USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=15 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 -67:sc= 1.18 USER MOD Set 1.2: A 436 THR OG1 : rot 174:sc= 0.152 USER MOD Set 1.3: A 439 CYS SG : rot -123:sc= -5.4! USER MOD Set 1.4: A 463 HIS : no HD1:sc= 0 X(o=-4.4,f=-4.4) USER MOD Set 1.5: A 465 HIS : no HD1:sc= -0.307 X(o=-4.4,f=-4.2) USER MOD Set 2.1: A 420 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 431 TYR OH : rot 30:sc= 0 USER MOD Single : A 412 TYR OH : rot 180:sc= 0 USER MOD Single : A 416 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 417 TYR OH : rot 180:sc= 0 USER MOD Single : A 419 GLN : amide:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 425 ASN : amide:sc= -0.588 K(o=-0.59,f=-3.4!) 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 432 TYR OH : rot 180:sc= -0.666 USER MOD Single : A 433 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 435 THR OG1 : rot 64:sc= 1.14 USER MOD Single : A 443 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 444 HIS : no HD1:sc= -0.56 X(o=-0.56,f=-0.44) USER MOD Single : A 450 THR OG1 : rot 180:sc= 0.0432 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+ -155:sc= -0.246 (180deg=-0.992) USER MOD Single : A 464 ASN : amide:sc= -0.389 K(o=-0.39,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 185 N TYR A 412 0.970 10.388 8.845 1.00 0.00 N ATOM 186 CA TYR A 412 -0.198 10.524 7.983 1.00 0.00 C ATOM 187 C TYR A 412 -1.437 9.932 8.646 1.00 0.00 C ATOM 188 O TYR A 412 -1.338 9.218 9.644 1.00 0.00 O ATOM 189 CB TYR A 412 0.051 9.836 6.639 1.00 0.00 C ATOM 190 CG TYR A 412 1.391 10.172 6.025 1.00 0.00 C ATOM 191 CD1 TYR A 412 1.841 11.485 5.964 1.00 0.00 C ATOM 192 CD2 TYR A 412 2.209 9.175 5.507 1.00 0.00 C ATOM 193 CE1 TYR A 412 3.065 11.797 5.403 1.00 0.00 C ATOM 194 CE2 TYR A 412 3.435 9.478 4.945 1.00 0.00 C ATOM 195 CZ TYR A 412 3.858 10.789 4.895 1.00 0.00 C ATOM 196 OH TYR A 412 5.077 11.094 4.336 1.00 0.00 O ATOM 0 HA TYR A 412 -0.371 11.587 7.814 1.00 0.00 H new ATOM 0 HB2 TYR A 412 -0.016 8.757 6.775 1.00 0.00 H new ATOM 0 HB3 TYR A 412 -0.739 10.119 5.944 1.00 0.00 H new ATOM 0 HD1 TYR A 412 1.223 12.276 6.362 1.00 0.00 H new ATOM 0 HD2 TYR A 412 1.881 8.147 5.544 1.00 0.00 H new ATOM 0 HE1 TYR A 412 3.398 12.823 5.363 1.00 0.00 H new ATOM 0 HE2 TYR A 412 4.059 8.691 4.547 1.00 0.00 H new ATOM 0 HH TYR A 412 5.510 10.271 4.027 1.00 0.00 H new ATOM 206 N ARG A 413 -2.604 10.233 8.084 1.00 0.00 N ATOM 207 CA ARG A 413 -3.863 9.730 8.621 1.00 0.00 C ATOM 208 C ARG A 413 -4.655 8.992 7.545 1.00 0.00 C ATOM 209 O ARG A 413 -5.197 9.607 6.628 1.00 0.00 O ATOM 210 CB ARG A 413 -4.696 10.882 9.187 1.00 0.00 C ATOM 211 CG ARG A 413 -4.800 10.868 10.705 1.00 0.00 C ATOM 212 CD ARG A 413 -4.215 12.128 11.321 1.00 0.00 C ATOM 213 NE ARG A 413 -4.872 13.335 10.825 1.00 0.00 N ATOM 214 CZ ARG A 413 -4.425 14.569 11.050 1.00 0.00 C ATOM 215 NH1 ARG A 413 -3.322 14.763 11.762 1.00 0.00 N ATOM 216 NH2 ARG A 413 -5.084 15.611 10.563 1.00 0.00 N ATOM 0 H ARG A 413 -2.703 10.822 7.257 1.00 0.00 H new ATOM 0 HA ARG A 413 -3.635 9.029 9.424 1.00 0.00 H new ATOM 0 HB2 ARG A 413 -4.256 11.828 8.870 1.00 0.00 H new ATOM 0 HB3 ARG A 413 -5.699 10.838 8.762 1.00 0.00 H new ATOM 0 HG2 ARG A 413 -5.846 10.772 10.997 1.00 0.00 H new ATOM 0 HG3 ARG A 413 -4.278 9.995 11.097 1.00 0.00 H new ATOM 0 HD2 ARG A 413 -4.314 12.081 12.406 1.00 0.00 H new ATOM 0 HD3 ARG A 413 -3.149 12.178 11.100 1.00 0.00 H new ATOM 0 HE ARG A 413 -5.723 13.226 10.274 1.00 0.00 H new ATOM 0 HH11 ARG A 413 -2.812 13.965 12.140 1.00 0.00 H new ATOM 0 HH12 ARG A 413 -2.984 15.710 11.931 1.00 0.00 H new ATOM 0 HH21 ARG A 413 -5.933 15.467 10.016 1.00 0.00 H new ATOM 0 HH22 ARG A 413 -4.742 16.556 10.735 1.00 0.00 H new ATOM 230 N TRP A 414 -4.715 7.670 7.665 1.00 0.00 N ATOM 231 CA TRP A 414 -5.439 6.847 6.703 1.00 0.00 C ATOM 232 C TRP A 414 -6.762 6.365 7.287 1.00 0.00 C ATOM 233 O TRP A 414 -6.920 6.279 8.505 1.00 0.00 O ATOM 234 CB TRP A 414 -4.587 5.649 6.281 1.00 0.00 C ATOM 235 CG TRP A 414 -3.181 6.018 5.917 1.00 0.00 C ATOM 236 CD1 TRP A 414 -2.152 6.272 6.779 1.00 0.00 C ATOM 237 CD2 TRP A 414 -2.650 6.175 4.597 1.00 0.00 C ATOM 238 NE1 TRP A 414 -1.013 6.578 6.073 1.00 0.00 N ATOM 239 CE2 TRP A 414 -1.293 6.525 4.733 1.00 0.00 C ATOM 240 CE3 TRP A 414 -3.189 6.054 3.313 1.00 0.00 C ATOM 241 CZ2 TRP A 414 -0.469 6.754 3.633 1.00 0.00 C ATOM 242 CZ3 TRP A 414 -2.370 6.282 2.223 1.00 0.00 C ATOM 243 CH2 TRP A 414 -1.024 6.628 2.389 1.00 0.00 C ATOM 0 H TRP A 414 -4.271 7.146 8.419 1.00 0.00 H new ATOM 0 HA TRP A 414 -5.651 7.459 5.826 1.00 0.00 H new ATOM 0 HB2 TRP A 414 -4.566 4.923 7.094 1.00 0.00 H new ATOM 0 HB3 TRP A 414 -5.059 5.159 5.429 1.00 0.00 H new ATOM 0 HD1 TRP A 414 -2.223 6.237 7.856 1.00 0.00 H new ATOM 0 HE1 TRP A 414 -0.107 6.807 6.481 1.00 0.00 H new ATOM 0 HE3 TRP A 414 -4.226 5.787 3.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 414 0.570 7.021 3.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 414 -2.776 6.192 1.226 1.00 0.00 H new ATOM 0 HH2 TRP A 414 -0.411 6.799 1.517 1.00 0.00 H new ATOM 254 N ARG A 415 -7.709 6.049 6.410 1.00 0.00 N ATOM 255 CA ARG A 415 -9.020 5.574 6.839 1.00 0.00 C ATOM 256 C ARG A 415 -9.460 4.371 6.007 1.00 0.00 C ATOM 257 O ARG A 415 -9.279 4.347 4.790 1.00 0.00 O ATOM 258 CB ARG A 415 -10.056 6.696 6.728 1.00 0.00 C ATOM 259 CG ARG A 415 -10.634 7.123 8.068 1.00 0.00 C ATOM 260 CD ARG A 415 -12.155 7.130 8.045 1.00 0.00 C ATOM 261 NE ARG A 415 -12.682 7.800 6.858 1.00 0.00 N ATOM 262 CZ ARG A 415 -13.979 7.995 6.631 1.00 0.00 C ATOM 263 NH1 ARG A 415 -14.884 7.574 7.507 1.00 0.00 N ATOM 264 NH2 ARG A 415 -14.372 8.614 5.527 1.00 0.00 N ATOM 0 H ARG A 415 -7.594 6.113 5.399 1.00 0.00 H new ATOM 0 HA ARG A 415 -8.944 5.264 7.881 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -9.595 7.559 6.249 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -10.868 6.367 6.079 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -10.284 6.446 8.848 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -10.269 8.118 8.322 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -12.523 6.104 8.075 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -12.529 7.629 8.939 1.00 0.00 H new ATOM 0 HE ARG A 415 -12.017 8.138 6.163 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -14.587 7.099 8.359 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -15.877 7.726 7.328 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -13.681 