N ATOM 601 CA THR A 435 -7.923 11.317 4.271 1.00 0.00 C ATOM 602 C THR A 435 -7.592 12.589 5.046 1.00 0.00 C ATOM 603 O THR A 435 -8.154 12.845 6.111 1.00 0.00 O ATOM 604 CB THR A 435 -9.222 10.708 4.831 1.00 0.00 C ATOM 605 OG1 THR A 435 -10.284 11.667 4.759 1.00 0.00 O ATOM 606 CG2 THR A 435 -9.035 10.261 6.274 1.00 0.00 C ATOM 0 H THR A 435 -6.848 9.735 5.130 1.00 0.00 H new ATOM 0 HA THR A 435 -8.071 11.567 3.221 1.00 0.00 H new ATOM 0 HB THR A 435 -9.476 9.837 4.227 1.00 0.00 H new ATOM 0 HG1 THR A 435 -11.107 11.271 5.116 1.00 0.00 H new ATOM 0 HG21 THR A 435 -9.966 9.835 6.646 1.00 0.00 H new ATOM 0 HG22 THR A 435 -8.247 9.510 6.323 1.00 0.00 H new ATOM 0 HG23 THR A 435 -8.758 11.118 6.887 1.00 0.00 H new ATOM 614 N THR A 436 -6.679 13.387 4.501 1.00 0.00 N ATOM 615 CA THR A 436 -6.278 14.635 5.139 1.00 0.00 C ATOM 616 C THR A 436 -6.981 15.828 4.493 1.00 0.00 C ATOM 617 O THR A 436 -7.516 15.716 3.390 1.00 0.00 O ATOM 618 CB THR A 436 -4.750 14.841 5.060 1.00 0.00 C ATOM 619 OG1 THR A 436 -4.133 13.700 4.452 1.00 0.00 O ATOM 620 CG2 THR A 436 -4.159 15.060 6.446 1.00 0.00 C ATOM 0 H THR A 436 -6.204 13.191 3.620 1.00 0.00 H new ATOM 0 HA THR A 436 -6.571 14.568 6.187 1.00 0.00 H new ATOM 0 HB THR A 436 -4.557 15.727 4.455 1.00 0.00 H new ATOM 0 HG1 THR A 436 -3.184 13.887 4.294 1.00 0.00 H new ATOM 0 HG21 THR A 436 -3.082 15.203 6.364 1.00 0.00 H new ATOM 0 HG22 THR A 436 -4.609 15.944 6.898 1.00 0.00 H new ATOM 0 HG23 THR A 436 -4.363 14.190 7.070 1.00 0.00 H new ATOM 628 N PRO A 437 -6.989 16.988 5.172 1.00 0.00 N ATOM 629 CA PRO A 437 -7.632 18.200 4.655 1.00 0.00 C ATOM 630 C PRO A 437 -7.155 18.553 3.250 1.00 0.00 C ATOM 631 O PRO A 437 -6.186 19.294 3.081 1.00 0.00 O ATOM 632 CB PRO A 437 -7.212 19.281 5.654 1.00 0.00 C ATOM 633 CG PRO A 437 -6.928 18.542 6.915 1.00 0.00 C ATOM 634 CD PRO A 437 -6.373 17.210 6.495 1.00 0.00 C ATOM 0 HA PRO A 437 -8.712 18.083 4.566 1.00 0.00 H new ATOM 0 HB2 PRO A 437 -6.332 19.822 5.305 1.00 0.00 H new ATOM 0 HB3 PRO A 437 -8.003 20.017 5.796 1.00 0.00 H new ATOM 0 HG2 PRO A 437 -6.214 19.085 7.534 1.00 0.00 H new ATOM 0 HG3 PRO A 437 -7.834 18.418 7.508 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -5.285 17.229 6.434 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -6.639 16.423 7.200 1.00 0.00 H new ATOM 642 N GLY A 438 -7.839 18.017 2.246 1.00 0.00 N ATOM 643 CA GLY A 438 -7.470 18.287 0.869 1.00 0.00 C ATOM 644 C GLY A 438 -6.732 17.130 0.228 1.00 0.00 C ATOM 645 O GLY A 438 -6.774 16.956 -0.991 1.00 0.00 O ATOM 0 H GLY A 438 -8.643 17.400 2.361 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -8.368 18.505 0.292 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -6.844 19.178 0.832 1.00 0.00 H new ATOM 649 N CYS A 439 -6.051 16.335 1.048 1.00 0.00 N ATOM 650 CA CYS A 439 -5.298 15.189 0.553 1.00 0.00 C ATOM 651 C CYS A 439 -6.194 13.960 0.429 1.00 0.00 C ATOM 652 O CYS A 439 -6.966 13.649 1.335 1.00 0.00 O ATOM 653 CB CYS A 439 -4.123 14.887 1.482 1.00 0.00 C ATOM 654 SG CYS A 439 -3.073 13.521 0.929 1.00 0.00 S ATOM 0 H CYS A 439 -6.006 16.464 2.059 1.00 0.00 H new ATOM 0 HA CYS A 439 -4.915 15.437 -0.437 1.00 0.00 H new ATOM 0 HB2 CYS A 439 -3.512 15.784 1.580 1.00 0.00 H new ATOM 0 HB3 CYS A 439 -4.509 14.655 2.474 1.00 0.00 H new