USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 541 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 492 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 493 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 442 HIS : no HD1:sc= 0.808 K(o=2,f=-1.6) USER MOD Set 2.2: A 444 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 473 SER OG : rot 11:sc= 0.0182 USER MOD Set 2.4: A 500 GLN : amide:sc= 1.15 K(o=2,f=-0.27) USER MOD Single : A 439 HIS : no HD1:sc= 0.279 K(o=0.28,f=-1.6!) USER MOD Single : A 447 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 450 LYS NZ :NH3+ -179:sc= 0.919 (180deg=0.918) USER MOD Single : A 451 THR OG1 : rot 180:sc= 0.034 USER MOD Single : A 452 SER OG : rot 180:sc= 0 USER MOD Single : A 455 TYR OH : rot 180:sc= 0 USER MOD Single : A 456 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 463 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 465 GLN : amide:sc=0.000561 X(o=0.00056,f=0) USER MOD Single : A 467 SER OG : rot 180:sc=6.67e-05 USER MOD Single : A 472 THR OG1 : rot -8:sc=0.000606 USER MOD Single : A 477 SER OG : rot 180:sc= 0 USER MOD Single : A 479 SER OG : rot 180:sc= 0 USER MOD Single : A 480 GLN : amide:sc= 0.56 K(o=0.56,f=-0.096) USER MOD Single : A 483 GLN : amide:sc= -0.442 K(o=-0.44,f=-2.4) USER MOD Single : A 485 GLN : amide:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 489 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 490 THR OG1 : rot 4:sc= 0.00483 USER MOD Single : A 491 SER OG : rot -110:sc= 0.255 USER MOD Single : A 496 SER OG : rot 180:sc= 0 USER MOD Single : A 497 TYR OH : rot 180:sc= 0 USER MOD Single : A 501 THR OG1 : rot 180:sc= 0.43 USER MOD Single : A 502 TYR OH : rot 180:sc= 0 USER MOD Single : A 505 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 173 N ARG A 437 -2.119 -9.794 -7.053 1.00 0.00 N ATOM 174 CA ARG A 437 -1.867 -8.492 -6.386 1.00 0.00 C ATOM 175 C ARG A 437 -1.026 -7.482 -7.189 1.00 0.00 C ATOM 176 O ARG A 437 -0.489 -6.523 -6.639 1.00 0.00 O ATOM 177 CB ARG A 437 -1.370 -8.715 -4.946 1.00 0.00 C ATOM 178 CG ARG A 437 -2.441 -9.414 -4.093 1.00 0.00 C ATOM 179 CD ARG A 437 -1.992 -9.479 -2.635 1.00 0.00 C ATOM 180 NE ARG A 437 -2.983 -10.168 -1.785 1.00 0.00 N ATOM 181 CZ ARG A 437 -3.051 -11.461 -1.518 1.00 0.00 C ATOM 182 NH1 ARG A 437 -2.204 -12.324 -2.006 1.00 0.00 N ATOM 183 NH2 ARG A 437 -3.993 -11.921 -0.745 1.00 0.00 N ATOM 0 HA ARG A 437 -2.832 -7.987 -6.337 1.00 0.00 H new ATOM 0 HB2 ARG A 437 -0.462 -9.318 -4.961 1.00 0.00 H new ATOM 0 HB3 ARG A 437 -1.110 -7.757 -4.495 1.00 0.00 H new ATOM 0 HG2 ARG A 437 -3.385 -8.874 -4.167 1.00 0.00 H new ATOM 0 HG3 ARG A 437 -2.619 -10.420 -4.472 1.00 0.00 H new ATOM 0 HD2 ARG A 437 -1.036 -9.999 -2.572 1.00 0.00 H new ATOM 0 HD3 ARG A 437 -1.831 -8.469 -2.259 1.00 0.00 H new ATOM 0 HE ARG A 437 -3.696 -9.580 -1.355 1.00 0.00 H new ATOM 0 HH11 ARG A 437 -1.452 -12.010 -2.620 1.00 0.00 H new ATOM 0 HH12 ARG A 437 -2.293 -13.313 -1.774 1.00 0.00 H new ATOM 0 HH21 ARG A 437 -4.681 -11.283 -0.344 1.00 0.00 H new ATOM 0 HH22 ARG A 437 -4.043 -12.919 -0.541 1.00 0.00 H new ATOM 197 N ASP A 438 -0.964 -7.645 -8.509 1.00 0.00 N ATOM 198 CA ASP A 438 -0.402 -6.675 -9.457 1.00 0.00 C ATOM 199 C ASP A 438 -1.225 -5.368 -9.553 1.00 0.00 C ATOM 200 O ASP A 438 -0.717 -4.340 -10.003 1.00 0.00 O ATOM 201 CB ASP A 438 -0.265 -7.348 -10.833 1.00 0.00 C ATOM 202 CG ASP A 438 -1.613 -7.814 -11.414 1.00 0.00 C ATOM 203 OD1 ASP A 438 -2.204 -8.777 -10.864 1.00 0.00 O ATOM 204 OD2 ASP A 438 -2.073 -7.230 -12.423 1.00 0.00 O ATOM 0 H ASP A 438 -1.315 -8.485 -8.968 1.00 0.00 H new ATOM 0 HA ASP A 438 0.578 -6.374 -9.088 1.00 0.00 H new ATOM 0 HB2 ASP A 438 0.201 -6.649 -11.528 1.00 0.00 H new ATOM 0 HB3 ASP A 438 0.403 -8.205 -10.747 1.00 0.00 H new ATOM 209 N HIS A 439 -2.476 -5.389 -9.079 1.00 0.00 N ATOM 210 CA HIS A 439 -3.402 -4.252 -8.982 1.00 0.00 C ATOM 211 C HIS A 439 -3.392 -3.569 -7.595 1.00 0.00 C ATOM 212 O HIS A 439 -4.307 -2.805 -7.278 1.00 0.00 O ATOM 213 CB HIS A 439 -4.807 -4.762 -9.343 1.00 0.00 C ATOM 214 CG HIS A 439 -5.384 -5.716 -8.320 1.00 0.00 C ATOM 215 ND1 HIS A 439 -4.901 -6.997 -8.026 1.00 0.00 N ATOM 216 CD2 HIS A 439 -6.433 -5.441 -7.494 1.00 0.00 C ATOM 217 CE1 HIS A 439 -5.682 -7.463 -7.036 1.00 0.00 C ATOM 218 NE2 HIS A 439 -6.608 -6.550 -6.695 1.00 0.00 N ATOM 0 H HIS A 439 -2.895 -6.252 -8.732 1.00 0.00 H new ATOM 0 HA HIS A 439 -3.079 -3.478 -9.678 1.00 0.00 H new ATOM 0 HB2 HIS A 439 -5.477 -3.910 -9.452 1.00 0.00 H new ATOM 0 HB3 HIS A 439 -4.766 -5.261 -10.311 1.00 0.00 H new ATOM 0 HD2 HIS A 439 -7.014 -4.531 -7.470 1.00 0.00 H new ATOM 0 HE1 HIS A 439 -5.580 -8.436 -6.578 1.00 0.00 H new ATOM 0 HE2 HIS A 439 -7.317 -6.659 -5.970 1.00 0.00 H new ATOM 226 N VAL A 440 -2.384 -3.848 -6.755 1.00 0.00 N ATOM 227 CA VAL A 440 -2.335 -3.450 -5.334 1.00 0.00 C ATOM 228 C VAL A 440 -1.097 -2.601 -5.029 1.00 0.00 C ATOM 229 O VAL A 440 0.005 -2.836 -5.533 1.00 0.00 O ATOM 230 CB VAL A 440 -2.396 -4.686 -4.403 1.00 0.00 C ATOM 231 CG1 VAL A 440 -2.471 -4.325 -2.910 1.00 0.00 C ATOM 232 CG2 VAL A 440 -3.623 -5.556 -4.707 1.00 0.00 C ATOM 0 H VAL A 440 -1.558 -4.369 -7.049 1.00 0.00 H new ATOM 0 HA VAL A 440 -3.215 -2.836 -5.140 1.00 0.00 H new ATOM 0 HB VAL A 440 -1.467 -5.221 -4.600 1.00 0.00 H new ATOM 0 HG11 VAL A 440 -2.511 -5.238 -2.316 1.00 0.00 H new ATOM 0 HG12 VAL A 440 -1.589 -3.749 -2.630 1.00 0.00 H new ATOM 0 HG13 VAL A 440 -3.366 -3.732 -2.724 1.00 0.00 H new ATOM 0 HG21 VAL A 440 -3.635 -6.415 -4.036 1.00 0.00 H new ATOM 0 HG22 VAL A 440 -4.530 -4.969 -4.562 1.00 0.00 H new ATOM 0 HG23 VAL A 440 -3.576 -5.903 -5.739 1.00 0.00 H new ATOM 242 N LEU A 441 -1.297 -1.620 -4.153 1.00 0.00 N ATOM 243 CA LEU A 441 -0.305 -0.687 -3.627 1.00 0.00 C ATOM 244 C LEU A 441 -0.093 -0.905 -2.126 1.00 0.00 C ATOM 245 O LEU A 441 -0.935 -1.484 -1.440 1.00 0.00 O ATOM 246 CB LEU A 441 -0.832 0.745 -3.839 1.00 0.00 C ATOM 247 CG LEU A 441 -0.936 1.187 -5.305 1.00 0.00 C ATOM 248 CD1 LEU A 441 -1.765 2.460 -5.380 1.00 0.00 C ATOM 249 CD2 LEU A 441 0.441 1.483 -5.897 1.00 0.00 C ATOM 0 H LEU A 441 -2.223 -1.444 -3.764 1.00 0.00 H new ATOM 0 HA LEU A 441 0.642 -0.846 -4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 441 -1.817 0.825 -3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 441 -0.177 1.439 -3.311 1.00 0.00 H new ATOM 0 HG LEU A 441 -1.398 0.378 -5.870 1.00 0.00 H new ATOM 0 HD11 LEU A 441 -1.844 2.782 -6.418 1.00 0.00 H new ATOM 0 HD12 LEU A 441 -2.762 2.269 -4.982 1.00 0.00 H new ATOM 0 HD13 LEU A 441 -1.284 3.243 -4.793 1.00 0.00 H new ATOM 0 HD21 LEU A 441 0.331 1.793 -6.936 1.00 0.00 H new ATOM 0 HD22 LEU A 441 0.918 2.281 -5.328 1.00 0.00 H new ATOM 0 HD23 LEU A 441 1.058 0.586 -5.850 1.00 0.00 H new ATOM 261 N HIS A 442 0.997 -0.350 -1.611 1.00 0.00 N ATOM 262 CA HIS A 442 1.315 -0.194 -0.195 1.00 0.00 C ATOM 263 C HIS A 442 1.495 1.303 0.082 1.00 0.00 C ATOM 264 O HIS A 442 2.049 2.038 -0.741 1.00 0.00 O ATOM 265 CB HIS A 442 2.580 -0.993 0.144 1.00 0.00 C ATOM 266 CG HIS A 442 3.104 -0.703 1.530 1.00 0.00 C ATOM 267 ND1 HIS A 442 3.971 0.344 1.861 1.00 0.00 N ATOM 268 CD2 HIS A 442 2.755 -1.364 2.670 1.00 0.00 C ATOM 269 CE1 HIS A 442 4.117 0.296 3.196 1.00 0.00 C ATOM 270 NE2 HIS A 442 3.412 -0.729 3.701 1.00 0.00 N ATOM 0 H HIS A 442 1.731 0.028 -2.210 1.00 0.00 H new ATOM 0 HA HIS A 442 0.513 -0.580 0.434 1.00 0.00 H new ATOM 0 HB2 HIS A 442 2.365 -2.058 