8.941 4.852 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -15.366 8.764 5.352 1.00 0.00 H new ATOM 278 N LYS A 416 -10.036 3.377 6.674 1.00 0.00 N ATOM 279 CA LYS A 416 -10.500 2.172 5.997 1.00 0.00 C ATOM 280 C LYS A 416 -11.851 2.410 5.329 1.00 0.00 C ATOM 281 O LYS A 416 -12.807 2.838 5.973 1.00 0.00 O ATOM 282 CB LYS A 416 -10.607 1.013 6.989 1.00 0.00 C ATOM 283 CG LYS A 416 -10.677 -0.353 6.324 1.00 0.00 C ATOM 284 CD LYS A 416 -9.997 -1.418 7.168 1.00 0.00 C ATOM 285 CE LYS A 416 -10.515 -2.808 6.835 1.00 0.00 C ATOM 286 NZ LYS A 416 -10.606 -3.673 8.044 1.00 0.00 N ATOM 0 H LYS A 416 -10.193 3.382 7.682 1.00 0.00 H new ATOM 0 HA LYS A 416 -9.773 1.916 5.226 1.00 0.00 H new ATOM 0 HB2 LYS A 416 -9.747 1.038 7.659 1.00 0.00 H new ATOM 0 HB3 LYS A 416 -11.495 1.154 7.605 1.00 0.00 H new ATOM 0 HG2 LYS A 416 -11.719 -0.627 6.161 1.00 0.00 H new ATOM 0 HG3 LYS A 416 -10.203 -0.306 5.344 1.00 0.00 H new ATOM 0 HD2 LYS A 416 -8.920 -1.381 7.004 1.00 0.00 H new ATOM 0 HD3 LYS A 416 -10.166 -1.209 8.224 1.00 0.00 H new ATOM 0 HE2 LYS A 416 -11.498 -2.727 6.372 1.00 0.00 H new ATOM 0 HE3 LYS A 416 -9.856 -3.275 6.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 416 -10.963 -4.611 7.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 416 -9.663 -3.772 8.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 416 -11.255 -3.241 8.732 1.00 0.00 H new ATOM 300 N TYR A 417 -11.920 2.132 4.031 1.00 0.00 N ATOM 301 CA TYR A 417 -13.153 2.315 3.274 1.00 0.00 C ATOM 302 C TYR A 417 -13.699 0.977 2.789 1.00 0.00 C ATOM 303 O TYR A 417 -14.911 0.766 2.752 1.00 0.00 O ATOM 304 CB TYR A 417 -12.908 3.244 2.081 1.00 0.00 C ATOM 305 CG TYR A 417 -11.959 2.674 1.052 1.00 0.00 C ATOM 306 CD1 TYR A 417 -10.583 2.813 1.196 1.00 0.00 C ATOM 307 CD2 TYR A 417 -12.437 1.998 -0.064 1.00 0.00 C ATOM 308 CE1 TYR A 417 -9.713 2.293 0.256 1.00 0.00 C ATOM 309 CE2 TYR A 417 -11.573 1.476 -1.006 1.00 0.00 C ATOM 310 CZ TYR A 417 -10.212 1.626 -0.842 1.00 0.00 C ATOM 311 OH TYR A 417 -9.348 1.107 -1.779 1.00 0.00 O ATOM 0 H TYR A 417 -11.136 1.779 3.482 1.00 0.00 H new ATOM 0 HA TYR A 417 -13.892 2.768 3.934 1.00 0.00 H new ATOM 0 HB2 TYR A 417 -13.862 3.463 1.601 1.00 0.00 H new ATOM 0 HB3 TYR A 417 -12.509 4.191 2.445 1.00 0.00 H new ATOM 0 HD1 TYR A 417 -10.188 3.335 2.055 1.00 0.00 H new ATOM 0 HD2 TYR A 417 -13.502 1.879 -0.197 1.00 0.00 H new ATOM 0 HE1 TYR A 417 -8.647 2.409 0.382 1.00 0.00 H new ATOM 0 HE2 TYR A 417 -11.961 0.953 -1.867 1.00 0.00 H new ATOM 0 HH TYR A 417 -9.861 0.667 -2.489 1.00 0.00 H new ATOM 321 N GLY A 418 -12.796 0.075 2.417 1.00 0.00 N ATOM 322 CA GLY A 418 -13.207 -1.232 1.940 1.00 0.00 C ATOM 323 C GLY A 418 -12.225 -2.324 2.316 1.00 0.00 C ATOM 324 O GLY A 418 -11.120 -2.040 2.778 1.00 0.00 O ATOM 0 H GLY A 418 -11.787 0.226 2.438 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -14.188 -1.473 2.351 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -13.314 -1.202 0.856 1.00 0.00 H new ATOM 328 N GLN A 419 -12.629 -3.574 2.120 1.00 0.00 N ATOM 329 CA GLN A 419 -11.776 -4.711 2.442 1.00 0.00 C ATOM 330 C GLN A 419 -12.246 -5.967 1.716 1.00 0.00 C ATOM 331 O GLN A 419 -13.446 -6.180 1.539 1.00 0.00 O ATOM 332 CB GLN A 419 -11.765 -4.956 3.953 1.00 0.00 C ATOM 333 CG GLN A 419 -13.139 -5.249 4.530 1.00 0.00 C ATOM 334 CD GLN A 419 -13.073 -6.060 5.812 1.00 0.00 C ATOM 335 OE1 GLN A 419 -12.656 -7.218 5.806 1.00 0.00 O ATOM 336 NE2 GLN A 419 -13.485 -5.451 6.918 1.00 0.00 N ATOM 0 H GLN A 419 -13.542 -3.825 1.740 1.00 0.00 H new ATOM 0 HA GLN A 419 -10.764 -4.479 2.111 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -11.102 -5.793 4.172 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -11.349 -4.080 4.452 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -13.655 -4.309 4.725 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -13.731 -5.790 3.792 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -13.823 -4.490 6.875 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -13.464 -5.945 7.810 1.00 0.00 H new ATOM 345 N LYS A 420 -11.295 -6.794 1.296 1.00 0.00 N ATOM 346 CA LYS A 420 -11.613 -8.030 0.587 1.00 0.00 C ATOM 347 C LYS A 420 -10.978 -9.232 1.280 1.00 0.00 C ATOM 348 O LYS A 420 -9.853 -9.155 1.773 1.00 0.00 O ATOM 349 CB LYS A 420 -11.134 -7.948 -0.862 1.00 0.00 C ATOM 350 CG LYS A 420 -12.105 -7.230 -1.784 1.00 0.00 C ATOM 351 CD LYS A 420 -12.110 -7.844 -3.176 1.00 0.00 C ATOM 352 CE LYS A 420 -10.748 -7.731 -3.840 1.00 0.00 C ATOM 353 NZ LYS A 420 -10.700 -6.617 -4.828 1.00 0.00 N ATOM 0 H LYS A 420 -10.297 -6.632 1.434 1.00 0.00 H new ATOM 0 HA LYS A 420 -12.695 -8.159 0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 420 -10.173 -7.435 -0.890 1.00 0.00 H new ATOM 0 HB3 LYS A 420 -10.967 -8.957 -1.238 1.00 0.00 H new ATOM 0 HG2 LYS A 420 -13.109 -7.274 -1.362 1.00 0.00 H new ATOM 0 HG3 LYS A 420 -11.833 -6.176 -1.851 1.00 0.00 H new ATOM 0 HD2 LYS A 420 -12.398 -8.893 -3.111 1.00 0.00 H new ATOM 0 HD3 LYS A 420 -12.859 -7.346 -3.792 1.00 0.00 H new ATOM 0 HE2 LYS A 420 -9.985 -7.573 -3.078 1.00 0.00 H new ATOM 0 HE3 LYS A 420 -10.509 -8.670 -4.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 -9.754 -6.575 -5.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 -11.410 -6.780 -5.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 -10.902 -5.717 -4.347 1.00 0.00 H new ATOM 367 N VAL A 421 -11.707 -10.342 1.311 1.00 0.00 N ATOM 368 CA VAL A 421 -11.217 -11.561 1.942 1.00 0.00 C ATOM 369 C VAL A 421 -10.681 -12.539 0.902 1.00 0.00 C ATOM 370 O VAL A 421 -11.332 -12.809 -0.107 1.00 0.00 O ATOM 371 CB VAL A 421 -12.322 -12.252 2.766 1.00 0.00 C ATOM 372 CG1 VAL A 421 -13.485 -12.658 1.871 1.00 0.00 C ATOM 373 CG2 VAL A 421 -11.766 -13.457 3.508 1.00 0.00 C ATOM 0 H VAL A 421 -12.640 -10.422 0.906 1.00 0.00 H new ATOM 0 HA VAL A 421 -10.408 -11.269 2.612 1.00 0.00 H new ATOM 0 HB VAL A 421 -12.693 -11.541 3.504 1.00 0.00 H new ATOM 0 HG11 VAL A 421 -14.254 -13.144 2.472 1.00 0.00 H new ATOM 0 HG12 VAL A 421 -13.903 -11.772 1.394 1.00 0.00 H new ATOM 0 HG13 VAL A 421 -13.131 -13.349 1.106 1.00 0.00 H new ATOM 0 HG21 VAL A 421 -12.562 -13.930 4.083 1.00 0.00 H new ATOM 0 HG22 VAL A 421 -11.363 -14.172 2.791 1.00 0.00 H new ATOM 0 HG23 VAL A 421 -10.973 -13.135 4.183 1.00 0.00 H new ATOM 383 N VAL A 422 -9.487 -13.069 1.153 1.00 0.00 N ATOM 384 CA VAL A 422 -8.863 -14.017 0.239 1.00 0.00 C ATOM 385 C VAL A 422 -8.800 -15.412 0.853 1.00 0.00 C ATOM 386 