ATOM 0 HG CYS A 439 -2.924 12.668 1.899 1.00 0.00 H new ATOM 659 N GLY A 440 -6.084 13.267 -0.699 1.00 0.00 N ATOM 660 CA GLY A 440 -6.889 12.080 -0.922 1.00 0.00 C ATOM 661 C GLY A 440 -6.087 10.935 -1.510 1.00 0.00 C ATOM 662 O GLY A 440 -6.358 10.488 -2.623 1.00 0.00 O ATOM 0 H GLY A 440 -5.452 13.506 -1.463 1.00 0.00 H new ATOM 0 HA2 GLY A 440 -7.331 11.762 0.022 1.00 0.00 H new ATOM 0 HA3 GLY A 440 -7.713 12.324 -1.593 1.00 0.00 H new ATOM 666 N VAL A 441 -5.095 10.464 -0.760 1.00 0.00 N ATOM 667 CA VAL A 441 -4.250 9.366 -1.216 1.00 0.00 C ATOM 668 C VAL A 441 -4.817 8.018 -0.779 1.00 0.00 C ATOM 669 O VAL A 441 -5.458 7.914 0.267 1.00 0.00 O ATOM 670 CB VAL A 441 -2.811 9.504 -0.680 1.00 0.00 C ATOM 671 CG1 VAL A 441 -1.911 8.434 -1.276 1.00 0.00 C ATOM 672 CG2 VAL A 441 -2.263 10.894 -0.971 1.00 0.00 C ATOM 0 H VAL A 441 -4.857 10.825 0.164 1.00 0.00 H new ATOM 0 HA VAL A 441 -4.230 9.413 -2.305 1.00 0.00 H new ATOM 0 HB VAL A 441 -2.833 9.365 0.401 1.00 0.00 H new ATOM 0 HG11 VAL A 441 -0.900 8.549 -0.885 1.00 0.00 H new ATOM 0 HG12 VAL A 441 -2.293 7.448 -1.010 1.00 0.00 H new ATOM 0 HG13 VAL A 441 -1.894 8.536 -2.361 1.00 0.00 H new ATOM 0 HG21 VAL A 441 -1.247 10.972 -0.585 1.00 0.00 H new ATOM 0 HG22 VAL A 441 -2.257 11.065 -2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 441 -2.893 11.642 -0.489 1.00 0.00 H new ATOM 682 N ARG A 442 -4.575 6.991 -1.585 1.00 0.00 N ATOM 683 CA ARG A 442 -5.061 5.650 -1.280 1.00 0.00 C ATOM 684 C ARG A 442 -3.929 4.630 -1.357 1.00 0.00 C ATOM 685 O ARG A 442 -2.984 4.795 -2.127 1.00 0.00 O ATOM 686 CB ARG A 442 -6.181 5.259 -2.247 1.00 0.00 C ATOM 687 CG ARG A 442 -7.379 6.196 -2.201 1.00 0.00 C ATOM 688 CD ARG A 442 -8.672 5.440 -1.931 1.00 0.00 C ATOM 689 NE ARG A 442 -9.811 6.041 -2.622 1.00 0.00 N ATOM 690 CZ ARG A 442 -10.980 5.428 -2.796 1.00 0.00 C ATOM 691 NH1 ARG A 442 -11.168 4.199 -2.330 1.00 0.00 N ATOM 692 NH2 ARG A 442 -11.963 6.045 -3.437 1.00 0.00 N ATOM 0 H ARG A 442 -4.046 7.061 -2.454 1.00 0.00 H new ATOM 0 HA ARG A 442 -5.453 5.655 -0.263 1.00 0.00 H new ATOM 0 HB2 ARG A 442 -5.784 5.240 -3.262 1.00 0.00 H new ATOM 0 HB3 ARG A 442 -6.513 4.247 -2.016 1.00 0.00 H new ATOM 0 HG2 ARG A 442 -7.226 6.945 -1.424 1.00 0.00 H new ATOM 0 HG3 ARG A 442 -7.460 6.730 -3.148 1.00 0.00 H new ATOM 0 HD2 ARG A 442 -8.560 4.404 -2.250 1.00 0.00 H new ATOM 0 HD3 ARG A 442 -8.866 5.424 -0.858 1.00 0.00 H new ATOM 0 HE ARG A 442 -9.704 6.985 -2.993 1.00 0.00 H new ATOM 0 HH11 ARG A 442 -10.415 3.720 -1.836 1.00 0.00 H new ATOM 0 HH12 ARG A 442 -12.065 3.734 -2.466 1.00 0.00 H new ATOM 0 HH21 ARG A 442 -11.824 6.989 -3.797 1.00 0.00 H new ATOM 0 HH22 ARG A 442 -12.859 5.575 -3.570 1.00 0.00 H new ATOM 706 N LYS A 443 -4.031 3.579 -0.550 1.00 0.00 N ATOM 707 CA LYS A 443 -3.014 2.535 -0.524 1.00 0.00 C ATOM 708 C LYS A 443 -3.646 1.162 -0.316 1.00 0.00 C ATOM 709 O LYS A 443 -4.729 1.046 0.256 1.00 0.00 O ATOM 710 CB LYS A 443 -1.995 2.814 0.581 1.00 0.00 C ATOM 711 CG LYS A 443 -2.590 2.778 1.980 1.00 0.00 C ATOM 712 CD LYS A 443 -1.508 2.800 3.047 1.00 0.00 C ATOM 713 CE LYS A 443 -1.969 2.111 4.321 1.00 0.00 C ATOM 714 NZ LYS A 443 -0.838 1.473 5.050 1.00 0.00 N ATOM 0 H LYS A 443 -4.807 3.428 0.094 1.00 0.00 H new ATOM 0 HA LYS A 443 -2.504 2.536 -1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 443 -1.192 2.079 0.517 1.00 0.00 H new ATOM 0 HB3 LYS A 443 -1.546 3.793 0.411 1.00 0.00 H new ATOM 0 HG2 LYS A 443 -3.254 3.632 2.116 1.00 0.00 H new ATOM 0 HG3 LYS A 443 -3.197 1.880 2.095 1.00 0.00 H new ATOM 0 HD2 LYS A 443 -0.612 2.307 2.669 1.00 0.00 H new ATOM 0 HD3 LYS A 443 -1.235 3.832 3.268 1.00 0.00 H new ATOM 0 HE2 LYS A 443 -2.455 2.838 4.971 1.00 0.00 H new ATOM 0 HE3 LYS A 443 -2.715 1.355 4.