0.058 1.00 0.00 H new ATOM 0 HB3 HIS A 442 3.355 -0.764 -0.587 1.00 0.00 H new ATOM 0 HD2 HIS A 442 2.095 -2.215 2.749 1.00 0.00 H new ATOM 0 HE1 HIS A 442 4.714 0.982 3.778 1.00 0.00 H new ATOM 0 HE2 HIS A 442 3.370 -0.994 4.685 1.00 0.00 H new ATOM 278 N VAL A 443 0.997 1.759 1.230 1.00 0.00 N ATOM 279 CA VAL A 443 0.872 3.177 1.583 1.00 0.00 C ATOM 280 C VAL A 443 1.390 3.387 3.004 1.00 0.00 C ATOM 281 O VAL A 443 1.164 2.547 3.877 1.00 0.00 O ATOM 282 CB VAL A 443 -0.598 3.645 1.483 1.00 0.00 C ATOM 283 CG1 VAL A 443 -0.702 5.177 1.440 1.00 0.00 C ATOM 284 CG2 VAL A 443 -1.316 3.112 0.234 1.00 0.00 C ATOM 0 H VAL A 443 0.659 1.136 1.963 1.00 0.00 H new ATOM 0 HA VAL A 443 1.462 3.767 0.882 1.00 0.00 H new ATOM 0 HB VAL A 443 -1.077 3.245 2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -1.750 5.469 1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -0.269 5.597 2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -0.161 5.554 0.572 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -2.343 3.476 0.222 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -0.798 3.459 -0.660 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -1.317 2.022 0.252 1.00 0.00 H new ATOM 294 N THR A 444 2.057 4.518 3.238 1.00 0.00 N ATOM 295 CA THR A 444 2.670 4.892 4.524 1.00 0.00 C ATOM 296 C THR A 444 2.284 6.328 4.877 1.00 0.00 C ATOM 297 O THR A 444 2.328 7.212 4.019 1.00 0.00 O ATOM 298 CB THR A 444 4.204 4.769 4.459 1.00 0.00 C ATOM 299 OG1 THR A 444 4.601 3.538 3.890 1.00 0.00 O ATOM 300 CG2 THR A 444 4.853 4.818 5.841 1.00 0.00 C ATOM 0 H THR A 444 2.193 5.226 2.517 1.00 0.00 H new ATOM 0 HA THR A 444 2.303 4.212 5.292 1.00 0.00 H new ATOM 0 HB THR A 444 4.527 5.615 3.853 1.00 0.00 H new ATOM 0 HG1 THR A 444 5.579 3.491 3.861 1.00 0.00 H new ATOM 0 HG21 THR A 444 5.934 4.727 5.739 1.00 0.00 H new ATOM 0 HG22 THR A 444 4.612 5.766 6.323 1.00 0.00 H new ATOM 0 HG23 THR A 444 4.476 3.996 6.449 1.00 0.00 H new ATOM 308 N PHE A 445 1.878 6.567 6.126 1.00 0.00 N ATOM 309 CA PHE A 445 1.266 7.827 6.571 1.00 0.00 C ATOM 310 C PHE A 445 1.380 8.035 8.102 1.00 0.00 C ATOM 311 O PHE A 445 1.523 7.059 8.847 1.00 0.00 O ATOM 312 CB PHE A 445 -0.221 7.813 6.150 1.00 0.00 C ATOM 313 CG PHE A 445 -0.938 6.492 6.402 1.00 0.00 C ATOM 314 CD1 PHE A 445 -1.280 6.106 7.710 1.00 0.00 C ATOM 315 CD2 PHE A 445 -1.183 5.604 5.336 1.00 0.00 C ATOM 316 CE1 PHE A 445 -1.824 4.837 7.956 1.00 0.00 C ATOM 317 CE2 PHE A 445 -1.739 4.335 5.578 1.00 0.00 C ATOM 318 CZ PHE A 445 -2.053 3.948 6.892 1.00 0.00 C ATOM 0 H PHE A 445 1.966 5.878 6.873 1.00 0.00 H new ATOM 0 HA PHE A 445 1.800 8.655 6.104 1.00 0.00 H new ATOM 0 HB2 PHE A 445 -0.745 8.604 6.687 1.00 0.00 H new ATOM 0 HB3 PHE A 445 -0.287 8.051 5.088 1.00 0.00 H new ATOM 0 HD1 PHE A 445 -1.123 6.791 8.530 1.00 0.00 H new ATOM 0 HD2 PHE A 445 -0.942 5.900 4.326 1.00 0.00 H new ATOM 0 HE1 PHE A 445 -2.068 4.542 8.966 1.00 0.00 H new ATOM 0 HE2 PHE A 445 -1.924 3.660 4.756 1.00 0.00 H new ATOM 0 HZ PHE A 445 -2.469 2.970 7.084 1.00 0.00 H new ATOM 328 N PRO A 446 1.302 9.285 8.606 1.00 0.00 N ATOM 329 CA PRO A 446 1.151 9.574 10.036 1.00 0.00 C ATOM 330 C PRO A 446 -0.080 8.879 10.642 1.00 0.00 C ATOM 331 O PRO A 446 -1.133 8.809 10.000 1.00 0.00 O ATOM 332 CB PRO A 446 1.011 11.099 10.139 1.00 0.00 C ATOM 333 CG PRO A 446 1.669 11.619 8.864 1.00 0.00 C ATOM 334 CD PRO A 446 1.369 10.523 7.845 1.00 0.00 C ATOM 0 HA PRO A 446 2.009 9.199 10.595 1.00 0.00 H new ATOM 0 HB2 PRO A 446 -0.035 11.400 10.200 1.00 0.00 H new ATOM 0 HB3 PRO A 446 1.506 11.486 11.030 1.00 0.00 H new ATOM 0 HG2 PRO A 446 1.252 12.578 8.558 1.00 0.00 H new ATOM 0 HG3 PRO A 446 2.741 11.765 8.995 1.00 0.00 H new ATOM 0 HD2 PRO A 446 0.429 10.716 7.328 1.00 0.00 H new ATOM 0 HD3 PRO A 446 2.147 10.473 7.084 1.00 0.00 H new ATOM 342 N LYS A 447 0.010 8.422 11.899 1.00 0.00 N ATOM 343 CA LYS A 447 -1.082 7.714 12.607 1.00 0.00 C ATOM 344 C LYS A 447 -2.417 8.475 12.665 1.00 0.00 C ATOM 345 O LYS A 447 -3.475 7.857 12.767 1.00 0.00 O ATOM 346 CB LYS A 447 -0.621 7.280 14.012 1.00 0.00 C ATOM 347 CG LYS A 447 -0.348 8.451 14.974 1.00 0.00 C ATOM 348 CD LYS A 447 0.121 7.933 16.342 1.00 0.00 C ATOM 349 CE LYS A 447 0.328 9.061 17.362 1.00 0.00 C ATOM 350 NZ LYS A 447 1.498 9.919 17.036 1.00 0.00 N ATOM 0 H LYS A 447 0.851 8.532 12.465 1.00 0.00 H new ATOM 0 HA LYS A 447 -1.297 6.831 12.005 1.00 0.00 H new ATOM 0 HB2 LYS A 447 -1.383 6.635 14.449 1.00 0.00 H new ATOM 0 HB3 LYS A 447 0.286 6.683 13.917 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.411 9.108 14.549 1.00 0.00 H new ATOM 0 HG3 LYS A 447 -1.253 9.046 15.096 1.00 0.00 H new ATOM 0 HD2 LYS A 447 -0.614 7.228 16.730 1.00 0.00 H new ATOM 0 HD3 LYS A 447 1.055 7.385 16.218 1.00 0.00 H new ATOM 0 HE2 LYS A 447 -0.570 9.678 17.403 1.00 0.00 H new ATOM 0 HE3 LYS A 447 0.464 8.629 18.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 1.593 10.664 17.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 2.361 9.339 17.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 1.359 10.355 16.102 1.00 0.00 H new ATOM 364 N GLU A 448 -2.375 9.804 12.557 1.00 0.00 N ATOM 365 CA GLU A 448 -3.548 10.691 12.531 1.00 0.00 C ATOM 366 C GLU A 448 -4.473 10.496 11.310 1.00 0.00 C ATOM 367 O GLU A 448 -5.604 10.990 11.330 1.00 0.00 O ATOM 368 CB GLU A 448 -3.085 12.157 12.608 1.00 0.00 C ATOM 369 CG GLU A 448 -2.359 12.479 13.922 1.00 0.00 C ATOM 370 CD GLU A 448 -2.009 13.976 14.008 1.00 0.00 C ATOM 371 OE1 GLU A 448 -0.909 14.378 13.554 1.00 0.00 O ATOM 372 OE2 GLU A 448 -2.828 14.769 14.539 1.00 0.00 O ATOM 0 H GLU A 448 -1.495 10.314 12.482 1.00 0.00 H new ATOM 0 HA GLU A 448 -4.148 10.423 13.400 1.00 0.00 H new ATOM 0 HB2 GLU A 448 -2.422 12.369 11.769 1.00 0.00 H new ATOM 0 HB3 GLU A 448 -3.949 12.813 12.505 1.00 0.00 H new ATOM 0 HG2 GLU A 448 -2.989 12.200 14.767 1.00 0.00 H new ATOM 0 HG3 GLU A 448 -1.448 11.884 13.993 1.00 0.00 H new ATOM 379 N TRP A 449 -4.033 9.788 10.261 1.00 0.00 N ATOM 380 CA TRP A 449 -4.866 9.393 9.113 1.00 0.00 C ATOM 381 C TRP A 449 -5.930 8.341 9.479 1.00 0.00 C ATOM 382 O TRP A 449 -5.760 7.551 10.414 1.00 0.00 O ATOM 383 CB TRP A 449 -3.973 8.846 7.986 1.00 0.00 C ATOM 384 CG TRP A 449 -3.279 9.870 7.136 1.00 0.00 C ATOM 385 CD1 TRP A 449 -2.463 10.853 7.579 1.00 0.00 C ATOM 386 CD2 TRP A 449 -3.331 10.024 5.682 1.00 0.00 C ATOM 387 NE1 TRP A 449 -2.028 11.616 6.512 1.00 0.00 N ATOM 388 CE2 TRP A 449 -2.544 11.158 5.319 1.00 0.00 C ATOM 389 CE3 TRP A 449 -3.969 9.327 4.630 1.00 0.00 C ATOM 390 CZ2 TRP A 449 -2.420 11.597 3.993 1.00 0.00 C ATOM 391 CZ3 TRP A 449 -3.851 9.758 3.293 1.00 0.00 C ATOM 392 CH2 TRP A 449 -3.083 10.892 2.974 1.00 0.00 C ATOM 0 H TRP A 449 -3.068 9.466 10.184 1.00 0.00 H new ATOM 0 HA TRP A 449 -5.395 10.287 8.782 1.00 0.00 H new ATOM 0 HB2 TRP A 449 -3.216 8.200 8.431 1.00 0.00 H new ATOM 0 HB3 TRP A 449 -4.585 8.220 7.337 1.00 0.00 H new ATOM 0 HD1 TRP A 449 -2.192 11.017 8.611 1.00 0.00 H new ATOM 0 HE1 TRP A 449 -1.403 12.418 6.597 1.00 0.00 H new ATOM 0 HE3 TRP A 449 -4.557 8.449 4.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 449 -1.823 12.466 3.