O VAL A 422 -8.166 -15.618 1.888 1.00 0.00 O ATOM 387 CB VAL A 422 -7.438 -13.574 -0.144 1.00 0.00 C ATOM 388 CG1 VAL A 422 -6.882 -14.460 -1.248 1.00 0.00 C ATOM 389 CG2 VAL A 422 -7.429 -12.113 -0.568 1.00 0.00 C ATOM 0 H VAL A 422 -8.933 -12.857 1.983 1.00 0.00 H new ATOM 0 HA VAL A 422 -9.481 -14.044 -0.658 1.00 0.00 H new ATOM 0 HB VAL A 422 -6.797 -13.678 0.731 1.00 0.00 H new ATOM 0 HG11 VAL A 422 -5.875 -14.132 -1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 422 -6.850 -15.494 -0.904 1.00 0.00 H new ATOM 0 HG13 VAL A 422 -7.522 -14.390 -2.128 1.00 0.00 H new ATOM 0 HG21 VAL A 422 -6.414 -11.818 -0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 422 -8.084 -11.980 -1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 422 -7.782 -11.493 0.256 1.00 0.00 H new ATOM 399 N LYS A 423 -9.462 -16.367 0.208 1.00 0.00 N ATOM 400 CA LYS A 423 -9.480 -17.743 0.690 1.00 0.00 C ATOM 401 C LYS A 423 -8.068 -18.315 0.759 1.00 0.00 C ATOM 402 O LYS A 423 -7.209 -17.976 -0.053 1.00 0.00 O ATOM 403 CB LYS A 423 -10.352 -18.613 -0.220 1.00 0.00 C ATOM 404 CG LYS A 423 -9.921 -18.590 -1.677 1.00 0.00 C ATOM 405 CD LYS A 423 -8.791 -19.571 -1.942 1.00 0.00 C ATOM 406 CE LYS A 423 -8.938 -20.241 -3.299 1.00 0.00 C ATOM 407 NZ LYS A 423 -9.397 -21.651 -3.175 1.00 0.00 N ATOM 0 H LYS A 423 -9.993 -16.213 -0.649 1.00 0.00 H new ATOM 0 HA LYS A 423 -9.902 -17.744 1.695 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -10.327 -19.641 0.141 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -11.386 -18.275 -0.150 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -10.772 -18.834 -2.313 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -9.600 -17.584 -1.946 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -7.836 -19.048 -1.895 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -8.777 -20.330 -1.160 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -9.649 -19.680 -3.906 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -7.982 -20.215 -3.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -9.485 -22.072 -4.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -8.706 -22.193 -2.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -10.321 -21.675 -2.699 1.00 0.00 H new ATOM 421 N GLY A 424 -7.836 -19.186 1.737 1.00 0.00 N ATOM 422 CA GLY A 424 -6.526 -19.791 1.895 1.00 0.00 C ATOM 423 C GLY A 424 -5.563 -18.902 2.655 1.00 0.00 C ATOM 424 O GLY A 424 -5.028 -19.297 3.691 1.00 0.00 O ATOM 0 H GLY A 424 -8.531 -19.483 2.422 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -6.629 -20.741 2.419 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -6.111 -20.013 0.912 1.00 0.00 H new ATOM 428 N ASN A 425 -5.340 -17.696 2.140 1.00 0.00 N ATOM 429 CA ASN A 425 -4.434 -16.749 2.777 1.00 0.00 C ATOM 430 C ASN A 425 -4.962 -16.329 4.149 1.00 0.00 C ATOM 431 O ASN A 425 -6.123 -15.942 4.280 1.00 0.00 O ATOM 432 CB ASN A 425 -4.247 -15.517 1.891 1.00 0.00 C ATOM 433 CG ASN A 425 -3.175 -15.718 0.839 1.00 0.00 C ATOM 434 OD1 ASN A 425 -2.474 -16.730 0.834 1.00 0.00 O ATOM 435 ND2 ASN A 425 -3.040 -14.751 -0.062 1.00 0.00 N ATOM 0 H ASN A 425 -5.775 -17.353 1.284 1.00 0.00 H new ATOM 0 HA ASN A 425 -3.470 -17.240 2.913 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -5.191 -15.278 1.402 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -3.985 -14.662 2.514 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -2.334 -14.831 -0.794 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -3.642 -13.929 -0.022 1.00 0.00 H new ATOM 442 N PRO A 426 -4.116 -16.398 5.194 1.00 0.00 N ATOM 443 CA PRO A 426 -4.512 -16.021 6.552 1.00 0.00 C ATOM 444 C PRO A 426 -4.602 -14.510 6.733 1.00 0.00 C ATOM 445 O PRO A 426 -5.374 -14.016 7.553 1.00 0.00 O ATOM 446 CB PRO A 426 -3.389 -16.596 7.416 1.00 0.00 C ATOM 447 CG PRO A 426 -2.196 -16.594 6.526 1.00 0.00 C ATOM 448 CD PRO A 426 -2.711 -16.849 5.134 1.00 0.00 C ATOM 0 HA PRO A 426 -5.503 -16.396 6.808 1.00 0.00 H new ATOM 0 HB2 PRO A 426 -3.222 -15.988 8.305 1.00 0.00 H new ATOM 0 HB3 PRO A 426 -3.627 -17.603 7.758 1.00 0.00 H new ATOM 0 HG2 PRO A 426 -1.672 -15.639 6.579 1.00 0.00 H new ATOM 0 HG3 PRO A 426 -1.485 -17.364 6.826 1.00 0.00 H new ATOM 0 HD2 PRO A 426 -2.143 -16.292 4.388 1.00 0.00 H new ATOM 0 HD3 PRO A 426 -2.640 -17.903 4.867 1.00 0.00 H new ATOM 456 N TYR A 427 -3.802 -13.781 5.960 1.00 0.00 N ATOM 457 CA TYR A 427 -3.790 -12.324 6.034 1.00 0.00 C ATOM 458 C TYR A 427 -4.709 -11.716 4.975 1.00 0.00 C ATOM 459 O TYR A 427 -4.400 -11.750 3.784 1.00 0.00 O ATOM 460 CB TYR A 427 -2.365 -11.799 5.848 1.00 0.00 C ATOM 461 CG TYR A 427 -1.416 -12.219 6.947 1.00 0.00 C ATOM 462 CD1 TYR A 427 -1.651 -11.860 8.269 1.00 0.00 C ATOM 463 CD2 TYR A 427 -0.285 -12.974 6.663 1.00 0.00 C ATOM 464 CE1 TYR A 427 -0.784 -12.242 9.276 1.00 0.00 C ATOM 465 CE2 TYR A 427 0.585 -13.360 7.665 1.00 0.00 C ATOM 466 CZ TYR A 427 0.332 -12.991 8.969 1.00 0.00 C ATOM 467 OH TYR A 427 1.195 -13.374 9.970 1.00 0.00 O ATOM 0 H TYR A 427 -3.155 -14.175 5.277 1.00 0.00 H new ATOM 0 HA TYR A 427 -4.156 -12.031 7.018 1.00 0.00 H new ATOM 0 HB2 TYR A 427 -1.979 -12.152 4.892 1.00 0.00 H new ATOM 0 HB3 TYR A 427 -2.392 -10.710 5.799 1.00 0.00 H new ATOM 0 HD1 TYR A 427 -2.524 -11.274 8.513 1.00 0.00 H new ATOM 0 HD2 TYR A 427 -0.082 -13.264 5.643 1.00 0.00 H new ATOM 0 HE1 TYR A 427 -0.980 -11.955 10.299 1.00 0.00 H new ATOM 0 HE2 TYR A 427 1.459 -13.948 7.428 1.00 0.00 H new ATOM 0 HH TYR A 427 1.929 -13.897 9.586 1.00 0.00 H new ATOM 477 N PRO A 428 -5.855 -11.146 5.392 1.00 0.00 N ATOM 478 CA PRO A 428 -6.810 -10.531 4.464 1.00 0.00 C ATOM 479 C PRO A 428 -6.256 -9.264 3.819 1.00 0.00 C ATOM 480 O PRO A 428 -5.176 -8.797 4.177 1.00 0.00 O ATOM 481 CB PRO A 428 -8.012 -10.199 5.351 1.00 0.00 C ATOM 482 CG PRO A 428 -7.449 -10.077 6.725 1.00 0.00 C ATOM 483 CD PRO A 428 -6.310 -11.055 6.792 1.00 0.00 C ATOM 0 HA PRO A 428 -7.051 -11.193 3.632 1.00 0.00 H new ATOM 0 HB2 PRO A 428 -8.492 -9.272 5.036 1.00 0.00 H new ATOM 0 HB3 PRO A 428 -8.768 -10.982 5.302 1.00 0.00 H new ATOM 0 HG2 PRO A 428 -7.103 -9.061 6.917 1.00 0.00 H new ATOM 0 HG3 PRO A 428 -8.204 -10.304 7.478 1.00 0.00 H new ATOM 0 HD2 PRO A 428 -5.516 -10.703 7.450 1.00 0.00 H new ATOM 0 HD3 PRO A 428 -6.634 -12.024 7.173 1.00 0.00 H new ATOM 491 N ARG A 429 -7.004 -8.715 2.869 1.00 0.00 N ATOM 492 CA ARG A 429 -6.587 -7.501 2.176 1.00 0.00 C ATOM 493 C ARG A 429 -7.258 -6.271 2.777 1.00 0.00 C ATOM 494 O ARG A 429 -8.420 -5.982 2.489 