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 -1.195 1.015 5.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 -0.389 0.760 4.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 -0.138 2.198 5.308 1.00 0.00 H new ATOM 728 N HIS A 444 -2.958 0.125 -0.783 1.00 0.00 N ATOM 729 CA HIS A 444 -3.451 -1.242 -0.649 1.00 0.00 C ATOM 730 C HIS A 444 -2.419 -2.124 0.050 1.00 0.00 C ATOM 731 O HIS A 444 -1.296 -2.279 -0.428 1.00 0.00 O ATOM 732 CB HIS A 444 -3.789 -1.824 -2.022 1.00 0.00 C ATOM 733 CG HIS A 444 -4.655 -0.928 -2.853 1.00 0.00 C ATOM 734 ND1 HIS A 444 -4.463 -0.741 -4.207 1.00 0.00 N ATOM 735 CD2 HIS A 444 -5.721 -0.165 -2.517 1.00 0.00 C ATOM 736 CE1 HIS A 444 -5.375 0.099 -4.667 1.00 0.00 C ATOM 737 NE2 HIS A 444 -6.149 0.462 -3.661 1.00 0.00 N ATOM 0 H HIS A 444 -2.058 0.205 -1.257 1.00 0.00 H new ATOM 0 HA HIS A 444 -4.356 -1.217 -0.042 1.00 0.00 H new ATOM 0 HB2 HIS A 444 -2.863 -2.024 -2.561 1.00 0.00 H new ATOM 0 HB3 HIS A 444 -4.293 -2.781 -1.888 1.00 0.00 H new ATOM 0 HD2 HIS A 444 -6.154 -0.067 -1.533 1.00 0.00 H new ATOM 0 HE1 HIS A 444 -5.470 0.431 -5.690 1.00 0.00 H new ATOM 0 HE2 HIS A 444 -6.938 1.105 -3.724 1.00 0.00 H new ATOM 746 N VAL A 445 -2.810 -2.698 1.182 1.00 0.00 N ATOM 747 CA VAL A 445 -1.918 -3.564 1.946 1.00 0.00 C ATOM 748 C VAL A 445 -2.227 -5.035 1.687 1.00 0.00 C ATOM 749 O VAL A 445 -3.168 -5.591 2.253 1.00 0.00 O ATOM 750 CB VAL A 445 -2.024 -3.286 3.458 1.00 0.00 C ATOM 751 CG1 VAL A 445 -0.981 -4.086 4.223 1.00 0.00 C ATOM 752 CG2 VAL A 445 -1.879 -1.799 3.741 1.00 0.00 C ATOM 0 H VAL A 445 -3.737 -2.580 1.591 1.00 0.00 H new ATOM 0 HA VAL A 445 -0.903 -3.345 1.615 1.00 0.00 H new ATOM 0 HB VAL A 445 -3.011 -3.601 3.797 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -1.071 -3.876 5.289 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -1.138 -5.150 4.048 1.00 0.00 H new ATOM 0 HG13 VAL A 445 0.015 -3.805 3.881 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -1.957 -1.624 4.814 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -0.908 -1.454 3.386 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -2.669 -1.252 3.226 1.00 0.00 H new ATOM 762 N GLU A 446 -1.428 -5.659 0.827 1.00 0.00 N ATOM 763 CA GLU A 446 -1.615 -7.065 0.492 1.00 0.00 C ATOM 764 C GLU A 446 -0.590 -7.937 1.211 1.00 0.00 C ATOM 765 O GLU A 446 0.585 -7.583 1.300 1.00 0.00 O ATOM 766 CB GLU A 446 -1.506 -7.270 -1.019 1.00 0.00 C ATOM 767 CG GLU A 446 -2.334 -8.435 -1.538 1.00 0.00 C ATOM 768 CD GLU A 446 -1.490 -9.652 -1.865 1.00 0.00 C ATOM 769 OE1 GLU A 446 -0.416 -9.811 -1.247 1.00 0.00 O ATOM 770 OE2 GLU A 446 -1.903 -10.445 -2.737 1.00 0.00 O ATOM 0 H GLU A 446 -0.645 -5.212 0.350 1.00 0.00 H new ATOM 0 HA GLU A 446 -2.611 -7.361 0.820 1.00 0.00 H new ATOM 0 HB2 GLU A 446 -1.822 -6.357 -1.524 1.00 0.00 H new