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 449 -4.354 9.213 2.508 1.00 0.00 H new ATOM 0 HH2 TRP A 449 -3.003 11.220 1.948 1.00 0.00 H new ATOM 403 N LYS A 450 -7.008 8.295 8.683 1.00 0.00 N ATOM 404 CA LYS A 450 -8.107 7.315 8.755 1.00 0.00 C ATOM 405 C LYS A 450 -8.378 6.688 7.380 1.00 0.00 C ATOM 406 O LYS A 450 -7.920 7.191 6.351 1.00 0.00 O ATOM 407 CB LYS A 450 -9.401 7.957 9.306 1.00 0.00 C ATOM 408 CG LYS A 450 -9.315 8.524 10.734 1.00 0.00 C ATOM 409 CD LYS A 450 -8.822 9.973 10.762 1.00 0.00 C ATOM 410 CE LYS A 450 -8.869 10.545 12.181 1.00 0.00 C ATOM 411 NZ LYS A 450 -8.188 11.863 12.239 1.00 0.00 N ATOM 0 H LYS A 450 -7.146 8.973 7.934 1.00 0.00 H new ATOM 0 HA LYS A 450 -7.794 6.530 9.443 1.00 0.00 H new ATOM 0 HB2 LYS A 450 -9.699 8.762 8.634 1.00 0.00 H new ATOM 0 HB3 LYS A 450 -10.194 7.210 9.280 1.00 0.00 H new ATOM 0 HG2 LYS A 450 -10.297 8.469 11.203 1.00 0.00 H new ATOM 0 HG3 LYS A 450 -8.643 7.904 11.328 1.00 0.00 H new ATOM 0 HD2 LYS A 450 -7.802 10.020 10.381 1.00 0.00 H new ATOM 0 HD3 LYS A 450 -9.438 10.582 10.101 1.00 0.00 H new ATOM 0 HE2 LYS A 450 -9.905 10.651 12.501 1.00 0.00 H new ATOM 0 HE3 LYS A 450 -8.391 9.852 12.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 450 -8.216 12.226 13.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 450 -7.198 11.756 11.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 450 -8.672 12.532 11.606 1.00 0.00 H new ATOM 425 N THR A 451 -9.206 5.643 7.344 1.00 0.00 N ATOM 426 CA THR A 451 -9.753 5.045 6.112 1.00 0.00 C ATOM 427 C THR A 451 -10.404 6.097 5.204 1.00 0.00 C ATOM 428 O THR A 451 -10.303 6.007 3.985 1.00 0.00 O ATOM 429 CB THR A 451 -10.796 3.960 6.435 1.00 0.00 C ATOM 430 OG1 THR A 451 -10.404 3.168 7.538 1.00 0.00 O ATOM 431 CG2 THR A 451 -11.024 3.013 5.259 1.00 0.00 C ATOM 0 H THR A 451 -9.527 5.172 8.190 1.00 0.00 H new ATOM 0 HA THR A 451 -8.908 4.599 5.588 1.00 0.00 H new ATOM 0 HB THR A 451 -11.714 4.502 6.662 1.00 0.00 H new ATOM 0 HG1 THR A 451 -11.090 2.491 7.715 1.00 0.00 H new ATOM 0 HG21 THR A 451 -11.767 2.265 5.533 1.00 0.00 H new ATOM 0 HG22 THR A 451 -11.380 3.580 4.399 1.00 0.00 H new ATOM 0 HG23 THR A 451 -10.087 2.517 5.004 1.00 0.00 H new ATOM 439 N SER A 452 -11.018 7.137 5.776 1.00 0.00 N ATOM 440 CA SER A 452 -11.592 8.264 5.026 1.00 0.00 C ATOM 441 C SER A 452 -10.556 9.104 4.270 1.00 0.00 C ATOM 442 O SER A 452 -10.780 9.460 3.113 1.00 0.00 O ATOM 443 CB SER A 452 -12.334 9.198 5.979 1.00 0.00 C ATOM 444 OG SER A 452 -13.440 8.534 6.573 1.00 0.00 O ATOM 0 H SER A 452 -11.133 7.223 6.786 1.00 0.00 H new ATOM 0 HA SER A 452 -12.258 7.813 4.290 1.00 0.00 H new ATOM 0 HB2 SER A 452 -11.654 9.548 6.756 1.00 0.00 H new ATOM 0 HB3 SER A 452 -12.680 10.078 5.437 1.00 0.00 H new ATOM 0 HG SER A 452 -13.902 9.148 7.182 1.00 0.00 H new ATOM 450 N ASP A 453 -9.406 9.401 4.885 1.00 0.00 N ATOM 451 CA ASP A 453 -8.293 10.091 4.212 1.00 0.00 C ATOM 452 C ASP A 453 -7.687 9.214 3.105 1.00 0.00 C ATOM 453 O ASP A 453 -7.250 9.714 2.068 1.00 0.00 O ATOM 454 CB ASP A 453 -7.194 10.459 5.219 1.00 0.00 C ATOM 455 CG ASP A 453 -7.703 11.337 6.365 1.00 0.00 C ATOM 456 OD1 ASP A 453 -8.008 12.533 6.135 1.00 0.00 O ATOM 457 OD2 ASP A 453 -7.788 10.826 7.506 1.00 0.00 O ATOM 0 H ASP A 453 -9.218 9.172 5.861 1.00 0.00 H new ATOM 0 HA ASP A 453 -8.696 11.000 3.766 1.00 0.00 H new ATOM 0 HB2 ASP A 453 -6.766 9.545 5.631 1.00 0.00 H new ATOM 0 HB3 ASP A 453 -6.391 10.981 4.698 1.00 0.00 H new ATOM 462 N LEU A 454 -7.715 7.893 3.304 1.00 0.00 N ATOM 463 CA LEU A 454 -7.279 6.909 2.308 1.00 0.00 C ATOM 464 C LEU A 454 -8.267 6.829 1.126 1.00 0.00 C ATOM 465 O LEU A 454 -7.841 6.872 -0.028 1.00 0.00 O ATOM 466 CB LEU A 454 -7.042 5.553 3.002 1.00 0.00 C ATOM 467 CG LEU A 454 -5.798 5.529 3.913 1.00 0.00 C ATOM 468 CD1 LEU A 454 -5.782 4.242 4.739 1.00 0.00 C ATOM 469 CD2 LEU A 454 -4.492 5.594 3.114 1.00 0.00 C ATOM 0 H LEU A 454 -8.045 7.471 4.172 1.00 0.00 H new ATOM 0 HA LEU A 454 -6.332 7.224 1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 454 -7.921 5.301 3.596 1.00 0.00 H new ATOM 0 HB3 LEU A 454 -6.939 4.779 2.241 1.00 0.00 H new ATOM 0 HG LEU A 454 -5.861 6.408 4.555 1.00 0.00 H new ATOM 0 HD11 LEU A 454 -4.900 4.232 5.380 1.00 0.00 H new ATOM 0 HD12 LEU A 454 -6.680 4.194 5.356 1.00 0.00 H new ATOM 0 HD13 LEU A 454 -5.754 3.381 4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 454 -3.645 5.574 3.799 1.00 0.00 H new ATOM 0 HD22 LEU A 454 -4.434 4.739 2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 454 -4.467 6.516 2.532 1.00 0.00 H new ATOM 481 N TYR A 455 -9.582 6.826 1.374 1.00 0.00 N ATOM 482 CA TYR A 455 -10.589 6.980 0.315 1.00 0.00 C ATOM 483 C TYR A 455 -10.390 8.289 -0.466 1.00 0.00 C ATOM 484 O TYR A 455 -10.401 8.266 -1.695 1.00 0.00 O ATOM 485 CB TYR A 455 -12.019 6.902 0.883 1.00 0.00 C ATOM 486 CG TYR A 455 -12.577 5.495 1.027 1.00 0.00 C ATOM 487 CD1 TYR A 455 -12.816 4.721 -0.125 1.00 0.00 C ATOM 488 CD2 TYR A 455 -12.904 4.977 2.295 1.00 0.00 C ATOM 489 CE1 TYR A 455 -13.335 3.416 -0.010 1.00 0.00 C ATOM 490 CE2 TYR A 455 -13.438 3.678 2.414 1.00 0.00 C ATOM 491 CZ TYR A 455 -13.644 2.889 1.261 1.00 0.00 C ATOM 492 OH TYR A 455 -14.148 1.628 1.365 1.00 0.00 O ATOM 0 H TYR A 455 -9.977 6.718 2.308 1.00 0.00 H new ATOM 0 HA TYR A 455 -10.454 6.150 -0.378 1.00 0.00 H new ATOM 0 HB2 TYR A 455 -12.032 7.384 1.861 1.00 0.00 H new ATOM 0 HB3 TYR A 455 -12.683 7.475 0.236 1.00 0.00 H new ATOM 0 HD1 TYR A 455 -12.600 5.130 -1.101 1.00 0.00 H new ATOM 0 HD2 TYR A 455 -12.745 5.577 3.179 1.00 0.00 H new ATOM 0 HE1 TYR A 455 -13.496 2.819 -0.896 1.00 0.00 H new ATOM 0 HE2 TYR A 455 -13.690 3.286 3.388 1.00 0.00 H new ATOM 0 HH TYR A 455 -14.306 1.416 2.309 1.00 0.00 H new ATOM 502 N GLN A 456 -10.135 9.413 0.213 1.00 0.00 N ATOM 503 CA GLN A 456 -9.856 10.704 -0.432 1.00 0.00 C ATOM 504 C GLN A 456 -8.577 10.685 -1.302 1.00 0.00 C ATOM 505 O GLN A 456 -8.530 11.345 -2.343 1.00 0.00 O ATOM 506 CB GLN A 456 -9.797 11.794 0.653 1.00 0.00 C ATOM 507 CG GLN A 456 -9.772 13.217 0.072 1.00 0.00 C ATOM 508 CD GLN A 456 -9.830 14.283 1.166 1.00 0.00 C ATOM 509 OE1 GLN A 456 -8.987 14.358 2.052 1.00 0.00 O ATOM 510 NE2 GLN A 456 -10.819 15.155 1.154 1.00 0.00 N ATOM 0 H GLN A 456 -10.116 9.454 1.232 1.00 0.00 H new ATOM 0 HA GLN A 456 -10.665 10.923 -1.129 1.00 0.00 H new ATOM 0 HB2 GLN A 456 -10.660 11.691 1.311 1.00 0.00 H new ATOM 0 HB3 GLN A 456 -8.908 11.642 1.266 1.00 0.00 H new ATOM 0 HG2 GLN A 456 -8.865 13.352 -0.518 1.00 0.00 H new ATOM 0 HG3 GLN A 456 -10.616 13.347 -0.606 1.00 0.00 H new ATOM 0 HE21 GLN A 456 -11.531 15.109 0.425 1.00 0.00 H new ATOM 0 HE22 GLN A 456 -10.872 15.875 1.874 1.00 0.00 H new ATOM 519 N LEU A 457 -7.553 9.914 -0.911 1.00 0.00 N ATOM 520 CA LEU A 457 -6.301 9.753 -1.661 1.00 0.00 C ATOM 521 C LEU A 457 -6.450 8.874 -2.923 1.00 0.00 C ATOM 522 O LEU A 457 -5.745 9.108 -3.908 1.00 0.00 O ATOM 523 CB LEU A 457 -5.228 9.204 -0.694 1.00 0.00 C ATOM 524 CG LEU A 457 -3.826 8.985 -1.298 1.00 0.00 C ATOM 525 CD1 LEU A 457 -3.231 10.256 -1.909 1.00 0.00 C ATOM 526 CD2 LEU A 457 -2.860 8.501 -0.213 1.00 0.00 C ATOM 0 H LEU A 457 -7.573 9.374 -0.046 1.00 0.00 H new ATOM 0 HA LEU A 457 -5.996 10.727 -2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -5.137 9.893 0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -5.581 8.255 -0.291 1.00 0.00 H new ATOM 0 HG LEU A 457 -3.951 8.245 -2.089 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -2.244 10.036 -2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -3.882 10.615 -2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -3.143 11.023 -1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -1.872 8.349 -0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -2.797 