1.00 0.00 O ATOM 495 CB ARG A 429 -6.918 -7.602 0.684 1.00 0.00 C ATOM 496 CG ARG A 429 -5.727 -7.993 -0.178 1.00 0.00 C ATOM 497 CD ARG A 429 -6.157 -8.812 -1.384 1.00 0.00 C ATOM 498 NE ARG A 429 -5.324 -8.542 -2.554 1.00 0.00 N ATOM 499 CZ ARG A 429 -5.241 -9.350 -3.609 1.00 0.00 C ATOM 500 NH1 ARG A 429 -5.937 -10.480 -3.644 1.00 0.00 N ATOM 501 NH2 ARG A 429 -4.460 -9.026 -4.630 1.00 0.00 N ATOM 0 H ARG A 429 -7.901 -9.090 2.561 1.00 0.00 H new ATOM 0 HA ARG A 429 -5.509 -7.396 2.296 1.00 0.00 H new ATOM 0 HB2 ARG A 429 -7.713 -8.335 0.545 1.00 0.00 H new ATOM 0 HB3 ARG A 429 -7.306 -6.643 0.340 1.00 0.00 H new ATOM 0 HG2 ARG A 429 -5.209 -7.095 -0.513 1.00 0.00 H new ATOM 0 HG3 ARG A 429 -5.018 -8.567 0.418 1.00 0.00 H new ATOM 0 HD2 ARG A 429 -6.105 -9.873 -1.139 1.00 0.00 H new ATOM 0 HD3 ARG A 429 -7.198 -8.590 -1.621 1.00 0.00 H new ATOM 0 HE ARG A 429 -4.773 -7.683 -2.563 1.00 0.00 H new ATOM 0 HH11 ARG A 429 -6.539 -10.733 -2.860 1.00 0.00 H new ATOM 0 HH12 ARG A 429 -5.870 -11.095 -4.455 1.00 0.00 H new ATOM 0 HH21 ARG A 429 -3.924 -8.159 -4.607 1.00 0.00 H new ATOM 0 HH22 ARG A 429 -4.395 -9.644 -5.439 1.00 0.00 H new ATOM 515 N SER A 430 -6.519 -5.549 3.614 1.00 0.00 N ATOM 516 CA SER A 430 -7.042 -4.349 4.254 1.00 0.00 C ATOM 517 C SER A 430 -6.687 -3.105 3.448 1.00 0.00 C ATOM 518 O SER A 430 -5.514 -2.745 3.328 1.00 0.00 O ATOM 519 CB SER A 430 -6.493 -4.223 5.676 1.00 0.00 C ATOM 520 OG SER A 430 -6.858 -5.343 6.465 1.00 0.00 O ATOM 0 H SER A 430 -5.556 -5.775 3.864 1.00 0.00 H new ATOM 0 HA SER A 430 -8.128 -4.435 4.298 1.00 0.00 H new ATOM 0 HB2 SER A 430 -5.407 -4.136 5.643 1.00 0.00 H new ATOM 0 HB3 SER A 430 -6.873 -3.311 6.136 1.00 0.00 H new ATOM 0 HG SER A 430 -6.494 -5.239 7.369 1.00 0.00 H new ATOM 526 N TYR A 431 -7.702 -2.452 2.895 1.00 0.00 N ATOM 527 CA TYR A 431 -7.495 -1.250 2.096 1.00 0.00 C ATOM 528 C TYR A 431 -7.694 0.007 2.938 1.00 0.00 C ATOM 529 O TYR A 431 -8.499 0.024 3.868 1.00 0.00 O ATOM 530 CB TYR A 431 -8.451 -1.233 0.902 1.00 0.00 C ATOM 531 CG TYR A 431 -8.367 -2.473 0.040 1.00 0.00 C ATOM 532 CD1 TYR A 431 -7.160 -2.869 -0.523 1.00 0.00 C ATOM 533 CD2 TYR A 431 -9.493 -3.247 -0.211 1.00 0.00 C ATOM 534 CE1 TYR A 431 -7.078 -4.001 -1.311 1.00 0.00 C ATOM 535 CE2 TYR A 431 -9.419 -4.380 -0.999 1.00 0.00 C ATOM 536 CZ TYR A 431 -8.209 -4.752 -1.547 1.00 0.00 C ATOM 537 OH TYR A 431 -8.131 -5.879 -2.331 1.00 0.00 O ATOM 0 H TYR A 431 -8.678 -2.735 2.985 1.00 0.00 H new ATOM 0 HA TYR A 431 -6.468 -1.262 1.731 1.00 0.00 H new ATOM 0 HB2 TYR A 431 -9.472 -1.123 1.267 1.00 0.00 H new ATOM 0 HB3 TYR A 431 -8.236 -0.359 0.288 1.00 0.00 H new ATOM 0 HD1 TYR A 431 -6.271 -2.282 -0.342 1.00 0.00 H new ATOM 0 HD2 TYR A 431 -10.442 -2.959 0.217 1.00 0.00 H new ATOM 0 HE1 TYR A 431 -6.132 -4.296 -1.740 1.00 0.00 H new ATOM 0 HE2 TYR A 431 -10.304 -4.971 -1.185 1.00 0.00 H new ATOM 0 HH TYR A 431 -7.238 -6.274 -2.247 1.00 0.00 H new ATOM 547 N TYR A 432 -6.954 1.058 2.602 1.00 0.00 N ATOM 548 CA TYR A 432 -7.046 2.323 3.322 1.00 0.00 C ATOM 549 C TYR A 432 -6.779 3.499 2.388 1.00 0.00 C ATOM 550 O TYR A 432 -6.559 3.315 1.192 1.00 0.00 O ATOM 551 CB TYR A 432 -6.052 2.347 4.486 1.00 0.00 C ATOM 552 CG TYR A 432 -6.192 1.170 5.425 1.00 0.00 C ATOM 553 CD1 TYR A 432 -5.585 -0.047 5.139 1.00 0.00 C ATOM 554 CD2 TYR A 432 -6.930 1.275 6.598 1.00 0.00 C ATOM 555 CE1 TYR A 432 -5.711 -1.124 5.994 1.00 0.00 C ATOM 556 CE2 TYR A 432 -7.060 0.203 7.457 1.00 0.00 C ATOM 557 CZ TYR A 432 -6.448 -0.995 7.152 1.00 0.00 C ATOM 558 OH TYR A 432 -6.575 -2.067 8.006 1.00 0.00 O ATOM 0 H TYR A 432 -6.283 1.059 1.834 1.00 0.00 H new ATOM 0 HA TYR A 432 -8.058 2.415 3.716 1.00 0.00 H new ATOM 0 HB2 TYR A 432 -5.038 2.364 4.087 1.00 0.00 H new ATOM 0 HB3 TYR A 432 -6.188 3.270 5.050 1.00 0.00 H new ATOM 0 HD1 TYR A 432 -5.006 -0.152 4.234 1.00 0.00 H new ATOM 0 HD2 TYR A 432 -7.410 2.211 6.841 1.00 0.00 H new ATOM 0 HE1 TYR A 432 -5.234 -2.064 5.757 1.00 0.00 H new ATOM 0 HE2 TYR A 432 -7.638 0.301 8.364 1.00 0.00 H new ATOM 0 HH TYR A 432 -7.125 -1.809 8.775 1.00 0.00 H new ATOM 568 N LYS A 433 -6.803 4.708 2.942 1.00 0.00 N ATOM 569 CA LYS A 433 -6.564 5.910 2.152 1.00 0.00 C ATOM 570 C LYS A 433 -6.332 7.119 3.052 1.00 0.00 C ATOM 571 O LYS A 433 -7.070 7.343 4.011 1.00 0.00 O ATOM 572 CB LYS A 433 -7.748 6.175 1.220 1.00 0.00 C ATOM 573 CG LYS A 433 -9.080 6.280 1.943 1.00 0.00 C ATOM 574 CD LYS A 433 -9.997 7.295 1.279 1.00 0.00 C ATOM 575 CE LYS A 433 -11.436 7.133 1.742 1.00 0.00 C ATOM 576 NZ LYS A 433 -12.262 6.400 0.744 1.00 0.00 N ATOM 0 H LYS A 433 -6.985 4.880 3.931 1.00 0.00 H new ATOM 0 HA LYS A 433 -5.667 5.748 1.555 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -7.568 7.100 0.672 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -7.806 5.374 0.483 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -9.565 5.304 1.957 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -8.910 6.566 2.981 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -9.652 8.303 1.508 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -9.947 7.179 0.196 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -11.454 6.597 2.691 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -11.872 8.116 1.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -13.236 6.311 1.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -12.267 6.924 -0.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -11.861 5.453 0.590 1.00 0.00 H new ATOM 590 N CYS A 434 -5.301 7.895 2.736 1.00 0.00 N ATOM 591 CA CYS A 434 -4.972 9.084 3.514 1.00 0.00 C ATOM 592 C CYS A 434 -6.056 10.146 3.359 1.00 0.00 C ATOM 593 O CYS A 434 -6.106 10.853 2.351 1.00 0.00 O ATOM 594 CB CYS A 434 -3.619 9.648 3.077 1.00 0.00 C ATOM 595 SG CYS A 434 -2.951 10.911 4.185 1.00 0.00 S ATOM 0 H CYS A 434 -4.679 7.722 1.947 1.00 0.00 H new ATOM 0 HA CYS A 434 -4.913 8.799 4.564 1.00 0.00 H new ATOM 0 HB2 CYS A 434 -2.903 8.829 3.004 1.00 0.00 H new ATOM 0 HB3 CYS A 434 -3.720 10.073 2.078 1.00 0.00 H new ATOM 0 HG CYS A 434 -3.703 11.970 4.139 1.00 0.00 H new ATOM 600 N THR A 435 -6.925 10.248 4.360 1.00 0.00 N ATOM 601 CA THR A 435 -8.013 11.218 4.337 1.00 0.00 C ATOM 602 C THR A 435 -7.651 12.477 5.119 1.00 0.00 C ATOM 603 O THR A 435 -8.216 12.747 6.180 1.00 0.00 O ATOM 604 CB THR A 435 -9.311 10.620 4.913 1.00 0.00 C ATOM 605 OG1 THR A 435 -9.192 10.471 6.332 1.00 0.00 O ATOM 606 CG2 THR A 435 -9.611 9.269 4.282 1.00 0.00 C ATOM 0 H THR A 435 -6.896 9.669 