ATOM 0 HB3 GLU A 446 -0.461 -7.434 -1.280 1.00 0.00 H new ATOM 0 HG2 GLU A 446 -3.081 -8.706 -0.792 1.00 0.00 H new ATOM 0 HG3 GLU A 446 -2.875 -8.122 -2.431 1.00 0.00 H new ATOM 777 N ARG A 447 -1.043 -9.077 1.720 1.00 0.00 N ATOM 778 CA ARG A 447 -0.165 -10.000 2.429 1.00 0.00 C ATOM 779 C ARG A 447 0.264 -11.149 1.524 1.00 0.00 C ATOM 780 O ARG A 447 -0.567 -11.929 1.056 1.00 0.00 O ATOM 781 CB ARG A 447 -0.868 -10.552 3.672 1.00 0.00 C ATOM 782 CG ARG A 447 -0.643 -9.713 4.921 1.00 0.00 C ATOM 783 CD ARG A 447 -1.957 -9.255 5.533 1.00 0.00 C ATOM 784 NE ARG A 447 -1.935 -9.325 6.992 1.00 0.00 N ATOM 785 CZ ARG A 447 -3.027 -9.299 7.754 1.00 0.00 C ATOM 786 NH1 ARG A 447 -4.228 -9.208 7.199 1.00 0.00 N ATOM 787 NH2 ARG A 447 -2.915 -9.368 9.072 1.00 0.00 N ATOM 0 H ARG A 447 -2.013 -9.384 1.655 1.00 0.00 H new ATOM 0 HA ARG A 447 0.725 -9.451 2.735 1.00 0.00 H new ATOM 0 HB2 ARG A 447 -1.938 -10.617 3.476 1.00 0.00 H new ATOM 0 HB3 ARG A 447 -0.516 -11.567 3.858 1.00 0.00 H new ATOM 0 HG2 ARG A 447 -0.083 -10.294 5.654 1.00 0.00 H new ATOM 0 HG3 ARG A 447 -0.035 -8.844 4.671 1.00 0.00 H new ATOM 0 HD2 ARG A 447 -2.164 -8.231 5.222 1.00 0.00 H new ATOM 0 HD3 ARG A 447 -2.769 -9.874 5.153 1.00 0.00 H new ATOM 0 HE ARG A 447 -1.029 -9.398 7.455 1.00 0.00 H new ATOM 0 HH11 ARG A 447 -4.318 -9.158 6.184 1.00 0.00 H new ATOM 0 HH12 ARG A 447 -5.061 -9.188 7.787 1.00 0.00 H new ATOM 0 HH21 ARG A 447 -1.993 -9.441 9.502 1.00 0.00 H new ATOM 0 HH22 ARG A 447 -3.751 -9.348 9.657 1.00 0.00 H new ATOM 801 N ALA A 448 1.566 -11.248 1.278 1.00 0.00 N ATOM 802 CA ALA A 448 2.107 -12.302 0.427 1.00 0.00 C ATOM 803 C ALA A 448 2.263 -13.605 1.201 1.00 0.00 C ATOM 804 O ALA A 448 3.006 -13.672 2.181 1.00 0.00 O ATOM 805 CB ALA A 448 3.441 -11.869 -0.163 1.00 0.00 C ATOM 0 H ALA A 448 2.267 -10.611 1.656 1.00 0.00 H new ATOM 0 HA ALA A 448 1.404 -12.478 -0.387 1.00 0.00 H new ATOM 0 HB1 ALA A 448 3.834 -12.664 -0.796 1.00 0.00 H new ATOM 0 HB2 ALA A 448 3.300 -10.967 -0.759 1.00 0.00 H new ATOM 0 HB3 ALA A 448 4.146 -11.665 0.643 1.00 0.00 H new ATOM 811 N ALA A 449 1.556 -14.639 0.756 1.00 0.00 N ATOM 812 CA ALA A 449 1.612 -15.943 1.406 1.00 0.00 C ATOM 813 C ALA A 449 2.834 -16.737 0.952 1.00 0.00 C ATOM 814 O ALA A 449 3.288 -17.645 1.650 1.00 0.00 O ATOM 815 CB ALA A 449 0.339 -16.726 1.123 1.00 0.00 C ATOM 0 H ALA A 449 0.937 -14.599 -0.053 1.00 0.00 H new ATOM 0 HA ALA A 449 1.698 -15.780 2.480 1.00 0.00 H new ATOM 0 HB1 ALA A 449 0.393 -17.698 1.614 1.00 0.00 H new ATOM 0 HB2 ALA A 449 -0.520 -16.174 1.504 1.00 0.00 H new ATOM 0 HB3 ALA A 449 0.231 -16.868 0.048 1.00 0.00 H new ATOM 821 N THR A 450 3.365 -16.391 -0.218 1.00 0.00 N ATOM 822 CA THR A 450 4.535 -17.073 -0.761 1.00 0.00 C ATOM 823 C THR A 450 5.668 -17.129 0.259 1.00 0.00 C ATOM 824 O THR A 450 6.347 -18.147 0.395 1.00 0.00 O ATOM 825 CB THR A 450 5.044 -16.382 -2.039 1.00 0.00 C ATOM 826 OG1 THR A 450 4.801 -14.973 -1.966 1.00 0.00 O ATOM 827 CG2 THR A 450 4.364 -16.955 -3.272 1.00 0.00 C ATOM 0 H THR A 450 3.003 -15.642 -0.808 1.00 0.00 H new ATOM 0 HA THR A 450 4.222 -18.088 -1.004 1.00 0.00 H new ATOM 0 HB THR A 450 6.116 -16.561 -2.118 1.00 0.00 H new ATOM 0 HG1 THR A 450 5.130 -14.542 -2.782 1.00 0.00 H new ATOM 0 HG21 THR A 450 4.740 -16.451 -4.162 1.00 0.00 H new ATOM 0 HG22 THR A 450 4.576 -18.022 -3.342 1.00 0.00 H new ATOM 0 HG23 THR A 450 3.287 -16.804 -3.197 1.00 0.00 H new ATOM 835 N ASP A 451 5.866 -16.027 0.976 1.00 0.00 N ATOM 836 CA ASP A 451 6.916 -15.951 1.986 1.00 0.00 C ATOM 837 C ASP A 451 6.343 -16.186 3.382 1.00 0.00 C ATOM 838 O ASP A 451 5.132 -16.106 3.587 1.00 0.00 O ATOM 839 CB ASP A 451 7.612 -14.589 1.924 1.00 0.00 C ATOM 840 CG ASP A 451 9.111 -14.714 1.735 1.00 0.00 C ATOM 841 OD1 ASP A 451 9.548 -15.690 1.092 1.00 0.00 O ATOM 842 OD2 ASP A 451 9.849 -13.836 2.231 1.00 0.00 O ATOM 0 H ASP A 451 5.314 -15.175 0.876 1.00 0.00 H new ATOM 0 HA ASP A 451 7.647 -16.732 1.779 1.00 0.00 H new ATOM 0 HB2 ASP A 451 7.192 -14.007 1.104 1.00 0.00 H new ATOM 0 HB3 ASP A 451 7.409 -14.038 2.842 1.00 0.00 H new ATOM 847 N PRO A 452 7.211 -16.480 4.366 1.00 0.00 N ATOM 848 CA PRO A 452 6.785 -16.727 5.747 1.00 0.00 C ATOM 849 C PRO A 452 5.882 -15.618 6.281 1.00 0.00 C ATOM 850 O PRO A 452 5.046 -15.853 7.155 1.00 0.00 O ATOM 851 CB PRO A 452 8.102 -16.766 6.524 1.00 0.00 C ATOM 852 CG PRO A 452 9.121 -17.180 5.520 1.00 0.00 C ATOM 853 CD PRO A 452 8.673 -16.596 4.210 1.00 0.00 C ATOM 0 HA PRO A 452 6.197 -17.640 5.835 1.00 0.00 H new ATOM 0 HB2 PRO A 452 8.339 -15.791 6.950 1.00 0.00 H new ATOM 0 HB3 PRO A 452 8.052 -17.473 7.352 1.00 0.00 H new ATOM 0 HG2 PRO A 452 10.110 -16.812 5.793 1.00 0.00 H new ATOM 0 HG3 PRO A 452 9.190 -18.266 5.460 1.00 0.00 H new ATOM 0 HD2 PRO A 452 9.135 -15.626 4.024 1.00 0.00 H new ATOM 0 HD3 PRO A 452 8.937 -17.241 3.372 1.00 0.00 H new ATOM 861 N LYS A 453 6.057 -14.413 5.753 1.00 0.00 N ATOM 862 CA LYS A 453 5.258 -13.267 6.176 1.00 0.00 C ATOM 863 C LYS A 453 5.646 -12.016 5.393 1.00 0.00 C ATOM 864 O LYS A 453 6.338 -11.139 5.910 1.00 0.00 O ATOM 865 CB LYS A 453 5.434 -13.021 7.676 1.00 0.00 C ATOM 866 CG LYS A 453 6.886 -13.039 8.129 1.00 0.00 C ATOM 867 CD LYS A 453 7.096 -13.982 9.303 1.00 0.00 C ATOM 868 CE LYS A 453 8.574 -14.195 9.588 1.00 0.00 C ATOM 869 NZ LYS A 453 8.838 -15.534 10.186 1.00 0.00 N ATOM 0 H LYS A 453 6.745 -14.203 5.030 1.00 0.00 H new ATOM 0 HA LYS A 453 4.211 -13.490 5.973 1.00 0.00 H new ATOM 0 HB2 LYS A 453 4.994 -12.057 7.932 1.00 0.00 H new ATOM 0 HB3 LYS A 453 4.880 -13.781 8.228 1.00 0.00 H new ATOM 0 HG2 LYS A 453 7.523 -13.344 7.299 1.00 0.00 H new ATOM 0 HG3 LYS A 453 7.192 -12.032 8.412 1.00 0.00 H new ATOM 0 HD2 LYS A 453 6.608 -13.576 10.189 1.00 0.00 H new ATOM 0 HD3 LYS A 453 6.623 -14.941 9.090 1.00 0.00 H new ATOM 0 HE2 LYS A 453 9.140 -14.093 8.662 1.00 0.00 H new ATOM 0 HE3 LYS A 453 8.928 -13.419 10.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 9.857 -15.639 10.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 8.318 -15.623 11.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 8.523 -16.276 9.529 1.00 0.00 H new ATOM 883 N ALA A 454 5.195 -11.941 4.145 1.00 0.00 N ATOM 884 CA ALA A 454 5.497 -10.796 3.294 1.00 0.00 C ATOM 885 C ALA A 454 4.362 -9.777 3.319 1.00 0.00 C ATOM 886 O ALA A 454 3.191 -10.138 3.450 1.00 0.00 O ATOM 887 CB ALA A 454 5.764 -11.257 1.868 1.00 0.00 C ATOM 0 H ALA A 454 4.621 -12.658 3.701 1.00 0.00 H new ATOM 0 HA ALA A 454 6.392 -10.311 3.683 1.00 0.00 H new ATOM 0 HB1 ALA A 454 5.988 -10.393 1.242 1.00 0.00 