9.248 0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -3.222 7.561 0.204 1.00 0.00 H new ATOM 538 N PHE A 458 -7.375 7.904 -2.929 1.00 0.00 N ATOM 539 CA PHE A 458 -7.460 6.870 -3.981 1.00 0.00 C ATOM 540 C PHE A 458 -8.787 6.816 -4.770 1.00 0.00 C ATOM 541 O PHE A 458 -8.871 6.088 -5.761 1.00 0.00 O ATOM 542 CB PHE A 458 -7.088 5.510 -3.368 1.00 0.00 C ATOM 543 CG PHE A 458 -5.640 5.403 -2.927 1.00 0.00 C ATOM 544 CD1 PHE A 458 -4.619 5.306 -3.890 1.00 0.00 C ATOM 545 CD2 PHE A 458 -5.303 5.391 -1.561 1.00 0.00 C ATOM 546 CE1 PHE A 458 -3.275 5.228 -3.493 1.00 0.00 C ATOM 547 CE2 PHE A 458 -3.958 5.321 -1.163 1.00 0.00 C ATOM 548 CZ PHE A 458 -2.941 5.246 -2.129 1.00 0.00 C ATOM 0 H PHE A 458 -8.088 7.810 -2.206 1.00 0.00 H new ATOM 0 HA PHE A 458 -6.742 7.152 -4.751 1.00 0.00 H new ATOM 0 HB2 PHE A 458 -7.733 5.322 -2.509 1.00 0.00 H new ATOM 0 HB3 PHE A 458 -7.293 4.727 -4.098 1.00 0.00 H new ATOM 0 HD1 PHE A 458 -4.871 5.291 -4.940 1.00 0.00 H new ATOM 0 HD2 PHE A 458 -6.083 5.436 -0.815 1.00 0.00 H new ATOM 0 HE1 PHE A 458 -2.496 5.154 -4.238 1.00 0.00 H new ATOM 0 HE2 PHE A 458 -3.705 5.325 -0.113 1.00 0.00 H new ATOM 0 HZ PHE A 458 -1.906 5.202 -1.824 1.00 0.00 H new ATOM 558 N SER A 459 -9.801 7.616 -4.422 1.00 0.00 N ATOM 559 CA SER A 459 -11.060 7.748 -5.189 1.00 0.00 C ATOM 560 C SER A 459 -10.874 8.229 -6.640 1.00 0.00 C ATOM 561 O SER A 459 -11.731 7.978 -7.491 1.00 0.00 O ATOM 562 CB SER A 459 -12.036 8.688 -4.471 1.00 0.00 C ATOM 563 OG SER A 459 -11.488 9.993 -4.345 1.00 0.00 O ATOM 0 H SER A 459 -9.777 8.202 -3.588 1.00 0.00 H new ATOM 0 HA SER A 459 -11.465 6.737 -5.242 1.00 0.00 H new ATOM 0 HB2 SER A 459 -12.974 8.736 -5.024 1.00 0.00 H new ATOM 0 HB3 SER A 459 -12.269 8.291 -3.483 1.00 0.00 H new ATOM 0 HG SER A 459 -12.129 10.574 -3.885 1.00 0.00 H new ATOM 569 N ALA A 460 -9.736 8.862 -6.951 1.00 0.00 N ATOM 570 CA ALA A 460 -9.313 9.260 -8.298 1.00 0.00 C ATOM 571 C ALA A 460 -9.140 8.090 -9.299 1.00 0.00 C ATOM 572 O ALA A 460 -8.967 8.325 -10.498 1.00 0.00 O ATOM 573 CB ALA A 460 -8.007 10.055 -8.156 1.00 0.00 C ATOM 0 H ALA A 460 -9.055 9.122 -6.238 1.00 0.00 H new ATOM 0 HA ALA A 460 -10.112 9.863 -8.730 1.00 0.00 H new ATOM 0 HB1 ALA A 460 -7.662 10.368 -9.142 1.00 0.00 H new ATOM 0 HB2 ALA A 460 -8.182 10.935 -7.537 1.00 0.00 H new ATOM 0 HB3 ALA A 460 -7.248 9.428 -7.689 1.00 0.00 H new ATOM 579 N PHE A 461 -9.199 6.838 -8.825 1.00 0.00 N ATOM 580 CA PHE A 461 -8.896 5.617 -9.585 1.00 0.00 C ATOM 581 C PHE A 461 -10.093 4.648 -9.691 1.00 0.00 C ATOM 582 O PHE A 461 -9.920 3.480 -10.054 1.00 0.00 O ATOM 583 CB PHE A 461 -7.667 4.959 -8.937 1.00 0.00 C ATOM 584 CG PHE A 461 -6.452 5.867 -8.806 1.00 0.00 C ATOM 585 CD1 PHE A 461 -5.927 6.532 -9.932 1.00 0.00 C ATOM 586 CD2 PHE A 461 -5.856 6.066 -7.546 1.00 0.00 C ATOM 587 CE1 PHE A 461 -4.813 7.379 -9.800 1.00 0.00 C ATOM 588 CE2 PHE A 461 -4.742 6.916 -7.413 1.00 0.00 C ATOM 589 CZ PHE A 461 -4.217 7.568 -8.541 1.00 0.00 C ATOM 0 H PHE A 461 -9.470 6.640 -7.862 1.00 0.00 H new ATOM 0 HA PHE A 461 -8.679 5.884 -10.619 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -7.944 4.601 -7.945 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -7.388 4.085 -9.525 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -6.383 6.390 -10.901 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -6.256 5.564 -6.677 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -4.415 7.885 -10.667 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.291 7.067 -6.443 1.00 0.00 H new ATOM 0 HZ PHE A 461 -3.357 8.213 -8.441 1.00 0.00 H new ATOM 599 N GLY A 462 -11.310 5.115 -9.382 1.00 0.00 N ATOM 600 CA GLY A 462 -12.543 4.321 -9.436 1.00 0.00 C ATOM 601 C GLY A 462 -12.839 3.598 -8.118 1.00 0.00 C ATOM 602 O GLY A 462 -12.496 4.085 -7.038 1.00 0.00 O ATOM 0 H GLY A 462 -11.467 6.077 -9.081 1.00 0.00 H new ATOM 0 HA2 GLY A 462 -13.380 4.974 -9.683 1.00 0.00 H new ATOM 0 HA3 GLY A 462 -12.463 3.587 -10.238 1.00 0.00 H new ATOM 606 N ASN A 463 -13.490 2.433 -8.198 1.00 0.00 N ATOM 607 CA ASN A 463 -13.670 1.526 -7.058 1.00 0.00 C ATOM 608 C ASN A 463 -12.313 1.011 -6.532 1.00 0.00 C ATOM 609 O ASN A 463 -11.402 0.718 -7.312 1.00 0.00 O ATOM 610 CB ASN A 463 -14.580 0.357 -7.478 1.00 0.00 C ATOM 611 CG ASN A 463 -15.988 0.807 -7.836 1.00 0.00 C ATOM 612 OD1 ASN A 463 -16.298 1.115 -8.980 1.00 0.00 O ATOM 613 ND2 ASN A 463 -16.885 0.872 -6.876 1.00 0.00 N ATOM 0 H ASN A 463 -13.910 2.090 -9.062 1.00 0.00 H new ATOM 0 HA ASN A 463 -14.143 2.073 -6.242 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -14.138 -0.153 -8.334 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -14.630 -0.368 -6.666 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -17.835 1.178 -7.086 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -16.630 0.616 -5.922 1.00 0.00 H new ATOM 620 N ILE A 464 -12.195 0.869 -5.207 1.00 0.00 N ATOM 621 CA ILE A 464 -10.969 0.458 -4.495 1.00 0.00 C ATOM 622 C ILE A 464 -11.286 -0.457 -3.296 1.00 0.00 C ATOM 623 O ILE A 464 -12.450 -0.639 -2.927 1.00 0.00 O ATOM 624 CB ILE A 464 -10.151 1.696 -4.027 1.00 0.00 C ATOM 625 CG1 ILE A 464 -10.884 2.531 -2.950 1.00 0.00 C ATOM 626 CG2 ILE A 464 -9.720 2.572 -5.217 1.00 0.00 C ATOM 627 CD1 ILE A 464 -10.019 3.656 -2.372 1.00 0.00 C ATOM 0 H ILE A 464 -12.976 1.042 -4.574 1.00 0.00 H new ATOM 0 HA ILE A 464 -10.364 -0.111 -5.201 1.00 0.00 H new ATOM 0 HB ILE A 464 -9.251 1.304 -3.554 1.00 0.00 H new ATOM 0 HG12 ILE A 464 -11.787 2.961 -3.384 1.00 0.00 H new ATOM 0 HG13 ILE A 464 -11.201 1.872 -2.141 1.00 0.00 H new ATOM 0 HG21 ILE A 464 -9.151 3.427 -4.852 1.00 0.00 H new ATOM 0 HG22 ILE A 464 -9.099 1.986 -5.895 1.00 0.00 H new ATOM 0 HG23 ILE A 464 -10.604 2.925 -5.748 1.00 0.00 H new ATOM 0 HD11 ILE A 464 -10.589 4.205 -1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 464 -9.129 3.230 -1.910 1.00 0.00 H new ATOM 0 HD13 ILE A 464 -9.723 4.335 -3.172 1.00 0.00 H new ATOM 639 N GLN A 465 -10.244 -0.987 -2.651 1.00 0.00 N ATOM 640 CA GLN A 465 -10.320 -1.680 -1.358 1.00 0.00 C ATOM 641 C GLN A 465 -9.127 -1.256 -0.492 1.00 0.00 C ATOM 642 O GLN A 465 -8.022 -1.096 -1.009 1.00 0.00 O ATOM 643 CB GLN A 465 -10.329 -3.206 -1.564 1.00 0.00 C ATOM 644 CG GLN A 465 -10.807 -3.954 -0.307 1.00 0.00 C ATOM 645 CD GLN A 465 -10.677 -5.470 -0.449 1.00 0.00 C ATOM 646 OE1 GLN A 465 -11.269 -6.100 -1.319 1.00 0.00 O ATOM 647 NE2 GLN A 465 -9.904 -6.120 0.398 1.00 0.00 N ATOM 0 H GLN A 465 -9.295 -0.946 -3.023 1.00 0.00 H new ATOM 0 HA GLN A 465 -11.246 -1.407 -0.853 1.00 0.00 H new ATOM 0 HB2 GLN A 465 -10.979 -3.455 -2.403 1.00 0.00 H new ATOM 0 HB3 GLN A 465 -9.326 -3.542 -1.827 1.00 0.00 H new ATOM 0 HG2 GLN A 465 -10.227 -3.621 0.554 1.00 0.00 H new ATOM 0 HG3 GLN A 465 -11.848 -3.698 -0.108 1.00 0.00 H new ATOM 0 HE21 GLN A 465 -9.405 -5.610 1.127 1.00 0.00 H new ATOM 0 HE22 GLN A 465 -9.805 -7.132 0.324 1.00 0.00 H new ATOM 656 N ILE A 466 -9.332 -1.095 0.817 1.00 0.00 N ATOM 657 CA ILE A 466 -8.323 -0.626 1.779 1.00 0.00 C ATOM 658 C ILE A 466 -8.159 -1.693 2.871 1.00 0.00 C ATOM 659 O ILE A 466 -9.138 -2.097 3.506 1.00 0.00 O ATOM 660 CB ILE A 466 -8.734 0.752 2.360 1.00 0.00 C ATOM 661 CG1 ILE A 466 -8.920 1.814 1.245 1.00 0.00 C ATOM 662 CG2 ILE A 466 -7.679 1.225 3.379 1.00 0.00 C ATOM 663 CD1 ILE A 466 -9.632 3.090 1.710 1.00 0.00 C ATOM 0 H ILE A 466 -10.232 -1.293 1.254 1.00 0.00 H new ATOM 0 HA ILE A 466 -7.361 -0.483 