5.199 1.00 0.00 H new ATOM 0 HA THR A 435 -8.177 11.482 3.292 1.00 0.00 H new ATOM 0 HB THR A 435 -10.131 11.301 4.685 1.00 0.00 H new ATOM 0 HG1 THR A 435 -9.097 11.354 6.747 1.00 0.00 H new ATOM 0 HG21 THR A 435 -10.532 8.867 4.704 1.00 0.00 H new ATOM 0 HG22 THR A 435 -9.728 9.388 3.205 1.00 0.00 H new ATOM 0 HG23 THR A 435 -8.789 8.582 4.484 1.00 0.00 H new ATOM 614 N THR A 436 -6.708 13.248 4.587 1.00 0.00 N ATOM 615 CA THR A 436 -6.274 14.481 5.232 1.00 0.00 C ATOM 616 C THR A 436 -6.934 15.695 4.579 1.00 0.00 C ATOM 617 O THR A 436 -7.260 15.669 3.393 1.00 0.00 O ATOM 618 CB THR A 436 -4.739 14.639 5.166 1.00 0.00 C ATOM 619 OG1 THR A 436 -4.164 13.542 4.446 1.00 0.00 O ATOM 620 CG2 THR A 436 -4.133 14.702 6.561 1.00 0.00 C ATOM 0 H THR A 436 -6.230 13.040 3.710 1.00 0.00 H new ATOM 0 HA THR A 436 -6.577 14.423 6.277 1.00 0.00 H new ATOM 0 HB THR A 436 -4.519 15.574 4.650 1.00 0.00 H new ATOM 0 HG1 THR A 436 -3.204 13.697 4.326 1.00 0.00 H new ATOM 0 HG21 THR A 436 -3.051 14.813 6.483 1.00 0.00 H new ATOM 0 HG22 THR A 436 -4.548 15.554 7.100 1.00 0.00 H new ATOM 0 HG23 THR A 436 -4.365 13.784 7.100 1.00 0.00 H new ATOM 628 N PRO A 437 -7.138 16.782 5.346 1.00 0.00 N ATOM 629 CA PRO A 437 -7.761 18.006 4.832 1.00 0.00 C ATOM 630 C PRO A 437 -7.060 18.522 3.581 1.00 0.00 C ATOM 631 O PRO A 437 -6.108 19.301 3.665 1.00 0.00 O ATOM 632 CB PRO A 437 -7.617 19.010 5.986 1.00 0.00 C ATOM 633 CG PRO A 437 -6.644 18.394 6.936 1.00 0.00 C ATOM 634 CD PRO A 437 -6.781 16.909 6.764 1.00 0.00 C ATOM 0 HA PRO A 437 -8.796 17.839 4.535 1.00 0.00 H new ATOM 0 HB2 PRO A 437 -7.256 19.973 5.625 1.00 0.00 H new ATOM 0 HB3 PRO A 437 -8.577 19.191 6.470 1.00 0.00 H new ATOM 0 HG2 PRO A 437 -5.627 18.720 6.718 1.00 0.00 H new ATOM 0 HG3 PRO A 437 -6.861 18.689 7.963 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -5.853 16.387 6.997 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -7.551 16.495 7.415 1.00 0.00 H new ATOM 642 N GLY A 438 -7.534 18.083 2.419 1.00 0.00 N ATOM 643 CA GLY A 438 -6.941 18.507 1.165 1.00 0.00 C ATOM 644 C GLY A 438 -6.212 17.380 0.461 1.00 0.00 C ATOM 645 O GLY A 438 -6.057 17.402 -0.762 1.00 0.00 O ATOM 0 H GLY A 438 -8.320 17.440 2.324 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -7.721 18.896 0.511 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -6.245 19.325 1.353 1.00 0.00 H new ATOM 649 N CYS A 439 -5.764 16.395 1.231 1.00 0.00 N ATOM 650 CA CYS A 439 -5.045 15.254 0.675 1.00 0.00 C ATOM 651 C CYS A 439 -5.973 14.053 0.515 1.00 0.00 C ATOM 652 O CYS A 439 -6.663 13.658 1.455 1.00 0.00 O ATOM 653 CB CYS A 439 -3.862 14.885 1.573 1.00 0.00 C ATOM 654 SG CYS A 439 -2.920 13.448 1.010 1.00 0.00 S ATOM 0 H CYS A 439 -5.886 16.363 2.243 1.00 0.00 H new ATOM 0 HA CYS A 439 -4.671 15.535 -0.310 1.00 0.00 H new ATOM 0 HB2 CYS A 439 -3.191 15.741 1.640 1.00 0.00 H new ATOM 0 HB3 CYS A 439 -4.232 14.691 2.580 1.00 0.00 H new ATOM 0 HG CYS A 439 -2.902 12.547 1.947 1.00 0.00 H new ATOM 659 N GLY A 440 -5.981 13.475 -0.681 1.00 0.00 N ATOM 660 CA GLY A 440 -6.822 12.323 -0.947 1.00 0.00 C ATOM 661 C GLY A 440 -6.042 11.169 -1.547 1.00 0.00 C ATOM 662 O GLY A 440 -6.284 10.776 -2.687 1.00 0.00 O ATOM 0 H GLY A 440 -5.418 13.785 -1.473 1.00 0.00 H new ATOM 0 HA2 GLY A 440 -7.293 11.997 -0.019 1.00 0.00 H new ATOM 0 HA3 GLY A 440 -7.623 12.610 -1.628 1.00 0.00 H new ATOM 666 N VAL A 441 -5.098 10.631 -0.779 1.00 0.00 N ATOM 667 CA VAL A 441 -4.278 9.520 -1.246 1.00 0.00 C ATOM 668 C VAL A 441 -4.896 8.177 -0.868 1.00 0.00 C ATOM 669 O VAL A 441 -5.652 8.079 0.097 1.00 0.00 O ATOM 670 CB VAL A 441 -2.851 9.596 -0.669 1.00 0.00 C ATOM 671 CG1 VAL A 441 -1.967 8.518 -1.279 1.00 0.00 C ATOM 672 CG2 VAL A 441 -2.253 10.976 -0.898 1.00 0.00 C ATOM 0 H VAL A 441 -4.883 10.946 0.167 1.00 0.00 H new ATOM 0 HA VAL A 441 -4.230 9.599 -2.332 1.00 0.00 H new ATOM 0 HB VAL A 441 -2.907 9.423 0.406 1.00 0.00 H new ATOM 0 HG11 VAL A 441 -0.964 8.589 -0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 441 -2.385 7.536 -1.057 1.00 0.00 H new ATOM 0 HG13 VAL A 441 -1.918 8.656 -2.359 1.00 0.00 H new ATOM 0 HG21 VAL A 441 -1.245 11.009 -0.483 1.00 0.00 H new ATOM 0 HG22 VAL A 441 -2.212 11.182 -1.968 1.00 0.00 H new ATOM 0 HG23 VAL A 441 -2.872 11.727 -0.407 1.00 0.00 H new ATOM 682 N ARG A 442 -4.565 7.146 -1.639 1.00 0.00 N ATOM 683 CA ARG A 442 -5.083 5.805 -1.388 1.00 0.00 C ATOM 684 C ARG A 442 -3.953 4.781 -1.381 1.00 0.00 C ATOM 685 O ARG A 442 -2.913 4.985 -2.008 1.00 0.00 O ATOM 686 CB ARG A 442 -6.120 5.431 -2.448 1.00 0.00 C ATOM 687 CG ARG A 442 -7.390 6.266 -2.381 1.00 0.00 C ATOM 688 CD ARG A 442 -8.633 5.393 -2.353 1.00 0.00 C ATOM 689 NE ARG A 442 -9.011 4.935 -3.688 1.00 0.00 N ATOM 690 CZ ARG A 442 -9.664 5.686 -4.572 1.00 0.00 C ATOM 691 NH1 ARG A 442 -10.011 6.930 -4.268 1.00 0.00 N ATOM 692 NH2 ARG A 442 -9.969 5.191 -5.764 1.00 0.00 N ATOM 0 H ARG A 442 -3.941 7.213 -2.443 1.00 0.00 H new ATOM 0 HA ARG A 442 -5.559 5.802 -0.408 1.00 0.00 H new ATOM 0 HB2 ARG A 442 -5.674 5.543 -3.436 1.00 0.00 H new ATOM 0 HB3 ARG A 442 -6.381 4.379 -2.333 1.00 0.00 H new ATOM 0 HG2 ARG A 442 -7.366 6.895 -1.491 1.00 0.00 H new ATOM 0 HG3 ARG A 442 -7.433 6.934 -3.242 1.00 0.00 H new ATOM 0 HD2 ARG A 442 -8.456 4.530 -1.711 1.00 0.00 H new ATOM 0 HD3 ARG A 442 -9.459 5.953 -1.914 1.00 0.00 H new ATOM 0 HE ARG A 442 -8.760 3.984 -3.958 1.00 0.00 H new ATOM 0 HH11 ARG A 442 -9.777 7.315 -3.353 1.00 0.00 H new ATOM 0 HH12 ARG A 442 -10.511 7.501 -4.949 1.00 0.00 H new ATOM 0 HH21 ARG A 442 -9.703 4.236 -6.003 1.00 0.00 H new ATOM 0 HH22 ARG A 442 -10.469 5.766 -6.442 1.00 0.00 H new ATOM 706 N LYS A 443 -4.161 3.678 -0.666 1.00 0.00 N ATOM 707 CA LYS A 443 -3.158 2.626 -0.578 1.00 0.00 C ATOM 708 C LYS A 443 -3.814 1.259 -0.396 1.00 0.00 C ATOM 709 O LYS A 443 -5.005 1.166 -0.097 1.00 0.00 O ATOM 710 CB LYS A 443 -2.199 2.902 0.582 1.00 0.00 C ATOM 711 CG LYS A 443 -2.864 2.851 1.948 1.00 0.00 C ATOM 712 CD LYS A 443 -1.853 3.039 3.068 1.00 0.00 C ATOM 713 CE LYS A 443 -2.388 2.523 4.393 1.00 0.00 C ATOM 714 NZ LYS A 443 -1.312 1.927 5.233 1.00 0.00 N ATOM 0 H LYS A 443 -5.015 3.492 -0.140 1.00 0.00 H new ATOM 0 HA LYS A 443 -2.596 2.617 -1.512 1.00 0.00 H new ATOM 0 HB2 LYS A 443 -1.389 2.173 0.554 1.00 0.00 H new ATOM 0 HB3 LYS A 443 -1.748 3.885 0.443 1.00 0.00 H new ATOM 0 HG2 LYS A 443 -3.627 3.627 2.011 1.00 0.00 H new ATOM 0 HG3 LYS A 443 -3.371 1.894 2.071 1.00 0.00 H new ATOM 0 HD2 LYS A 443 -0.930 2.515 2.818 1.00 0.00 H new ATOM 0 HD3 LYS A 443 -1.604 4.096 3.162 1.00 0.00 H new ATOM 0 HE2 LYS A 443 -2.862 3.341 4.936 1.00 0.00 H new ATOM 0 HE3 LYS A 443 -3.159 1.775 4.