H new ATOM 0 HB2 ALA A 454 6.613 -11.941 1.860 1.00 0.00 H new ATOM 0 HB3 ALA A 454 4.883 -11.767 1.480 1.00 0.00 H new ATOM 893 N VAL A 455 4.716 -8.503 3.194 1.00 0.00 N ATOM 894 CA VAL A 455 3.729 -7.430 3.202 1.00 0.00 C ATOM 895 C VAL A 455 4.000 -6.427 2.086 1.00 0.00 C ATOM 896 O VAL A 455 4.822 -5.523 2.237 1.00 0.00 O ATOM 897 CB VAL A 455 3.715 -6.689 4.551 1.00 0.00 C ATOM 898 CG1 VAL A 455 2.552 -5.711 4.613 1.00 0.00 C ATOM 899 CG2 VAL A 455 3.651 -7.679 5.705 1.00 0.00 C ATOM 0 H VAL A 455 5.680 -8.188 3.086 1.00 0.00 H new ATOM 0 HA VAL A 455 2.756 -7.894 3.042 1.00 0.00 H new ATOM 0 HB VAL A 455 4.641 -6.121 4.641 1.00 0.00 H new ATOM 0 HG11 VAL A 455 2.560 -5.197 5.574 1.00 0.00 H new ATOM 0 HG12 VAL A 455 2.648 -4.980 3.810 1.00 0.00 H new ATOM 0 HG13 VAL A 455 1.614 -6.254 4.499 1.00 0.00 H new ATOM 0 HG21 VAL A 455 3.642 -7.136 6.650 1.00 0.00 H new ATOM 0 HG22 VAL A 455 2.744 -8.277 5.621 1.00 0.00 H new ATOM 0 HG23 VAL A 455 4.522 -8.334 5.671 1.00 0.00 H new ATOM 909 N VAL A 456 3.305 -6.595 0.966 1.00 0.00 N ATOM 910 CA VAL A 456 3.470 -5.703 -0.176 1.00 0.00 C ATOM 911 C VAL A 456 2.432 -4.587 -0.159 1.00 0.00 C ATOM 912 O VAL A 456 1.232 -4.843 -0.056 1.00 0.00 O ATOM 913 CB VAL A 456 3.366 -6.473 -1.508 1.00 0.00 C ATOM 914 CG1 VAL A 456 1.984 -7.093 -1.665 1.00 0.00 C ATOM 915 CG2 VAL A 456 3.686 -5.561 -2.683 1.00 0.00 C ATOM 0 H VAL A 456 2.623 -7.340 0.825 1.00 0.00 H new ATOM 0 HA VAL A 456 4.465 -5.266 -0.096 1.00 0.00 H new ATOM 0 HB VAL A 456 4.100 -7.279 -1.494 1.00 0.00 H new ATOM 0 HG11 VAL A 456 1.932 -7.631 -2.611 1.00 0.00 H new ATOM 0 HG12 VAL A 456 1.800 -7.785 -0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 456 1.229 -6.307 -1.653 1.00 0.00 H new ATOM 0 HG21 VAL A 456 3.607 -6.124 -3.613 1.00 0.00 H new ATOM 0 HG22 VAL A 456 2.981 -4.730 -2.701 1.00 0.00 H new ATOM 0 HG23 VAL A 456 4.700 -5.175 -2.578 1.00 0.00 H new ATOM 925 N THR A 457 2.902 -3.347 -0.260 1.00 0.00 N ATOM 926 CA THR A 457 2.016 -2.191 -0.258 1.00 0.00 C ATOM 927 C THR A 457 2.004 -1.504 -1.618 1.00 0.00 C ATOM 928 O THR A 457 2.924 -1.674 -2.417 1.00 0.00 O ATOM 929 CB THR A 457 2.430 -1.167 0.817 1.00 0.00 C ATOM 930 OG1 THR A 457 2.893 -1.848 1.989 1.00 0.00 O ATOM 931 CG2 THR A 457 1.263 -0.261 1.179 1.00 0.00 C ATOM 0 H THR A 457 3.893 -3.119 -0.344 1.00 0.00 H new ATOM 0 HA THR A 457 1.016 -2.561 -0.032 1.00 0.00 H new ATOM 0 HB THR A 457 3.234 -0.553 0.412 1.00 0.00 H new ATOM 0 HG1 THR A 457 3.156 -1.191 2.667 1.00 0.00 H new ATOM 0 HG21 THR A 457 1.579 0.453 1.939 1.00 0.00 H new ATOM 0 HG22 THR A 457 0.931 0.277 0.291 1.00 0.00 H new ATOM 0 HG23 THR A 457 0.441 -0.863 1.566 1.00 0.00 H new ATOM 939 N THR A 458 0.956 -0.728 -1.875 1.00 0.00 N ATOM 940 CA THR A 458 0.825 -0.015 -3.139 1.00 0.00 C ATOM 941 C THR A 458 0.242 1.378 -2.928 1.00 0.00 C ATOM 942 O THR A 458 -0.968 1.539 -2.773 1.00 0.00 O ATOM 943 CB THR A 458 -0.067 -0.786 -4.130 1.00 0.00 C ATOM 944 OG1 THR A 458 0.275 -2.177 -4.119 1.00 0.00 O ATOM 945 CG2 THR A 458 0.089 -0.234 -5.540 1.00 0.00 C ATOM 0 H THR A 458 0.185 -0.577 -1.224 1.00 0.00 H new ATOM 0 HA THR A 458 1.828 0.073 -3.556 1.00 0.00 H new ATOM 0 HB THR A 458 -1.105 -0.664 -3.820 1.00 0.00 H new ATOM 0 HG1 THR A 458 -0.298 -2.660 -4.751 1.00 0.00 