1.287 1.00 0.00 H new ATOM 0 HB ILE A 466 -9.695 0.633 2.861 1.00 0.00 H new ATOM 0 HG12 ILE A 466 -7.942 2.081 0.846 1.00 0.00 H new ATOM 0 HG13 ILE A 466 -9.488 1.371 0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 466 -7.973 2.193 3.784 1.00 0.00 H new ATOM 0 HG22 ILE A 466 -7.605 0.500 4.190 1.00 0.00 H new ATOM 0 HG23 ILE A 466 -6.712 1.317 2.885 1.00 0.00 H new ATOM 0 HD11 ILE A 466 -9.723 3.782 0.873 1.00 0.00 H new ATOM 0 HD12 ILE A 466 -10.625 2.838 2.082 1.00 0.00 H new ATOM 0 HD13 ILE A 466 -9.055 3.559 2.507 1.00 0.00 H new ATOM 675 N SER A 467 -6.923 -2.153 3.079 1.00 0.00 N ATOM 676 CA SER A 467 -6.575 -3.308 3.914 1.00 0.00 C ATOM 677 C SER A 467 -5.370 -2.993 4.809 1.00 0.00 C ATOM 678 O SER A 467 -4.217 -3.098 4.385 1.00 0.00 O ATOM 679 CB SER A 467 -6.277 -4.521 3.023 1.00 0.00 C ATOM 680 OG SER A 467 -7.431 -4.956 2.314 1.00 0.00 O ATOM 0 H SER A 467 -6.105 -1.715 2.655 1.00 0.00 H new ATOM 0 HA SER A 467 -7.422 -3.538 4.560 1.00 0.00 H new ATOM 0 HB2 SER A 467 -5.490 -4.265 2.313 1.00 0.00 H new ATOM 0 HB3 SER A 467 -5.899 -5.338 3.637 1.00 0.00 H new ATOM 0 HG SER A 467 -7.201 -5.729 1.757 1.00 0.00 H new ATOM 686 N TRP A 468 -5.629 -2.569 6.048 1.00 0.00 N ATOM 687 CA TRP A 468 -4.599 -2.252 7.048 1.00 0.00 C ATOM 688 C TRP A 468 -3.631 -3.415 7.327 1.00 0.00 C ATOM 689 O TRP A 468 -4.013 -4.588 7.260 1.00 0.00 O ATOM 690 CB TRP A 468 -5.273 -1.856 8.364 1.00 0.00 C ATOM 691 CG TRP A 468 -6.200 -0.680 8.315 1.00 0.00 C ATOM 692 CD1 TRP A 468 -7.546 -0.744 8.224 1.00 0.00 C ATOM 693 CD2 TRP A 468 -5.882 0.736 8.463 1.00 0.00 C ATOM 694 NE1 TRP A 468 -8.075 0.533 8.212 1.00 0.00 N ATOM 695 CE2 TRP A 468 -7.093 1.486 8.372 1.00 0.00 C ATOM 696 CE3 TRP A 468 -4.700 1.459 8.724 1.00 0.00 C ATOM 697 CZ2 TRP A 468 -7.120 2.884 8.477 1.00 0.00 C ATOM 698 CZ3 TRP A 468 -4.726 2.859 8.859 1.00 0.00 C ATOM 699 CH2 TRP A 468 -5.924 3.579 8.711 1.00 0.00 C ATOM 0 H TRP A 468 -6.579 -2.433 6.394 1.00 0.00 H new ATOM 0 HA TRP A 468 -4.011 -1.433 6.633 1.00 0.00 H new ATOM 0 HB2 TRP A 468 -5.832 -2.716 8.733 1.00 0.00 H new ATOM 0 HB3 TRP A 468 -4.494 -1.645 9.096 1.00 0.00 H new ATOM 0 HD1 TRP A 468 -8.122 -1.656 8.169 1.00 0.00 H new ATOM 0 HE1 TRP A 468 -9.067 0.743 8.099 1.00 0.00 H new ATOM 0 HE3 TRP A 468 -3.763 0.931 8.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 468 -8.052 3.420 8.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 468 -3.811 3.389 9.080 1.00 0.00 H new ATOM 0 HH2 TRP A 468 -5.924 4.657 8.777 1.00 0.00 H new ATOM 710 N ILE A 469 -2.405 -3.077 7.742 1.00 0.00 N ATOM 711 CA ILE A 469 -1.402 -4.026 8.256 1.00 0.00 C ATOM 712 C ILE A 469 -0.786 -3.590 9.597 1.00 0.00 C ATOM 713 O ILE A 469 -0.326 -4.439 10.362 1.00 0.00 O ATOM 714 CB ILE A 469 -0.307 -4.303 7.203 1.00 0.00 C ATOM 715 CG1 ILE A 469 0.352 -3.024 6.637 1.00 0.00 C ATOM 716 CG2 ILE A 469 -0.883 -5.171 6.075 1.00 0.00 C ATOM 717 CD1 ILE A 469 1.588 -3.306 5.775 1.00 0.00 C ATOM 0 H ILE A 469 -2.071 -2.113 7.731 1.00 0.00 H new ATOM 0 HA ILE A 469 -1.935 -4.956 8.454 1.00 0.00 H new ATOM 0 HB ILE A 469 0.493 -4.840 7.712 1.00 0.00 H new ATOM 0 HG12 ILE A 469 -0.381 -2.480 6.041 1.00 0.00 H new ATOM 0 HG13 ILE A 469 0.636 -2.374 7.465 1.00 0.00 H new ATOM 0 HG21 ILE A 469 -0.108 -5.365 5.333 1.00 0.00 H new ATOM 0 HG22 ILE A 469 -1.235 -6.116 6.487 1.00 0.00 H new ATOM 0 HG23 ILE A 469 -1.715 -4.649 5.603 1.00 0.00 H new ATOM 0 HD11 ILE A 469 2.000 -2.365 5.411 1.00 0.00 H new ATOM 0 HD12 ILE A 469 2.338 -3.823 6.373 1.00 0.00 H new ATOM 0 HD13 ILE A 469 1.306 -3.931 4.928 1.00 0.00 H new ATOM 729 N ASP A 470 -0.829 -2.294 9.915 1.00 0.00 N ATOM 730 CA ASP A 470 -0.493 -1.696 11.217 1.00 0.00 C ATOM 731 C ASP A 470 -1.080 -0.264 11.317 1.00 0.00 C ATOM 732 O ASP A 470 -1.834 0.169 10.442 1.00 0.00 O ATOM 733 CB ASP A 470 1.032 -1.730 11.443 1.00 0.00 C ATOM 734 CG ASP A 470 1.810 -0.995 10.348 1.00 0.00 C ATOM 735 OD1 ASP A 470 1.682 0.246 10.274 1.00 0.00 O ATOM 736 OD2 ASP A 470 2.551 -1.660 9.582 1.00 0.00 O ATOM 0 H ASP A 470 -1.115 -1.590 9.234 1.00 0.00 H new ATOM 0 HA ASP A 470 -0.946 -2.283 12.016 1.00 0.00 H new ATOM 0 HB2 ASP A 470 1.262 -1.281 12.409 1.00 0.00 H new ATOM 0 HB3 ASP A 470 1.365 -2.767 11.486 1.00 0.00 H new ATOM 741 N ASP A 471 -0.774 0.479 12.384 1.00 0.00 N ATOM 742 CA ASP A 471 -1.335 1.816 12.633 1.00 0.00 C ATOM 743 C ASP A 471 -0.782 2.957 11.752 1.00 0.00 C ATOM 744 O ASP A 471 -1.297 4.074 11.837 1.00 0.00 O ATOM 745 CB ASP A 471 -1.225 2.171 14.122 1.00 0.00 C ATOM 746 CG ASP A 471 0.188 2.529 14.613 1.00 0.00 C ATOM 747 OD1 ASP A 471 1.125 1.714 14.434 1.00 0.00 O ATOM 748 OD2 ASP A 471 0.347 3.600 15.245 1.00 0.00 O ATOM 0 H ASP A 471 -0.125 0.170 13.107 1.00 0.00 H new ATOM 0 HA ASP A 471 -2.381 1.737 12.336 1.00 0.00 H new ATOM 0 HB2 ASP A 471 -1.886 3.013 14.327 1.00 0.00 H new ATOM 0 HB3 ASP A 471 -1.592 1.328 14.707 1.00 0.00 H new ATOM 753 N THR A 472 0.226 2.714 10.906 1.00 0.00 N ATOM 754 CA THR A 472 0.876 3.738 10.056 1.00 0.00 C ATOM 755 C THR A 472 1.116 3.288 8.604 1.00 0.00 C ATOM 756 O THR A 472 1.622 4.069 7.792 1.00 0.00 O ATOM 757 CB THR A 472 2.186 4.254 10.684 1.00 0.00 C ATOM 758 OG1 THR A 472 3.128 3.218 10.881 1.00 0.00 O ATOM 759 CG2 THR A 472 1.936 4.916 12.041 1.00 0.00 C ATOM 0 H THR A 472 0.626 1.784 10.785 1.00 0.00 H new ATOM 0 HA THR A 472 0.160 4.558 10.008 1.00 0.00 H new ATOM 0 HB THR A 472 2.583 4.981 9.976 1.00 0.00 H new ATOM 0 HG1 THR A 472 2.708 2.353 10.689 1.00 0.00 H new ATOM 0 HG21 THR A 472 2.881 5.268 12.454 1.00 0.00 H new ATOM 0 HG22 THR A 472 1.259 5.761 11.915 1.00 0.00 H new ATOM 0 HG23 THR A 472 1.489 4.192 12.722 1.00 0.00 H new ATOM 767 N SER A 473 0.687 2.070 8.248 1.00 0.00 N ATOM 768 CA SER A 473 0.713 1.524 6.887 1.00 0.00 C ATOM 769 C SER A 473 -0.489 0.625 6.571 1.00 0.00 C ATOM 770 O SER A 473 -1.029 -0.074 7.434 1.00 0.00 O ATOM 771 CB SER A 473 1.981 0.692 6.647 1.00 0.00 C ATOM 772 OG SER A 473 3.155 1.483 6.567 1.00 0.00 O ATOM 0 H SER A 473 0.298 1.415 8.926 1.00 0.00 H new ATOM 0 HA SER A 473 0.685 2.396 6.234 1.00 0.00 H new ATOM 0 HB2 SER A 473 2.092 -0.032 7.454 1.00 0.00 H new ATOM 0 HB3 SER A 473 1.868 0.125 5.723 1.00 0.00 H new ATOM 0 HG SER A 473 2.953 2.398 6.852 1.00 0.00 H new ATOM 778 N ALA A 474 -0.867 0.598 5.291 1.00 0.00 N ATOM 779 CA ALA A 474 -1.952 -0.221 4.749 1.00 0.00 C ATOM 780 C ALA A 474 -1.709 -0.577 3.271 1.00 0.00 C ATOM 781 O ALA A 474 -0.996 0.135 2.558 1.00 0.00 O ATOM 782 CB ALA A 474 -3.266 0.564 4.894 1.00 0.00 C ATOM 0 H ALA A 474 -0.409 1.166 4.579 1.00 0.00 H new ATOM 0 HA ALA A 474 -2.002 -1.159 5.303 1.00 0.00 H new ATOM 0 HB1 ALA A 474 -4.090 -0.029 4.496 1.00 0.00 H new ATOM 0 HB2 ALA A 474 -3.448 0.777 5.947 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -3.193 1.501 4.342 1.00 0.00 H new ATOM 788 N PHE A 475 -2.328 -1.662 2.802 1.00 0.00 N ATOM 789 CA PHE A 475 -2.415 -1.990 1.379 1.00 0.00 C ATOM 790 C PHE A 475 -3.680 -1.358 0.773 1.00 0.00 C ATOM 791 O PHE A 475 -4.696 -1.208 1.459 1.00 0.00 O ATOM 792 CB PHE A 475 -2.452 -3.512 1.169 1.00 0.00 C ATOM 793 CG PHE A 475 -1.181 -4.261 1.525 1.00 0.00 C ATOM 794 CD1 PHE A 475 0.029 -3.957 0.872 1.00 0.00 C ATOM 795 CD2 PHE A 475 -1.220 -5.314 2.459 1.00 0.00 C ATOM 796 CE1 PHE A 475 1.200 -4.679 1.174 1.00 0.00 C ATOM 797 CE2 PHE A 475 -0.059 -6.054 2.738 1.00 0.00 C ATOM 798 CZ PHE A 475 1.153 -5.732 2.103 1.00 0.00 C ATOM 0 H PHE A 475 -2.787 -2.344 