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 -1.718 1.587 6.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 -0.877 1.130 4.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 -0.589 2.647 5.433 1.00 0.00 H new ATOM 728 N HIS A 444 -3.028 0.203 -0.575 1.00 0.00 N ATOM 729 CA HIS A 444 -3.528 -1.158 -0.429 1.00 0.00 C ATOM 730 C HIS A 444 -2.544 -2.015 0.359 1.00 0.00 C ATOM 731 O HIS A 444 -1.330 -1.909 0.180 1.00 0.00 O ATOM 732 CB HIS A 444 -3.779 -1.782 -1.803 1.00 0.00 C ATOM 733 CG HIS A 444 -4.521 -0.884 -2.743 1.00 0.00 C ATOM 734 ND1 HIS A 444 -3.909 -0.199 -3.771 1.00 0.00 N ATOM 735 CD2 HIS A 444 -5.834 -0.561 -2.807 1.00 0.00 C ATOM 736 CE1 HIS A 444 -4.814 0.506 -4.427 1.00 0.00 C ATOM 737 NE2 HIS A 444 -5.989 0.304 -3.863 1.00 0.00 N ATOM 0 H HIS A 444 -2.040 0.264 -0.822 1.00 0.00 H new ATOM 0 HA HIS A 444 -4.469 -1.117 0.120 1.00 0.00 H new ATOM 0 HB2 HIS A 444 -2.822 -2.052 -2.250 1.00 0.00 H new ATOM 0 HB3 HIS A 444 -4.343 -2.706 -1.675 1.00 0.00 H new ATOM 0 HD2 HIS A 444 -6.614 -0.917 -2.150 1.00 0.00 H new ATOM 0 HE1 HIS A 444 -4.624 1.140 -5.280 1.00 0.00 H new ATOM 0 HE2 HIS A 444 -6.870 0.722 -4.162 1.00 0.00 H new ATOM 746 N VAL A 445 -3.073 -2.866 1.233 1.00 0.00 N ATOM 747 CA VAL A 445 -2.239 -3.741 2.049 1.00 0.00 C ATOM 748 C VAL A 445 -2.462 -5.206 1.690 1.00 0.00 C ATOM 749 O VAL A 445 -3.578 -5.717 1.790 1.00 0.00 O ATOM 750 CB VAL A 445 -2.519 -3.543 3.550 1.00 0.00 C ATOM 751 CG1 VAL A 445 -1.509 -4.311 4.389 1.00 0.00 C ATOM 752 CG2 VAL A 445 -2.505 -2.065 3.908 1.00 0.00 C ATOM 0 H VAL A 445 -4.075 -2.968 1.394 1.00 0.00 H new ATOM 0 HA VAL A 445 -1.203 -3.474 1.842 1.00 0.00 H new ATOM 0 HB VAL A 445 -3.512 -3.936 3.768 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -1.724 -4.158 5.447 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -1.575 -5.374 4.155 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -0.504 -3.952 4.167 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -2.705 -1.947 4.973 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -1.528 -1.643 3.673 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -3.272 -1.545 3.335 1.00 0.00 H new ATOM 762 N GLU A 446 -1.394 -5.877 1.272 1.00 0.00 N ATOM 763 CA GLU A 446 -1.471 -7.284 0.899 1.00 0.00 C ATOM 764 C GLU A 446 -0.303 -8.068 1.486 1.00 0.00 C ATOM 765 O GLU A 446 0.839 -7.917 1.054 1.00 0.00 O ATOM 766 CB GLU A 446 -1.484 -7.429 -0.624 1.00 0.00 C ATOM 767 CG GLU A 446 -2.115 -8.724 -1.107 1.00 0.00 C ATOM 768 CD GLU A 446 -1.084 -9.744 -1.554 1.00 0.00 C ATOM 769 OE1 GLU A 446 -0.656 -9.680 -2.726 1.00 0.00 O ATOM 770 OE2 GLU A 446 -0.705 -10.603 -0.732 1.00 0.00 O ATOM 0 H GLU A 446 -0.464 -5.468 1.183 1.00 0.00 H new ATOM 0 HA GLU A 446 -2.397 -7.691 1.304 1.00 0.00 H new ATOM 0 HB2 GLU A 446 -2.026 -6.588 -1.056 1.00 0.00 H new ATOM 0 HB3 GLU A 446 -0.460 -7.373 -0.995 1.00 0.00 H new ATOM 0 HG2 GLU A 446 -2.719 -9.150 -0.306 1.00 0.00 H new ATOM 0 HG3 GLU A 446 -2.790 -8.508 -1.935 1.00 0.00 H new ATOM 777 N ARG A 447 -0.598 -8.905 2.476 1.00 0.00 N ATOM 778 CA ARG A 447 0.430 -9.714 3.123 1.00 0.00 C ATOM 779 C ARG A 447 0.678 -11.003 2.346 1.00 0.00 C ATOM 780 O ARG A 447 -0.164 -11.901 2.327 1.00 0.00 O ATOM 781 CB ARG A 447 0.018 -10.040 4.561 1.00 0.00 C ATOM 782 CG ARG A 447 1.131 -9.825 5.575 1.00 0.00 C ATOM 783 CD ARG A 447 0.590 -9.279 6.887 1.00 0.00 C ATOM 784 NE ARG A 447 1.656 -9.018 7.851 1.00 0.00 N ATOM 785 CZ ARG A 447 1.441 -8.658 9.115 1.00 0.00 C ATOM 786 NH1 ARG A 447 0.201 -8.518 9.570 1.00 0.00 N ATOM 787 NH2 ARG A 447 2.466 -8.438 9.926 1.00 0.00 N ATOM 0 H ARG A 447 -1.538 -9.041 2.847 1.00 0.00 H new ATOM 0 HA ARG A 447 1.356 -9.139 3.138 1.00 0.00 H new ATOM 0 HB2 ARG A 447 -0.837 -9.421 4.835 1.00 0.00 H new ATOM 0 HB3 ARG A 447 -0.311 -11.078 4.610 1.00 0.00 H new ATOM 0 HG2 ARG A 447 1.646 -10.768 5.757 1.00 0.00 H new ATOM 0 HG3 ARG A 447 1.868 -9.133 5.167 1.00 0.00 H new ATOM 0 HD2 ARG A 447 0.039 -8.358 6.697 1.00 0.00 H new ATOM 0 HD3 ARG A 447 -0.117 -9.991 7.312 1.00 0.00 H new ATOM 0 HE ARG A 447 2.622 -9.117 7.538 1.00 0.00 H new ATOM 0 HH11 ARG A 447 -0.592 -8.686 8.950 1.00 0.00 H new ATOM 0 HH12 ARG A 447 0.041 -8.242 10.539 1.00 0.00 H new ATOM 0 HH21 ARG A 447 3.420 -8.544 9.582 1.00 0.00 H new ATOM 0 HH22 ARG A 447 2.300 -8.162 10.894 1.00 0.00 H new ATOM 801 N ALA A 448 1.839 -11.085 1.703 1.00 0.00 N ATOM 802 CA ALA A 448 2.198 -12.263 0.923 1.00 0.00 C ATOM 803 C ALA A 448 2.368 -13.485 1.821 1.00 0.00 C ATOM 804 O ALA A 448 3.311 -13.563 2.609 1.00 0.00 O ATOM 805 CB ALA A 448 3.471 -12.005 0.133 1.00 0.00 C ATOM 0 H ALA A 448 2.546 -10.350 1.707 1.00 0.00 H new ATOM 0 HA ALA A 448 1.386 -12.468 0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 448 3.727 -12.893 -0.445 1.00 0.00 H new ATOM 0 HB2 ALA A 448 3.315 -11.165 -0.543 1.00 0.00 H new ATOM 0 HB3 ALA A 448 4.285 -11.772 0.820 1.00 0.00 H new ATOM 811 N ALA A 449 1.449 -14.438 1.695 1.00 0.00 N ATOM 812 CA ALA A 449 1.495 -15.656 2.494 1.00 0.00 C ATOM 813 C ALA A 449 2.423 -16.690 1.865 1.00 0.00 C ATOM 814 O ALA A 449 3.313 -17.225 2.528 1.00 0.00 O ATOM 815 CB ALA A 449 0.097 -16.231 2.660 1.00 0.00 C ATOM 0 H ALA A 449 0.663 -14.389 1.046 1.00 0.00 H new ATOM 0 HA ALA A 449 1.890 -15.402 3.477 1.00 0.00 H new ATOM 0 HB1 ALA A 449 0.146 -17.140 3.259 1.00 0.00 H new ATOM 0 HB2 ALA A 449 -0.540 -15.501 3.160 1.00 0.00 H new ATOM 0 HB3 ALA A 449 -0.319 -16.464 1.680 1.00 0.00 H new ATOM 821 N THR A 450 2.211 -16.968 0.583 1.00 0.00 N ATOM 822 CA THR A 450 3.029 -17.940 -0.136 1.00 0.00 C ATOM 823 C THR A 450 4.509 -17.588 -0.038 1.00 0.00 C ATOM 824 O THR A 450 5.367 -18.470 0.029 1.00 0.00 O ATOM 825 CB THR A 450 2.629 -18.023 -1.621 1.00 0.00 C ATOM 826 OG1 THR A 450 2.089 -16.768 -2.053 1.00 0.00 O ATOM 827 CG2 THR A 450 1.605 -19.125 -1.845 1.00 0.00 C ATOM 0 H THR A 450 1.480 -16.534 0.020 1.00 0.00 H new ATOM 0 HA THR A 450 2.856 -18.909 0.332 1.00 0.00 H new ATOM 0 HB THR A 450 3.521 -18.255 -2.203 1.00 0.00 H new ATOM 0 HG1 THR A 450 1.839 -16.828 -2.999 1.00 0.00 H new ATOM 0 HG21 THR A 450 1.338 -19.164 -2.901 1.00 0.00 H new ATOM 0 HG22 THR A 450 2.029 -20.082 -1.542 1.00 0.00 H new ATOM 0 HG23 THR A 450 0.713 -18.919 -1.253 1.00 0.00 H new ATOM 835 N ASP A 451 4.803 -16.292 -0.026 