H new ATOM 0 HG21 THR A 458 -0.550 -0.794 -6.223 1.00 0.00 H new ATOM 0 HG22 THR A 458 -0.199 0.817 -5.553 1.00 0.00 H new ATOM 0 HG23 THR A 458 1.128 -0.330 -5.855 1.00 0.00 H new ATOM 953 N TYR A 459 1.112 2.383 -2.921 1.00 0.00 N ATOM 954 CA TYR A 459 0.684 3.763 -2.728 1.00 0.00 C ATOM 955 C TYR A 459 0.190 4.368 -4.037 1.00 0.00 C ATOM 956 O TYR A 459 0.796 4.172 -5.090 1.00 0.00 O ATOM 957 CB TYR A 459 1.835 4.601 -2.165 1.00 0.00 C ATOM 958 CG TYR A 459 2.065 4.397 -0.685 1.00 0.00 C ATOM 959 CD1 TYR A 459 2.610 3.214 -0.205 1.00 0.00 C ATOM 960 CD2 TYR A 459 1.738 5.389 0.231 1.00 0.00 C ATOM 961 CE1 TYR A 459 2.823 3.023 1.147 1.00 0.00 C ATOM 962 CE2 TYR A 459 1.947 5.207 1.585 1.00 0.00 C ATOM 963 CZ TYR A 459 2.490 4.023 2.038 1.00 0.00 C ATOM 964 OH TYR A 459 2.702 3.837 3.385 1.00 0.00 O ATOM 0 H TYR A 459 2.118 2.267 -3.047 1.00 0.00 H new ATOM 0 HA TYR A 459 -0.141 3.766 -2.015 1.00 0.00 H new ATOM 0 HB2 TYR A 459 2.750 4.355 -2.704 1.00 0.00 H new ATOM 0 HB3 TYR A 459 1.630 5.655 -2.350 1.00 0.00 H new ATOM 0 HD1 TYR A 459 2.872 2.430 -0.900 1.00 0.00 H new ATOM 0 HD2 TYR A 459 1.313 6.318 -0.121 1.00 0.00 H new ATOM 0 HE1 TYR A 459 3.248 2.096 1.504 1.00 0.00 H new ATOM 0 HE2 TYR A 459 1.687 5.988 2.284 1.00 0.00 H new ATOM 0 HH TYR A 459 2.415 4.636 3.875 1.00 0.00 H new ATOM 974 N GLU A 460 -0.914 5.104 -3.965 1.00 0.00 N ATOM 975 CA GLU A 460 -1.490 5.738 -5.145 1.00 0.00 C ATOM 976 C GLU A 460 -1.948 7.158 -4.829 1.00 0.00 C ATOM 977 O GLU A 460 -3.002 7.363 -4.229 1.00 0.00 O ATOM 978 CB GLU A 460 -2.668 4.914 -5.667 1.00 0.00 C ATOM 979 CG GLU A 460 -2.249 3.632 -6.367 1.00 0.00 C ATOM 980 CD GLU A 460 -2.376 3.721 -7.875 1.00 0.00 C ATOM 981 OE1 GLU A 460 -3.389 4.276 -8.354 1.00 0.00 O ATOM 982 OE2 GLU A 460 -1.464 3.238 -8.579 1.00 0.00 O ATOM 0 H GLU A 460 -1.428 5.276 -3.101 1.00 0.00 H new ATOM 0 HA GLU A 460 -0.720 5.786 -5.915 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -3.325 4.665 -4.833 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -3.249 5.523 -6.359 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -1.216 3.401 -6.106 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -2.861 2.807 -6.003 1.00 0.00 H new ATOM 989 N GLY A 461 -1.150 8.139 -5.242 1.00 0.00 N ATOM 990 CA GLY A 461 -1.491 9.527 -4.998 1.00 0.00 C ATOM 991 C GLY A 461 -0.395 10.274 -4.262 1.00 0.00 C ATOM 992 O GLY A 461 0.331 9.690 -3.458 1.00 0.00 O ATOM 0 H GLY A 461 -0.272 7.996 -5.742 1.00 0.00 H new ATOM 0 HA2 GLY A 461 -1.688 10.022 -5.949 1.00 0.00 H new ATOM 0 HA3 GLY A 461 -2.412 9.575 -4.417 1.00 0.00 H new ATOM 996 N LYS A 462 -0.276 11.569 -4.541 1.00 0.00 N ATOM 997 CA LYS A 462 0.740 12.396 -3.901 1.00 0.00 C ATOM 998 C LYS A 462 0.128 13.249 -2.794 1.00 0.00 C ATOM 999 O LYS A 462 -0.942 13.831 -2.964 1.00 0.00 O ATOM 1000 CB LYS A 462 1.419 13.296 -4.937 1.00 0.00 C ATOM 1001 CG LYS A 462 2.613 12.645 -5.617 1.00 0.00 C ATOM 1002 CD LYS A 462 2.211 11.954 -6.909 1.00 0.00 C ATOM 1003 CE LYS A 462 2.859 10.585 -7.036 1.00 0.00 C ATOM 1004 NZ LYS A 462 2.604 9.970 -8.367 1.00 0.00 N ATOM 0 H LYS A 462 -0.870 12.067 -5.205 1.00 0.00 H new ATOM 0 HA LYS A 462 1.485 11.736 -3.457 1.00 0.00 H new ATOM 0 HB2 LYS A 462 0.689 13.579 -5.695 1.00 0.00 H new ATOM 0 HB3 LYS A 462 1.745 14.215 -4.450 1.00 0.00 H new ATOM 0 HG2 LYS A 462 3.369 13.401 -5.828 1.00 0.00 H new ATOM 0 HG3 LYS A 462 3.067 11.920 -4.941 1.00 0.00 H new ATOM 0 HD2 LYS A 462 1.127 11.849 -6.944 1.00 0.00 H new ATOM 0 HD3 LYS A 462 2.499 12.574 -7.758 1.00 0.00 H new ATOM 0 HE2 LYS A 462 3.934 10.676 -6.879 1.00 0.00 H new ATOM 0 HE3 LYS A 462 2.477 9.929 -6.