3.406 1.00 0.00 H new ATOM 0 HA PHE A 475 -1.531 -1.591 0.882 1.00 0.00 H new ATOM 0 HB2 PHE A 475 -3.270 -3.921 1.762 1.00 0.00 H new ATOM 0 HB3 PHE A 475 -2.686 -3.709 0.123 1.00 0.00 H new ATOM 0 HD1 PHE A 475 0.059 -3.167 0.136 1.00 0.00 H new ATOM 0 HD2 PHE A 475 -2.145 -5.553 2.962 1.00 0.00 H new ATOM 0 HE1 PHE A 475 2.132 -4.424 0.692 1.00 0.00 H new ATOM 0 HE2 PHE A 475 -0.098 -6.872 3.442 1.00 0.00 H new ATOM 0 HZ PHE A 475 2.047 -6.294 2.329 1.00 0.00 H new ATOM 808 N VAL A 476 -3.644 -1.034 -0.524 1.00 0.00 N ATOM 809 CA VAL A 476 -4.789 -0.482 -1.271 1.00 0.00 C ATOM 810 C VAL A 476 -4.884 -1.122 -2.658 1.00 0.00 C ATOM 811 O VAL A 476 -4.003 -0.942 -3.499 1.00 0.00 O ATOM 812 CB VAL A 476 -4.733 1.059 -1.375 1.00 0.00 C ATOM 813 CG1 VAL A 476 -5.935 1.611 -2.158 1.00 0.00 C ATOM 814 CG2 VAL A 476 -4.757 1.720 0.011 1.00 0.00 C ATOM 0 H VAL A 476 -2.808 -1.148 -1.097 1.00 0.00 H new ATOM 0 HA VAL A 476 -5.691 -0.728 -0.710 1.00 0.00 H new ATOM 0 HB VAL A 476 -3.801 1.291 -1.890 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -5.866 2.697 -2.213 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -5.934 1.196 -3.166 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -6.859 1.332 -1.651 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -4.716 2.803 -0.102 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -5.675 1.443 0.530 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -3.897 1.383 0.590 1.00 0.00 H new ATOM 824 N SER A 477 -5.956 -1.874 -2.897 1.00 0.00 N ATOM 825 CA SER A 477 -6.320 -2.418 -4.214 1.00 0.00 C ATOM 826 C SER A 477 -6.991 -1.343 -5.072 1.00 0.00 C ATOM 827 O SER A 477 -7.856 -0.619 -4.574 1.00 0.00 O ATOM 828 CB SER A 477 -7.322 -3.569 -4.054 1.00 0.00 C ATOM 829 OG SER A 477 -6.813 -4.584 -3.204 1.00 0.00 O ATOM 0 H SER A 477 -6.617 -2.132 -2.164 1.00 0.00 H new ATOM 0 HA SER A 477 -5.404 -2.768 -4.691 1.00 0.00 H new ATOM 0 HB2 SER A 477 -8.257 -3.185 -3.646 1.00 0.00 H new ATOM 0 HB3 SER A 477 -7.551 -3.992 -5.032 1.00 0.00 H new ATOM 0 HG SER A 477 -7.474 -5.302 -3.120 1.00 0.00 H new ATOM 835 N LEU A 478 -6.660 -1.281 -6.365 1.00 0.00 N ATOM 836 CA LEU A 478 -7.277 -0.369 -7.341 1.00 0.00 C ATOM 837 C LEU A 478 -8.080 -1.136 -8.409 1.00 0.00 C ATOM 838 O LEU A 478 -7.927 -2.351 -8.567 1.00 0.00 O ATOM 839 CB LEU A 478 -6.191 0.515 -7.987 1.00 0.00 C ATOM 840 CG LEU A 478 -5.388 1.410 -7.022 1.00 0.00 C ATOM 841 CD1 LEU A 478 -4.474 2.316 -7.840 1.00 0.00 C ATOM 842 CD2 LEU A 478 -6.269 2.321 -6.169 1.00 0.00 C ATOM 0 H LEU A 478 -5.940 -1.876 -6.775 1.00 0.00 H new ATOM 0 HA LEU A 478 -7.985 0.271 -6.814 1.00 0.00 H new ATOM 0 HB2 LEU A 478 -5.492 -0.132 -8.518 1.00 0.00 H new ATOM 0 HB3 LEU A 478 -6.665 1.153 -8.733 1.00 0.00 H new ATOM 0 HG LEU A 478 -4.841 0.740 -6.359 1.00 0.00 H new ATOM 0 HD11 LEU A 478 -3.900 2.955 -7.169 1.00 0.00 H new ATOM 0 HD12 LEU A 478 -3.792 1.706 -8.432 1.00 0.00 H new ATOM 0 HD13 LEU A 478 -5.076 2.936 -8.504 1.00 0.00 H new ATOM 0 HD21 LEU A 478 -5.641 2.924 -5.513 1.00 0.00 H new ATOM 0 HD22 LEU A 478 -6.850 2.977 -6.818 1.00 0.00 H new ATOM 0 HD23 LEU A 478 -6.945 1.714 -5.567 1.00 0.00 H new ATOM 854 N SER A 479 -8.936 -0.421 -9.148 1.00 0.00 N ATOM 855 CA SER A 479 -9.849 -0.993 -10.156 1.00 0.00 C ATOM 856 C SER A 479 -9.130 -1.827 -11.230 1.00 0.00 C ATOM 857 O SER A 479 -9.588 -2.918 -11.584 1.00 0.00 O ATOM 858 CB SER A 479 -10.650 0.143 -10.808 1.00 0.00 C ATOM 859 OG SER A 479 -11.649 -0.374 -11.674 1.00 0.00 O ATOM 0 H SER A 479 -9.018 0.592 -9.064 1.00 0.00 H new ATOM 0 HA SER A 479 -10.515 -1.683 -9.638 1.00 0.00 H new ATOM 0 HB2 SER A 479 -11.114 0.756 -10.035 1.00 0.00 H new ATOM 0 HB3 SER A 479 -9.978 0.792 -11.369 1.00 0.00 H new ATOM 0 HG SER A 479 -12.148 0.367 -12.077 1.00 0.00 H new ATOM 865 N GLN A 480 -7.970 -1.354 -11.702 1.00 0.00 N ATOM 866 CA GLN A 480 -7.078 -2.029 -12.654 1.00 0.00 C ATOM 867 C GLN A 480 -5.597 -1.692 -12.360 1.00 0.00 C ATOM 868 O GLN A 480 -5.309 -0.690 -11.693 1.00 0.00 O ATOM 869 CB GLN A 480 -7.460 -1.616 -14.098 1.00 0.00 C ATOM 870 CG GLN A 480 -8.686 -2.338 -14.677 1.00 0.00 C ATOM 871 CD GLN A 480 -8.504 -3.850 -14.796 1.00 0.00 C ATOM 872 OE1 GLN A 480 -7.949 -4.368 -15.757 1.00 0.00 O ATOM 873 NE2 GLN A 480 -8.959 -4.619 -13.829 1.00 0.00 N ATOM 0 H GLN A 480 -7.609 -0.444 -11.416 1.00 0.00 H new ATOM 0 HA GLN A 480 -7.196 -3.107 -12.547 1.00 0.00 H new ATOM 0 HB2 GLN A 480 -7.648 -0.542 -14.115 1.00 0.00 H new ATOM 0 HB3 GLN A 480 -6.607 -1.801 -14.750 1.00 0.00 H new ATOM 0 HG2 GLN A 480 -9.550 -2.133 -14.045 1.00 0.00 H new ATOM 0 HG3 GLN A 480 -8.907 -1.928 -15.663 1.00 0.00 H new ATOM 0 HE21 GLN A 480 -9.424 -4.203 -13.022 1.00 0.00 H new ATOM 0 HE22 GLN A 480 -8.847 -5.631 -13.887 1.00 0.00 H new ATOM 882 N PRO A 481 -4.635 -2.498 -12.855 1.00 0.00 N ATOM 883 CA PRO A 481 -3.202 -2.285 -12.616 1.00 0.00 C ATOM 884 C PRO A 481 -2.617 -1.068 -13.353 1.00 0.00 C ATOM 885 O PRO A 481 -1.514 -0.624 -13.038 1.00 0.00 O ATOM 886 CB PRO A 481 -2.526 -3.588 -13.043 1.00 0.00 C ATOM 887 CG PRO A 481 -3.454 -4.141 -14.119 1.00 0.00 C ATOM 888 CD PRO A 481 -4.837 -3.723 -13.624 1.00 0.00 C ATOM 0 HA PRO A 481 -3.027 -2.050 -11.566 1.00 0.00 H new ATOM 0 HB2 PRO A 481 -1.523 -3.410 -13.432 1.00 0.00 H new ATOM 0 HB3 PRO A 481 -2.426 -4.280 -12.207 1.00 0.00 H new ATOM 0 HG2 PRO A 481 -3.232 -3.720 -15.100 1.00 0.00 H new ATOM 0 HG3 PRO A 481 -3.368 -5.224 -14.210 1.00 0.00 H new ATOM 0 HD2 PRO A 481 -5.515 -3.552 -14.460 1.00 0.00 H new ATOM 0 HD3 PRO A 481 -5.283 -4.503 -13.006 1.00 0.00 H new ATOM 896 N GLU A 482 -3.345 -0.485 -14.306 1.00 0.00 N ATOM 897 CA GLU A 482 -2.950 0.763 -14.982 1.00 0.00 C ATOM 898 C GLU A 482 -2.835 1.951 -14.005 1.00 0.00 C ATOM 899 O GLU A 482 -1.907 2.756 -14.109 1.00 0.00 O ATOM 900 CB GLU A 482 -3.952 1.098 -16.100 1.00 0.00 C ATOM 901 CG GLU A 482 -3.969 0.044 -17.216 1.00 0.00 C ATOM 902 CD GLU A 482 -4.895 0.475 -18.368 1.00 0.00 C ATOM 903 OE1 GLU A 482 -6.126 0.229 -18.292 1.00 0.00 O ATOM 904 OE2 GLU A 482 -4.403 1.060 -19.366 1.00 0.00 O ATOM 0 H GLU A 482 -4.232 -0.864 -14.637 1.00 0.00 H new ATOM 0 HA GLU A 482 -1.961 0.598 -15.410 1.00 0.00 H new ATOM 0 HB2 GLU A 482 -4.951 1.185 -15.673 1.00 0.00 H new ATOM 0 HB3 GLU A 482 -3.702 2.069 -16.527 1.00 0.00 H new ATOM 0 HG2 GLU A 482 -2.958 -0.107 -17.594 1.00 0.00 H new ATOM 0 HG3 GLU A 482 -4.304 -0.912 -16.813 1.00 0.00 H new ATOM 911 N GLN A 483 -3.741 2.049 -13.025 1.00 0.00 N ATOM 912 CA GLN A 483 -3.773 3.140 -12.038 1.00 0.00 C ATOM 913 C GLN A 483 -2.701 3.000 -10.939 1.00 0.00 C ATOM 914 O GLN A 483 -2.317 3.998 -10.327 1.00 0.00 O ATOM 915 CB GLN A 483 -5.177 3.249 -11.419 1.00 0.00 C ATOM 916 CG GLN A 483 -6.239 3.816 -12.383 1.00 0.00 C ATOM 917 CD GLN A 483 -6.619 2.888 -13.535 1.00 0.00 C ATOM 918 OE1 GLN A 483 -6.706 1.677 -13.394 1.00 0.00 O ATOM 919 NE2 GLN A 483 -6.851 3.408 -14.721 1.00 0.00 N ATOM 0 H GLN A 483 -4.484 1.364 -12.892 1.00 0.00 H new ATOM 0 HA GLN A 483 -3.537 4.059 -12.575 1.00 0.00 H new ATOM 0 HB2 GLN A 483 -5.494 2.261 -11.084 1.00 0.00 H new ATOM 0 HB3 GLN A 483 -5.126 3.884 -10.535 1.00 0.00 H new ATOM 0 HG2 GLN A 483 -7.138 4.052 -11.813 1.00 0.00 H new ATOM 0 HG3 GLN A 483 -5.869 4.754 -12.797 1.00 0.00 H new ATOM 0 HE21 GLN A 483 -6.783 4.417 -14.858 1.00 0.00 H new ATOM 0 HE22 GLN A 483 -7.099 2.803 -15.504 1.00 0.00 H new ATOM 928 N VAL A 484 -2.164 1.792 -10.722 1.00 0.00 N ATOM 929 