1.00 0.00 N ATOM 836 CA ASP A 451 6.178 -15.818 0.069 1.00 0.00 C ATOM 837 C ASP A 451 6.690 -15.937 1.505 1.00 0.00 C ATOM 838 O ASP A 451 5.902 -16.001 2.447 1.00 0.00 O ATOM 839 CB ASP A 451 6.267 -14.364 -0.403 1.00 0.00 C ATOM 840 CG ASP A 451 7.136 -14.209 -1.636 1.00 0.00 C ATOM 841 OD1 ASP A 451 6.986 -15.020 -2.574 1.00 0.00 O ATOM 842 OD2 ASP A 451 7.967 -13.277 -1.664 1.00 0.00 O ATOM 0 H ASP A 451 4.105 -15.550 -0.081 1.00 0.00 H new ATOM 0 HA ASP A 451 6.803 -16.439 -0.573 1.00 0.00 H new ATOM 0 HB2 ASP A 451 5.265 -13.993 -0.619 1.00 0.00 H new ATOM 0 HB3 ASP A 451 6.669 -13.748 0.401 1.00 0.00 H new ATOM 847 N PRO A 452 8.021 -15.971 1.689 1.00 0.00 N ATOM 848 CA PRO A 452 8.631 -16.084 3.020 1.00 0.00 C ATOM 849 C PRO A 452 8.396 -14.838 3.869 1.00 0.00 C ATOM 850 O PRO A 452 9.337 -14.123 4.216 1.00 0.00 O ATOM 851 CB PRO A 452 10.123 -16.255 2.718 1.00 0.00 C ATOM 852 CG PRO A 452 10.309 -15.637 1.377 1.00 0.00 C ATOM 853 CD PRO A 452 9.038 -15.904 0.623 1.00 0.00 C ATOM 0 HA PRO A 452 8.206 -16.906 3.595 1.00 0.00 H new ATOM 0 HB2 PRO A 452 10.739 -15.762 3.470 1.00 0.00 H new ATOM 0 HB3 PRO A 452 10.408 -17.307 2.712 1.00 0.00 H new ATOM 0 HG2 PRO A 452 10.495 -14.566 1.462 1.00 0.00 H new ATOM 0 HG3 PRO A 452 11.167 -16.070 0.863 1.00 0.00 H new ATOM 0 HD2 PRO A 452 8.820 -15.111 -0.092 1.00 0.00 H new ATOM 0 HD3 PRO A 452 9.092 -16.835 0.059 1.00 0.00 H new ATOM 861 N LYS A 453 7.135 -14.586 4.199 1.00 0.00 N ATOM 862 CA LYS A 453 6.768 -13.428 5.006 1.00 0.00 C ATOM 863 C LYS A 453 7.078 -12.130 4.266 1.00 0.00 C ATOM 864 O LYS A 453 8.122 -11.516 4.477 1.00 0.00 O ATOM 865 CB LYS A 453 7.507 -13.459 6.348 1.00 0.00 C ATOM 866 CG LYS A 453 6.612 -13.166 7.540 1.00 0.00 C ATOM 867 CD LYS A 453 5.828 -14.397 7.964 1.00 0.00 C ATOM 868 CE LYS A 453 6.732 -15.440 8.603 1.00 0.00 C ATOM 869 NZ LYS A 453 6.039 -16.181 9.694 1.00 0.00 N ATOM 0 H LYS A 453 6.347 -15.170 3.919 1.00 0.00 H new ATOM 0 HA LYS A 453 5.695 -13.470 5.192 1.00 0.00 H new ATOM 0 HB2 LYS A 453 7.964 -14.440 6.479 1.00 0.00 H new ATOM 0 HB3 LYS A 453 8.317 -12.730 6.324 1.00 0.00 H new ATOM 0 HG2 LYS A 453 7.219 -12.815 8.374 1.00 0.00 H new ATOM 0 HG3 LYS A 453 5.921 -12.362 7.288 1.00 0.00 H new ATOM 0 HD2 LYS A 453 5.049 -14.108 8.669 1.00 0.00 H new ATOM 0 HD3 LYS A 453 5.329 -14.829 7.096 1.00 0.00 H new ATOM 0 HE2 LYS A 453 7.068 -16.144 7.842 1.00 0.00 H new ATOM 0 HE3 LYS A 453 7.622 -14.954 9.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 6.688 -16.882 10.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 5.740 -15.512 10.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 5.204 -16.666 9.308 1.00 0.00 H new ATOM 883 N ALA A 454 6.160 -11.720 3.395 1.00 0.00 N ATOM 884 CA ALA A 454 6.335 -10.496 2.622 1.00 0.00 C ATOM 885 C ALA A 454 5.131 -9.572 2.774 1.00 0.00 C ATOM 886 O ALA A 454 3.992 -10.031 2.860 1.00 0.00 O ATOM 887 CB ALA A 454 6.568 -10.828 1.155 1.00 0.00 C ATOM 0 H ALA A 454 5.289 -12.217 3.208 1.00 0.00 H new ATOM 0 HA ALA A 454 7.210 -9.973 3.009 1.00 0.00 H new ATOM 0 HB1 ALA A 454 6.697 -9.905 0.589 1.00 0.00 H new ATOM 0 HB2 ALA A 454 7.464 -11.441 1.059 1.00 0.00 H new ATOM 0 HB3 ALA A 454 5.710 -11.376 0.765 1.00 0.00 H new ATOM 893 N VAL A 455 5.392 -8.271 2.807 1.00 0.00 N ATOM 894 CA VAL A 455 4.331 -7.281 2.947 1.00 0.00 C ATOM 895 C VAL A 455 4.438 -6.205 1.872 1.00 0.00 C ATOM 896 O VAL A 455 5.197 -5.246 2.012 1.00 0.00 O ATOM 897 CB VAL A 455 4.369 -6.608 4.333 1.00 0.00 C ATOM 898 CG1 VAL A 455 3.137 -5.738 4.538 1.00 0.00 C ATOM 899 CG2 VAL A 455 4.479 -7.655 5.432 1.00 0.00 C ATOM 0 H VAL A 455 6.330 -7.876 2.739 1.00 0.00 H new ATOM 0 HA VAL A 455 3.386 -7.813 2.834 1.00 0.00 H new ATOM 0 HB VAL A 455 5.250 -5.968 4.382 1.00 0.00 H new ATOM 0 HG11 VAL A 455 3.181 -5.271 5.522 1.00 0.00 H new ATOM 0 HG12 VAL A 455 3.106 -4.965 3.770 1.00 0.00 H new ATOM 0 HG13 VAL A 455 2.241 -6.354 4.469 1.00 0.00 H new ATOM 0 HG21 VAL A 455 4.505 -7.161 6.404 1.00 0.00 H new ATOM 0 HG22 VAL A 455 3.618 -8.322 5.386 1.00 0.00 H new ATOM 0 HG23 VAL A 455 5.393 -8.232 5.294 1.00 0.00 H new ATOM 909 N VAL A 456 3.673 -6.371 0.799 1.00 0.00 N ATOM 910 CA VAL A 456 3.683 -5.414 -0.302 1.00 0.00 C ATOM 911 C VAL A 456 2.577 -4.376 -0.139 1.00 0.00 C ATOM 912 O VAL A 456 1.403 -4.721 -0.011 1.00 0.00 O ATOM 913 CB VAL A 456 3.521 -6.121 -1.662 1.00 0.00 C ATOM 914 CG1 VAL A 456 2.183 -6.843 -1.737 1.00 0.00 C ATOM 915 CG2 VAL A 456 3.662 -5.126 -2.805 1.00 0.00 C ATOM 0 H VAL A 456 3.038 -7.159 0.668 1.00 0.00 H new ATOM 0 HA VAL A 456 4.650 -4.912 -0.278 1.00 0.00 H new ATOM 0 HB VAL A 456 4.313 -6.863 -1.757 1.00 0.00 H new ATOM 0 HG11 VAL A 456 2.089 -7.335 -2.705 1.00 0.00 H new ATOM 0 HG12 VAL A 456 2.127 -7.589 -0.944 1.00 0.00 H new ATOM 0 HG13 VAL A 456 1.374 -6.123 -1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 456 3.544 -5.645 -3.756 1.00 0.00 H new ATOM 0 HG22 VAL A 456 2.895 -4.357 -2.714 1.00 0.00 H new ATOM 0 HG23 VAL A 456 4.648 -4.662 -2.764 1.00 0.00 H new ATOM 925 N THR A 457 2.961 -3.104 -0.145 1.00 0.00 N ATOM 926 CA THR A 457 2.003 -2.015 0.000 1.00 0.00 C ATOM 927 C THR A 457 2.105 -1.035 -1.163 1.00 0.00 C ATOM 928 O THR A 457 3.152 -0.427 -1.385 1.00 0.00 O ATOM 929 CB THR A 457 2.217 -1.251 1.320 1.00 0.00 C ATOM 930 OG1 THR A 457 2.388 -2.175 2.402 1.00 0.00 O ATOM 931 CG2 THR A 457 1.036 -0.334 1.613 1.00 0.00 C ATOM 0 H THR A 457 3.930 -2.802 -0.249 1.00 0.00 H new ATOM 0 HA THR A 457 1.011 -2.466 0.006 1.00 0.00 H new ATOM 0 HB THR A 457 3.115 -0.642 1.218 1.00 0.00 H new ATOM 0 HG1 THR A 457 2.525 -1.680 3.236 1.00 0.00 H new ATOM 0 HG21 THR A 457 1.210 0.195 2.550 1.00 0.00 H new ATOM 0 HG22 THR A 457 0.926 0.388 0.804 1.00 0.00 H new ATOM 0 HG23 THR A 457 0.126 -0.928 1.695 1.00 0.00 H new ATOM 939 N THR A 458 1.011 -0.886 -1.903 1.00 0.00 N ATOM 940 CA THR A 458 0.978 0.020 -3.044 1.00 0.00 C ATOM 941 C THR A 458 0.512 1.411 -2.629 1.00 0.00 C ATOM 942 O THR A 458 -0.214 1.566 -1.647 1.00 0.00 O ATOM 943 CB THR A 458 0.051 -0.510 -4.155 1.00 0.00 C ATOM 944 OG1 THR A 458 -0.102 -1.929 -4.032 1.00 0.00 O ATOM 945 CG2 THR A 458 0.605 -0.172 -5.530 1.00 0.00 C ATOM 0 H THR A 458 0.136 -1.381 -1.732 1.00 0.00 H new ATOM 0 HA THR A 458 1.996 0.081 -3.429 1.00 0.00 H new ATOM 0 HB THR A 458 -0.921 -0.030 -4.045 1.00 0.00 H new ATOM 0 HG1 THR A 458 -0.694 -2.257 -4.741 1.00 0.00 H new ATOM 0 HG21 THR A 458 -0.067 -0.556 -6.297 1.00 0.00 H new ATOM 0 HG22 THR A 458 