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 462 3.063 9.038 -8.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 462 1.580 9.859 -8.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 462 2.991 10.583 -9.113 1.00 0.00 H new ATOM 1018 N HIS A 463 0.817 13.317 -1.659 1.00 0.00 N ATOM 1019 CA HIS A 463 0.344 14.098 -0.523 1.00 0.00 C ATOM 1020 C HIS A 463 0.338 15.588 -0.850 1.00 0.00 C ATOM 1021 O HIS A 463 1.292 16.112 -1.423 1.00 0.00 O ATOM 1022 CB HIS A 463 1.221 13.838 0.703 1.00 0.00 C ATOM 1023 CG HIS A 463 1.185 12.417 1.174 1.00 0.00 C ATOM 1024 ND1 HIS A 463 0.173 11.908 1.959 1.00 0.00 N ATOM 1025 CD2 HIS A 463 2.047 11.391 0.964 1.00 0.00 C ATOM 1026 CE1 HIS A 463 0.411 10.634 2.214 1.00 0.00 C ATOM 1027 NE2 HIS A 463 1.541 10.296 1.622 1.00 0.00 N ATOM 0 H HIS A 463 1.705 12.840 -1.502 1.00 0.00 H new ATOM 0 HA HIS A 463 -0.678 13.788 -0.303 1.00 0.00 H new ATOM 0 HB2 HIS A 463 2.250 14.108 0.467 1.00 0.00 H new ATOM 0 HB3 HIS A 463 0.899 14.490 1.515 1.00 0.00 H new ATOM 0 HD2 HIS A 463 2.960 11.428 0.388 1.00 0.00 H new ATOM 0 HE1 HIS A 463 -0.213 9.981 2.806 1.00 0.00 H new ATOM 0 HE2 HIS A 463 1.970 9.371 1.649 1.00 0.00 H new ATOM 1035 N ASN A 464 -0.747 16.265 -0.484 1.00 0.00 N ATOM 1036 CA ASN A 464 -0.877 17.695 -0.738 1.00 0.00 C ATOM 1037 C ASN A 464 -0.795 18.489 0.561 1.00 0.00 C ATOM 1038 O ASN A 464 -1.410 19.546 0.694 1.00 0.00 O ATOM 1039 CB ASN A 464 -2.201 17.989 -1.446 1.00 0.00 C ATOM 1040 CG ASN A 464 -2.068 17.959 -2.956 1.00 0.00 C ATOM 1041 OD1 ASN A 464 -1.684 18.948 -3.577 1.00 0.00 O ATOM 1042 ND2 ASN A 464 -2.388 16.817 -3.554 1.00 0.00 N ATOM 0 H ASN A 464 -1.548 15.846 -0.011 1.00 0.00 H new ATOM 0 HA ASN A 464 -0.052 18.001 -1.381 1.00 0.00 H new ATOM 0 HB2 ASN A 464 -2.947 17.257 -1.135 1.00 0.00 H new ATOM 0 HB3 ASN A 464 -2.566 18.968 -1.136 1.00 0.00 H new ATOM 0 HD21 ASN A 464 -2.320 16.736 -4.568 1.00 0.00 H new ATOM 0 HD22 ASN A 464 -2.702 16.021 -2.999 1.00 0.00 H new ATOM 1049 N HIS A 465 -0.029 17.973 1.517 1.00 0.00 N ATOM 1050 CA HIS A 465 0.134 18.636 2.806 1.00 0.00 C ATOM 1051 C HIS A 465 1.521 18.370 3.382 1.00 0.00 C ATOM 1052 O HIS A 465 2.261 17.523 2.883 1.00 0.00 O ATOM 1053 CB HIS A 465 -0.937 18.160 3.788 1.00 0.00 C ATOM 1054 CG HIS A 465 -0.911 16.683 4.035 1.00 0.00 C ATOM 1055 ND1 HIS A 465 -0.484 16.125 5.222 1.00 0.00 N ATOM 1056 CD2 HIS A 465 -1.266 15.644 3.241 1.00 0.00 C ATOM 1057 CE1 HIS A 465 -0.576 14.809 5.147 1.00 0.00 C ATOM 1058 NE2 HIS A 465 -1.048 14.492 3.956 1.00 0.00 N ATOM 0 H HIS A 465 0.488 17.099 1.424 1.00 0.00 H new ATOM 0 HA HIS A 465 0.023 19.709 2.651 1.00 0.00 H new ATOM 0 HB2 HIS A 465 -0.805 18.681 4.736 1.00 0.00 H new ATOM 0 HB3 HIS A 465 -1.919 18.439 3.405 1.00 0.00 H new ATOM 0 HD2 HIS A 465 -1.649 15.710 2.233 1.00 0.00 H new ATOM 0 HE1 HIS A 465 -0.310 14.111 5.928 1.00 0.00 H new ATOM 0 HE2 HIS A 465 -1.223 13.545 3.621 1.00 0.00 H new