CA VAL A 484 -1.035 1.526 -9.804 1.00 0.00 C ATOM 930 C VAL A 484 0.196 2.346 -10.211 1.00 0.00 C ATOM 931 O VAL A 484 0.812 3.003 -9.371 1.00 0.00 O ATOM 932 CB VAL A 484 -0.725 0.011 -9.778 1.00 0.00 C ATOM 933 CG1 VAL A 484 0.514 -0.398 -8.977 1.00 0.00 C ATOM 934 CG2 VAL A 484 -1.909 -0.769 -9.193 1.00 0.00 C ATOM 0 H VAL A 484 -2.506 0.951 -11.187 1.00 0.00 H new ATOM 0 HA VAL A 484 -1.313 1.834 -8.796 1.00 0.00 H new ATOM 0 HB VAL A 484 -0.533 -0.229 -10.824 1.00 0.00 H new ATOM 0 HG11 VAL A 484 0.638 -1.480 -9.025 1.00 0.00 H new ATOM 0 HG12 VAL A 484 1.395 0.087 -9.397 1.00 0.00 H new ATOM 0 HG13 VAL A 484 0.392 -0.093 -7.938 1.00 0.00 H new ATOM 0 HG21 VAL A 484 -1.674 -1.833 -9.182 1.00 0.00 H new ATOM 0 HG22 VAL A 484 -2.101 -0.429 -8.175 1.00 0.00 H new ATOM 0 HG23 VAL A 484 -2.795 -0.599 -9.805 1.00 0.00 H new ATOM 944 N GLN A 485 0.510 2.385 -11.510 1.00 0.00 N ATOM 945 CA GLN A 485 1.591 3.210 -12.062 1.00 0.00 C ATOM 946 C GLN A 485 1.350 4.715 -11.832 1.00 0.00 C ATOM 947 O GLN A 485 2.282 5.441 -11.481 1.00 0.00 O ATOM 948 CB GLN A 485 1.745 2.883 -13.558 1.00 0.00 C ATOM 949 CG GLN A 485 2.972 3.557 -14.195 1.00 0.00 C ATOM 950 CD GLN A 485 3.137 3.190 -15.672 1.00 0.00 C ATOM 951 OE1 GLN A 485 3.121 2.030 -16.069 1.00 0.00 O ATOM 952 NE2 GLN A 485 3.306 4.158 -16.552 1.00 0.00 N ATOM 0 H GLN A 485 0.016 1.839 -12.216 1.00 0.00 H new ATOM 0 HA GLN A 485 2.518 2.974 -11.540 1.00 0.00 H new ATOM 0 HB2 GLN A 485 1.825 1.803 -13.682 1.00 0.00 H new ATOM 0 HB3 GLN A 485 0.847 3.200 -14.088 1.00 0.00 H new ATOM 0 HG2 GLN A 485 2.879 4.639 -14.100 1.00 0.00 H new ATOM 0 HG3 GLN A 485 3.869 3.265 -13.648 1.00 0.00 H new ATOM 0 HE21 GLN A 485 3.323 5.130 -16.244 1.00 0.00 H new ATOM 0 HE22 GLN A 485 3.420 3.934 -17.541 1.00 0.00 H new ATOM 961 N ILE A 486 0.105 5.183 -11.987 1.00 0.00 N ATOM 962 CA ILE A 486 -0.263 6.596 -11.788 1.00 0.00 C ATOM 963 C ILE A 486 -0.073 7.009 -10.320 1.00 0.00 C ATOM 964 O ILE A 486 0.546 8.036 -10.058 1.00 0.00 O ATOM 965 CB ILE A 486 -1.701 6.895 -12.282 1.00 0.00 C ATOM 966 CG1 ILE A 486 -1.891 6.449 -13.753 1.00 0.00 C ATOM 967 CG2 ILE A 486 -1.995 8.403 -12.144 1.00 0.00 C ATOM 968 CD1 ILE A 486 -3.315 6.629 -14.297 1.00 0.00 C ATOM 0 H ILE A 486 -0.681 4.591 -12.255 1.00 0.00 H new ATOM 0 HA ILE A 486 0.410 7.200 -12.397 1.00 0.00 H new ATOM 0 HB ILE A 486 -2.400 6.330 -11.666 1.00 0.00 H new ATOM 0 HG12 ILE A 486 -1.202 7.013 -14.382 1.00 0.00 H new ATOM 0 HG13 ILE A 486 -1.614 5.398 -13.839 1.00 0.00 H new ATOM 0 HG21 ILE A 486 -3.007 8.610 -12.492 1.00 0.00 H new ATOM 0 HG22 ILE A 486 -1.904 8.697 -11.098 1.00 0.00 H new ATOM 0 HG23 ILE A 486 -1.282 8.969 -12.744 1.00 0.00 H new ATOM 0 HD11 ILE A 486 -3.354 6.291 -15.333 1.00 0.00 H new ATOM 0 HD12 ILE A 486 -4.011 6.042 -13.697 1.00 0.00 H new ATOM 0 HD13 ILE A 486 -3.593 7.682 -14.248 1.00 0.00 H new ATOM 980 N ALA A 487 -0.523 6.202 -9.356 1.00 0.00 N ATOM 981 CA ALA A 487 -0.344 6.488 -7.929 1.00 0.00 C ATOM 982 C ALA A 487 1.137 6.514 -7.490 1.00 0.00 C ATOM 983 O ALA A 487 1.534 7.338 -6.661 1.00 0.00 O ATOM 984 CB ALA A 487 -1.125 5.436 -7.142 1.00 0.00 C ATOM 0 H ALA A 487 -1.022 5.332 -9.542 1.00 0.00 H new ATOM 0 HA ALA A 487 -0.721 7.491 -7.728 1.00 0.00 H new ATOM 0 HB1 ALA A 487 -1.011 5.622 -6.074 1.00 0.00 H new ATOM 0 HB2 ALA A 487 -2.180 5.491 -7.410 1.00 0.00 H new ATOM 0 HB3 ALA A 487 -0.741 4.444 -7.380 1.00 0.00 H new ATOM 990 N VAL A 488 1.984 5.651 -8.064 1.00 0.00 N ATOM 991 CA VAL A 488 3.446 5.720 -7.871 1.00 0.00 C ATOM 992 C VAL A 488 4.023 7.009 -8.484 1.00 0.00 C ATOM 993 O VAL A 488 4.850 7.670 -7.849 1.00 0.00 O ATOM 994 CB VAL A 488 4.132 4.451 -8.422 1.00 0.00 C ATOM 995 CG1 VAL A 488 5.663 4.544 -8.414 1.00 0.00 C ATOM 996 CG2 VAL A 488 3.752 3.233 -7.566 1.00 0.00 C ATOM 0 H VAL A 488 1.683 4.889 -8.672 1.00 0.00 H new ATOM 0 HA VAL A 488 3.653 5.758 -6.801 1.00 0.00 H new ATOM 0 HB VAL A 488 3.789 4.351 -9.452 1.00 0.00 H new ATOM 0 HG11 VAL A 488 6.086 3.622 -8.813 1.00 0.00 H new ATOM 0 HG12 VAL A 488 5.980 5.385 -9.031 1.00 0.00 H new ATOM 0 HG13 VAL A 488 6.013 4.691 -7.392 1.00 0.00 H new ATOM 0 HG21 VAL A 488 4.241 2.343 -7.962 1.00 0.00 H new ATOM 0 HG22 VAL A 488 4.074 3.396 -6.538 1.00 0.00 H new ATOM 0 HG23 VAL A 488 2.671 3.095 -7.590 1.00 0.00 H new ATOM 1006 N ASN A 489 3.556 7.423 -9.669 1.00 0.00 N ATOM 1007 CA ASN A 489 3.965 8.676 -10.317 1.00 0.00 C ATOM 1008 C ASN A 489 3.581 9.930 -9.508 1.00 0.00 C ATOM 1009 O ASN A 489 4.367 10.874 -9.428 1.00 0.00 O ATOM 1010 CB ASN A 489 3.349 8.749 -11.726 1.00 0.00 C ATOM 1011 CG ASN A 489 3.939 9.883 -12.552 1.00 0.00 C ATOM 1012 OD1 ASN A 489 5.146 9.993 -12.733 1.00 0.00 O ATOM 1013 ND2 ASN A 489 3.118 10.762 -13.082 1.00 0.00 N ATOM 0 H ASN A 489 2.875 6.891 -10.211 1.00 0.00 H new ATOM 0 HA ASN A 489 5.053 8.666 -10.377 1.00 0.00 H new ATOM 0 HB2 ASN A 489 3.512 7.803 -12.242 1.00 0.00 H new ATOM 0 HB3 ASN A 489 2.271 8.885 -11.643 1.00 0.00 H new ATOM 0 HD21 ASN A 489 3.486 11.531 -13.641 1.00 0.00 H new ATOM 0 HD22 ASN A 489 2.113 10.675 -12.934 1.00 0.00 H new ATOM 1020 N THR A 490 2.393 9.957 -8.900 1.00 0.00 N ATOM 1021 CA THR A 490 1.897 11.106 -8.118 1.00 0.00 C ATOM 1022 C THR A 490 2.541 11.204 -6.731 1.00 0.00 C ATOM 1023 O THR A 490 2.794 12.312 -6.250 1.00 0.00 O ATOM 1024 CB THR A 490 0.365 11.073 -7.998 1.00 0.00 C ATOM 1025 OG1 THR A 490 -0.089 9.854 -7.464 1.00 0.00 O ATOM 1026 CG2 THR A 490 -0.295 11.279 -9.366 1.00 0.00 C ATOM 0 H THR A 490 1.737 9.177 -8.933 1.00 0.00 H new ATOM 0 HA THR A 490 2.189 12.000 -8.669 1.00 0.00 H new ATOM 0 HB THR A 490 0.088 11.884 -7.324 1.00 0.00 H new ATOM 0 HG1 THR A 490 0.680 9.300 -7.215 1.00 0.00 H new ATOM 0 HG21 THR A 490 -1.379 11.252 -9.255 1.00 0.00 H new ATOM 0 HG22 THR A 490 0.004 12.245 -9.772 1.00 0.00 H new ATOM 0 HG23 THR A 490 0.020 10.487 -10.045 1.00 0.00 H new ATOM 1034 N SER A 491 2.914 10.072 -6.118 1.00 0.00 N ATOM 1035 CA SER A 491 3.668 10.025 -4.851 1.00 0.00 C ATOM 1036 C SER A 491 5.055 10.689 -4.916 1.00 0.00 C ATOM 1037 O SER A 491 5.585 11.105 -3.883 1.00 0.00 O ATOM 1038 CB SER A 491 3.792 8.576 -4.379 1.00 0.00 C ATOM 1039 OG SER A 491 4.293 8.502 -3.052 1.00 0.00 O ATOM 0 H SER A 491 2.699 9.148 -6.492 1.00 0.00 H new ATOM 0 HA SER A 491 3.097 10.613 -4.132 1.00 0.00 H new ATOM 0 HB2 SER A 491 2.817 8.091 -4.428 1.00 0.00 H new ATOM 0 HB3 SER A 491 4.454 8.029 -5.050 1.00 0.00 H new ATOM 0 HG SER A 491 5.203 8.137 -3.066 1.00 0.00 H new ATOM 1045 N LYS A 492 5.620 10.875 -6.119 1.00 0.00 N ATOM 1046 CA LYS A 492 6.834 11.678 -6.384 1.00 0.00 C ATOM 1047 C LYS A 492 6.746 13.122 -5.850 1.00 0.00 C ATOM 1048 O LYS A 492 7.777 13.739 -5.575 1.00 0.00 O ATOM 1049 CB LYS A 492 7.085 11.652 -7.903 1.00 0.00 C ATOM 1050 CG LYS A 492 8.402 12.294 -8.359 1.00 0.00 C ATOM 1051 CD LYS A 492 8.550 12.162 -9.880 1.00 0.00 C ATOM 1052 CE LYS A 492 9.781 12.933 -10.367 1.00 0.00 C ATOM 1053 NZ LYS A 492 9.840 12.973 -11.850 1.00 0.00 N ATOM 0 H LYS A 492 5.234 10.458 -6.966 1.00 0.00 H new ATOM 0 HA LYS A 492 7.671 11.237 -5.844 1.00 0.00 H new ATOM 0 HB2 LYS A 492 7.069 10.616 -8.240 1.00 0.00 H new ATOM 0 HB3 LYS A 492 6.260 12.162 -8.400 1.00 0.00 H new ATOM 0 HG2 LYS A 492 8.422 13.346 -8.073 1.00 0.00 H new ATOM 0 HG3 LYS A 492 9.243 11.812 -7.860 1.00 0.00 H new ATOM 0 HD2 LYS A 492 8.640 11.111 -10.153 1.00 0.00 H new ATOM 0 HD3 LYS A 492 7.656 12.543 -10.373 1.00 0.00 H new ATOM 0 HE2 LYS A 492 9.755 13.949 -9.974 1.00 0.00 H new ATOM 0 HE3 LYS A 492 10.684 12.464 -9.