0.691 0.910 -5.632 1.00 0.00 H new ATOM 0 HG23 THR A 458 1.589 -0.627 -5.648 1.00 0.00 H new ATOM 953 N TYR A 459 0.935 2.420 -3.383 1.00 0.00 N ATOM 954 CA TYR A 459 0.561 3.800 -3.094 1.00 0.00 C ATOM 955 C TYR A 459 0.068 4.506 -4.353 1.00 0.00 C ATOM 956 O TYR A 459 0.713 4.451 -5.400 1.00 0.00 O ATOM 957 CB TYR A 459 1.751 4.560 -2.503 1.00 0.00 C ATOM 958 CG TYR A 459 1.979 4.280 -1.034 1.00 0.00 C ATOM 959 CD1 TYR A 459 2.591 3.104 -0.618 1.00 0.00 C ATOM 960 CD2 TYR A 459 1.585 5.193 -0.064 1.00 0.00 C ATOM 961 CE1 TYR A 459 2.800 2.846 0.723 1.00 0.00 C ATOM 962 CE2 TYR A 459 1.791 4.942 1.278 1.00 0.00 C ATOM 963 CZ TYR A 459 2.400 3.767 1.667 1.00 0.00 C ATOM 964 OH TYR A 459 2.607 3.513 3.003 1.00 0.00 O ATOM 0 H TYR A 459 1.537 2.308 -4.199 1.00 0.00 H new ATOM 0 HA TYR A 459 -0.250 3.785 -2.366 1.00 0.00 H new ATOM 0 HB2 TYR A 459 2.651 4.297 -3.058 1.00 0.00 H new ATOM 0 HB3 TYR A 459 1.593 5.630 -2.640 1.00 0.00 H new ATOM 0 HD1 TYR A 459 2.908 2.380 -1.354 1.00 0.00 H new ATOM 0 HD2 TYR A 459 1.109 6.115 -0.365 1.00 0.00 H new ATOM 0 HE1 TYR A 459 3.275 1.926 1.030 1.00 0.00 H new ATOM 0 HE2 TYR A 459 1.477 5.662 2.019 1.00 0.00 H new ATOM 0 HH TYR A 459 2.268 4.263 3.535 1.00 0.00 H new ATOM 974 N GLU A 460 -1.080 5.166 -4.244 1.00 0.00 N ATOM 975 CA GLU A 460 -1.661 5.882 -5.375 1.00 0.00 C ATOM 976 C GLU A 460 -1.901 7.347 -5.027 1.00 0.00 C ATOM 977 O GLU A 460 -2.817 7.674 -4.271 1.00 0.00 O ATOM 978 CB GLU A 460 -2.977 5.225 -5.799 1.00 0.00 C ATOM 979 CG GLU A 460 -2.789 3.989 -6.663 1.00 0.00 C ATOM 980 CD GLU A 460 -2.448 2.755 -5.851 1.00 0.00 C ATOM 981 OE1 GLU A 460 -2.853 2.692 -4.670 1.00 0.00 O ATOM 982 OE2 GLU A 460 -1.777 1.853 -6.394 1.00 0.00 O ATOM 0 H GLU A 460 -1.627 5.220 -3.385 1.00 0.00 H new ATOM 0 HA GLU A 460 -0.955 5.835 -6.204 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -3.541 4.952 -4.907 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -3.577 5.952 -6.346 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -3.701 3.805 -7.230 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -1.995 4.174 -7.387 1.00 0.00 H new ATOM 989 N GLY A 461 -1.074 8.226 -5.585 1.00 0.00 N ATOM 990 CA GLY A 461 -1.215 9.646 -5.322 1.00 0.00 C ATOM 991 C GLY A 461 -0.236 10.142 -4.276 1.00 0.00 C ATOM 992 O GLY A 461 0.143 9.400 -3.370 1.00 0.00 O ATOM 0 H GLY A 461 -0.310 7.980 -6.214 1.00 0.00 H new ATOM 0 HA2 GLY A 461 -1.064 10.201 -6.248 1.00 0.00 H new ATOM 0 HA3 GLY A 461 -2.232 9.851 -4.989 1.00 0.00 H new ATOM 996 N LYS A 462 0.173 11.400 -4.401 1.00 0.00 N ATOM 997 CA LYS A 462 1.113 11.994 -3.458 1.00 0.00 C ATOM 998 C LYS A 462 0.375 12.749 -2.356 1.00 0.00 C ATOM 999 O LYS A 462 -0.837 12.947 -2.430 1.00 0.00 O ATOM 1000 CB LYS A 462 2.070 12.939 -4.187 1.00 0.00 C ATOM 1001 CG LYS A 462 3.142 12.219 -4.989 1.00 0.00 C ATOM 1002 CD LYS A 462 4.513 12.844 -4.780 1.00 0.00 C ATOM 1003 CE LYS A 462 5.622 11.927 -5.265 1.00 0.00 C ATOM 1004 NZ LYS A 462 5.535 10.575 -4.647 1.00 0.00 N ATOM 0 H LYS A 462 -0.131 12.027 -5.145 1.00 0.00 H new ATOM 0 HA LYS A 462 1.687 11.189 -3.000 1.00 0.00 H new ATOM 0 HB2 LYS A 462 1.496 13.579 -4.857 1.00 0.00 H new ATOM 0 HB3 LYS A 462 2.550 13.591 -3.457 1.00 0.00 H new ATOM 0 HG2 LYS A 462 3.172 11.169 -4.697 1.00 0.00 H new ATOM 0 HG3 LYS A 462 2.886 12.248 -6.048 1.00 0.00 H new ATOM 0 HD2 LYS A 462 4.566 13.794 -5.312 1.00 0.00 H new ATOM 0 HD3 LYS A 462 4.657 13.063 -3.722 1.00 0.00 H new ATOM 0 HE2 LYS A 462 5.568 11.834 -6.350 1.00 0.00 H new ATOM 0 HE3 LYS A 462 6.589 12.372 -5.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 462 6.476 10.133 -4.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 462 5.191 10.662 -3.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 462 4.877 9.985 -5.194 1.00 0.00 H new ATOM 1018 N HIS A 463 1.116 13.165 -1.335 1.00 0.00 N ATOM 1019 CA HIS A 463 0.531 13.897 -0.216 1.00 0.00 C ATOM 1020 C HIS A 463 0.618 15.402 -0.443 1.00 0.00 C ATOM 1021 O HIS A 463 1.636 15.911 -0.913 1.00 0.00 O ATOM 1022 CB HIS A 463 1.238 13.525 1.089 1.00 0.00 C ATOM 1023 CG HIS A 463 1.159 12.067 1.418 1.00 0.00 C ATOM 1024 ND1 HIS A 463 0.109 11.508 2.115 1.00 0.00 N ATOM 1025 CD2 HIS A 463 2.006 11.047 1.140 1.00 0.00 C ATOM 1026 CE1 HIS A 463 0.312 10.210 2.254 1.00 0.00 C ATOM 1027 NE2 HIS A 463 1.457 9.905 1.669 1.00 0.00 N ATOM 0 H HIS A 463 2.121 13.009 -1.258 1.00 0.00 H new ATOM 0 HA HIS A 463 -0.521 13.620 -0.144 1.00 0.00 H new ATOM 0 HB2 HIS A 463 2.286 13.817 1.021 1.00 0.00 H new ATOM 0 HB3 HIS A 463 0.800 14.098 1.906 1.00 0.00 H new ATOM 0 HD2 HIS A 463 2.940 11.119 0.602 1.00 0.00 H new ATOM 0 HE1 HIS A 463 -0.345 9.517 2.759 1.00 0.00 H new ATOM 0 HE2 HIS A 463 1.867 8.972 1.619 1.00 0.00 H new ATOM 1035 N ASN A 464 -0.455 16.109 -0.105 1.00 0.00 N ATOM 1036 CA ASN A 464 -0.500 17.557 -0.272 1.00 0.00 C ATOM 1037 C ASN A 464 -0.354 18.263 1.071 1.00 0.00 C ATOM 1038 O ASN A 464 -0.891 19.353 1.272 1.00 0.00 O ATOM 1039 CB ASN A 464 -1.811 17.975 -0.941 1.00 0.00 C ATOM 1040 CG ASN A 464 -2.049 17.250 -2.252 1.00 0.00 C ATOM 1041 OD1 ASN A 464 -1.270 16.381 -2.645 1.00 0.00 O ATOM 1042 ND2 ASN A 464 -3.130 17.605 -2.937 1.00 0.00 N ATOM 0 H ASN A 464 -1.305 15.703 0.286 1.00 0.00 H new ATOM 0 HA ASN A 464 0.334 17.850 -0.910 1.00 0.00 H new ATOM 0 HB2 ASN A 464 -2.641 17.776 -0.263 1.00 0.00 H new ATOM 0 HB3 ASN A 464 -1.797 19.050 -1.121 1.00 0.00 H new ATOM 0 HD21 ASN A 464 -3.342 17.152 -3.826 1.00 0.00 H new ATOM 0 HD22 ASN A 464 -3.748 18.330 -2.574 1.00 0.00 H new ATOM 1049 N HIS A 465 0.376 17.637 1.987 1.00 0.00 N ATOM 1050 CA HIS A 465 0.593 18.207 3.312 1.00 0.00 C ATOM 1051 C HIS A 465 1.954 17.795 3.865 1.00 0.00 C ATOM 1052 O HIS A 465 2.510 16.771 3.470 1.00 0.00 O ATOM 1053 CB HIS A 465 -0.515 17.762 4.269 1.00 0.00 C ATOM 1054 CG HIS A 465 -0.630 16.274 4.402 1.00 0.00 C ATOM 1055 ND1 HIS A 465 -0.282 15.592 5.548 1.00 0.00 N ATOM 1056 CD2 HIS A 465 -1.059 15.338 3.522 1.00 0.00 C ATOM 1057 CE1 HIS A 465 -0.492 14.299 5.369 1.00 0.00 C ATOM 1058 NE2 HIS A 465 -0.964 14.120 4.149 1.00 0.00 N ATOM 0 H HIS A 465 0.828 16.735 1.837 1.00 0.00 H new ATOM 0 HA HIS A 465 0.571 19.293 3.221 1.00 0.00 H new ATOM 0 HB2 HIS A 465 -0.329 18.193 5.253 1.00 0.00 H new ATOM 0 HB3 HIS A 465 -1.467 18.162 3.920 1.00 0.00 H new ATOM 0 HD2 HIS A 465 -1.410 15.516 2.516 1.00 0.00 H new ATOM 0 HE1 HIS A 465 -0.309 13.522 6.096 1.00 0.00 H new ATOM 0 HE2 HIS A 465 -1.217 13.221 3.738 1.00 0.00 H new