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 10.684 13.502 -12.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 9.889 12.003 -12.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 8.988 13.443 -12.219 1.00 0.00 H new ATOM 1067 N TYR A 493 5.527 13.635 -5.655 1.00 0.00 N ATOM 1068 CA TYR A 493 5.228 15.014 -5.248 1.00 0.00 C ATOM 1069 C TYR A 493 4.397 15.097 -3.946 1.00 0.00 C ATOM 1070 O TYR A 493 3.910 16.174 -3.585 1.00 0.00 O ATOM 1071 CB TYR A 493 4.535 15.726 -6.424 1.00 0.00 C ATOM 1072 CG TYR A 493 5.296 15.645 -7.739 1.00 0.00 C ATOM 1073 CD1 TYR A 493 6.416 16.471 -7.956 1.00 0.00 C ATOM 1074 CD2 TYR A 493 4.903 14.721 -8.730 1.00 0.00 C ATOM 1075 CE1 TYR A 493 7.144 16.377 -9.160 1.00 0.00 C ATOM 1076 CE2 TYR A 493 5.630 14.623 -9.933 1.00 0.00 C ATOM 1077 CZ TYR A 493 6.753 15.450 -10.151 1.00 0.00 C ATOM 1078 OH TYR A 493 7.459 15.345 -11.312 1.00 0.00 O ATOM 0 H TYR A 493 4.683 13.076 -5.782 1.00 0.00 H new ATOM 0 HA TYR A 493 6.164 15.519 -5.010 1.00 0.00 H new ATOM 0 HB2 TYR A 493 3.544 15.293 -6.563 1.00 0.00 H new ATOM 0 HB3 TYR A 493 4.391 16.775 -6.165 1.00 0.00 H new ATOM 0 HD1 TYR A 493 6.718 17.178 -7.198 1.00 0.00 H new ATOM 0 HD2 TYR A 493 4.044 14.088 -8.566 1.00 0.00 H new ATOM 0 HE1 TYR A 493 8.001 17.014 -9.324 1.00 0.00 H new ATOM 0 HE2 TYR A 493 5.328 13.914 -10.689 1.00 0.00 H new ATOM 0 HH TYR A 493 7.053 14.658 -11.881 1.00 0.00 H new ATOM 1088 N ALA A 494 4.226 13.977 -3.230 1.00 0.00 N ATOM 1089 CA ALA A 494 3.556 13.918 -1.929 1.00 0.00 C ATOM 1090 C ALA A 494 4.333 14.663 -0.820 1.00 0.00 C ATOM 1091 O ALA A 494 5.555 14.833 -0.894 1.00 0.00 O ATOM 1092 CB ALA A 494 3.360 12.443 -1.559 1.00 0.00 C ATOM 0 H ALA A 494 4.558 13.067 -3.549 1.00 0.00 H new ATOM 0 HA ALA A 494 2.595 14.426 -2.010 1.00 0.00 H new ATOM 0 HB1 ALA A 494 2.862 12.374 -0.592 1.00 0.00 H new ATOM 0 HB2 ALA A 494 2.748 11.956 -2.318 1.00 0.00 H new ATOM 0 HB3 ALA A 494 4.330 11.950 -1.504 1.00 0.00 H new ATOM 1098 N GLU A 495 3.624 15.067 0.240 1.00 0.00 N ATOM 1099 CA GLU A 495 4.189 15.800 1.393 1.00 0.00 C ATOM 1100 C GLU A 495 3.634 15.380 2.776 1.00 0.00 C ATOM 1101 O GLU A 495 4.148 15.832 3.804 1.00 0.00 O ATOM 1102 CB GLU A 495 4.048 17.317 1.163 1.00 0.00 C ATOM 1103 CG GLU A 495 2.596 17.816 1.131 1.00 0.00 C ATOM 1104 CD GLU A 495 2.546 19.339 0.895 1.00 0.00 C ATOM 1105 OE1 GLU A 495 2.643 20.118 1.876 1.00 0.00 O ATOM 1106 OE2 GLU A 495 2.403 19.776 -0.275 1.00 0.00 O ATOM 0 H GLU A 495 2.623 14.894 0.328 1.00 0.00 H new ATOM 0 HA GLU A 495 5.243 15.525 1.438 1.00 0.00 H new ATOM 0 HB2 GLU A 495 4.584 17.844 1.952 1.00 0.00 H new ATOM 0 HB3 GLU A 495 4.531 17.577 0.221 1.00 0.00 H new ATOM 0 HG2 GLU A 495 2.048 17.303 0.341 1.00 0.00 H new ATOM 0 HG3 GLU A 495 2.102 17.573 2.072 1.00 0.00 H new ATOM 1113 N SER A 496 2.636 14.486 2.817 1.00 0.00 N ATOM 1114 CA SER A 496 1.973 13.997 4.049 1.00 0.00 C ATOM 1115 C SER A 496 1.758 12.470 4.066 1.00 0.00 C ATOM 1116 O SER A 496 1.132 11.940 4.985 1.00 0.00 O ATOM 1117 CB SER A 496 0.622 14.706 4.240 1.00 0.00 C ATOM 1118 OG SER A 496 0.775 16.117 4.319 1.00 0.00 O ATOM 0 H SER A 496 2.251 14.066 1.971 1.00 0.00 H new ATOM 0 HA SER A 496 2.648 14.232 4.872 1.00 0.00 H new ATOM 0 HB2 SER A 496 -0.040 14.458 3.410 1.00 0.00 H new ATOM 0 HB3 SER A 496 0.144 14.340 5.149 1.00 0.00 H new ATOM 0 HG SER A 496 -0.103 16.535 4.439 1.00 0.00 H new ATOM 1124 N TYR A 497 2.258 11.762 3.049 1.00 0.00 N ATOM 1125 CA TYR A 497 2.133 10.315 2.831 1.00 0.00 C ATOM 1126 C TYR A 497 3.207 9.831 1.831 1.00 0.00 C ATOM 1127 O TYR A 497 3.932 10.644 1.246 1.00 0.00 O ATOM 1128 CB TYR A 497 0.719 9.992 2.306 1.00 0.00 C ATOM 1129 CG TYR A 497 0.404 10.594 0.944 1.00 0.00 C ATOM 1130 CD1 TYR A 497 -0.099 11.907 0.845 1.00 0.00 C ATOM 1131 CD2 TYR A 497 0.657 9.852 -0.226 1.00 0.00 C ATOM 1132 CE1 TYR A 497 -0.324 12.488 -0.419 1.00 0.00 C ATOM 1133 CE2 TYR A 497 0.448 10.434 -1.490 1.00 0.00 C ATOM 1134 CZ TYR A 497 -0.042 11.754 -1.591 1.00 0.00 C ATOM 1135 OH TYR A 497 -0.233 12.312 -2.818 1.00 0.00 O ATOM 0 H TYR A 497 2.795 12.212 2.308 1.00 0.00 H new ATOM 0 HA TYR A 497 2.287 9.794 3.776 1.00 0.00 H new ATOM 0 HB2 TYR A 497 0.604 8.910 2.247 1.00 0.00 H new ATOM 0 HB3 TYR A 497 -0.015 10.351 3.028 1.00 0.00 H new ATOM 0 HD1 TYR A 497 -0.313 12.470 1.741 1.00 0.00 H new ATOM 0 HD2 TYR A 497 1.012 8.835 -0.153 1.00 0.00 H new ATOM 0 HE1 TYR A 497 -0.712 13.493 -0.491 1.00 0.00 H new ATOM 0 HE2 TYR A 497 0.663 9.869 -2.385 1.00 0.00 H new ATOM 0 HH TYR A 497 0.013 11.666 -3.513 1.00 0.00 H new ATOM 1145 N ARG A 498 3.292 8.515 1.599 1.00 0.00 N ATOM 1146 CA ARG A 498 4.099 7.883 0.535 1.00 0.00 C ATOM 1147 C ARG A 498 3.428 6.605 0.016 1.00 0.00 C ATOM 1148 O ARG A 498 2.706 5.944 0.764 1.00 0.00 O ATOM 1149 CB ARG A 498 5.513 7.609 1.085 1.00 0.00 C ATOM 1150 CG ARG A 498 6.533 7.278 -0.015 1.00 0.00 C ATOM 1151 CD ARG A 498 7.949 7.177 0.566 1.00 0.00 C ATOM 1152 NE ARG A 498 8.953 6.925 -0.488 1.00 0.00 N ATOM 1153 CZ ARG A 498 9.557 7.821 -1.250 1.00 0.00 C ATOM 1154 NH1 ARG A 498 9.311 9.098 -1.159 1.00 0.00 N ATOM 1155 NH2 ARG A 498 10.437 7.445 -2.135 1.00 0.00 N ATOM 0 H ARG A 498 2.785 7.833 2.164 1.00 0.00 H new ATOM 0 HA ARG A 498 4.176 8.557 -0.318 1.00 0.00 H new ATOM 0 HB2 ARG A 498 5.856 8.482 1.640 1.00 0.00 H new ATOM 0 HB3 ARG A 498 5.467 6.780 1.791 1.00 0.00 H new ATOM 0 HG2 ARG A 498 6.264 6.337 -0.495 1.00 0.00 H new ATOM 0 HG3 ARG A 498 6.506 8.048 -0.786 1.00 0.00 H new ATOM 0 HD2 ARG A 498 8.195 8.101 1.090 1.00 0.00 H new ATOM 0 HD3 ARG A 498 7.984 6.374 1.302 1.00 0.00 H new ATOM 0 HE ARG A 498 9.209 5.950 -0.646 1.00 0.00 H new ATOM 0 HH11 ARG A 498 8.630 9.439 -0.480 1.00 0.00 H new ATOM 0 HH12 ARG A 498 9.799 9.756 -1.766 1.00 0.00 H new ATOM 0 HH21 ARG A 498 10.662 6.456 -2.242 1.00 0.00 H new ATOM 0 HH22 ARG A 498 10.900 8.140 -2.721 1.00 0.00 H new ATOM 1169 N ILE A 499 3.676 6.255 -1.248 1.00 0.00 N ATOM 1170 CA ILE A 499 3.072 5.120 -1.967 1.00 0.00 C ATOM 1171 C ILE A 499 4.164 4.311 -2.691 1.00 0.00 C ATOM 1172 O ILE A 499 5.099 4.877 -3.263 1.00 0.00 O ATOM 1173 CB ILE A 499 2.012 5.618 -2.986 1.00 0.00 C ATOM 1174 CG1 ILE A 499 0.970 6.566 -2.345 1.00 0.00 C ATOM 1175 CG2 ILE A 499 1.307 4.431 -3.663 1.00 0.00 C ATOM 1176 CD1 ILE A 499 -0.022 7.202 -3.325 1.00 0.00 C ATOM 0 H ILE A 499 4.333 6.776 -1.829 1.00 0.00 H new ATOM 0 HA ILE A 499 2.576 4.476 -1.241 1.00 0.00 H new ATOM 0 HB ILE A 499 2.549 6.193 -3.740 1.00 0.00 H new ATOM 0 HG12 ILE A 499 0.409 6.009 -1.595 1.00 0.00 H new ATOM 0 HG13 ILE A 499 1.500 7.362 -1.821 1.00 0.00 H new ATOM 0 HG21 ILE A 499 0.568 4.803 -4.373 1.00 0.00 H new ATOM 0 HG22 ILE A 499 2.043 3.823 -4.190 1.00 0.00 H new ATOM 0 HG23 ILE A 499 0.809 3.824 -2.907 1.00 0.00 H new ATOM 0 HD11 ILE A 499 -0.709 7.848 -2.779 1.00 0.00 H new ATOM 0 HD12 ILE A 499 0.522 7.792 -4.062 1.00 0.00 H new ATOM 0 HD13 ILE A 499 -0.586 6.419 -3.832 1.00 0.00 H new ATOM 1188 N GLN A 500 4.013 2.986 -2.708 1.00 0.00 N ATOM 1189 CA GLN A 500 4.794 2.031 -3.508 1.00 0.00 C ATOM 1190 C GLN A 500 3.900 0.856 -3.954 1.00 0.00 C ATOM 1191 O GLN A 500 2.759 0.743 -3.508 1.00 0.00 O ATOM 1192 CB GLN A 500 6.029 1.568 -2.710 1.00 0.00 C ATOM 1193 CG GLN A 500 5.696 0.752 -1.447 1.00 0.00 C ATOM 1194 CD GLN A 500 6.918 0.471 -0.573 1.00 0.00 C ATOM 1195 OE1 GLN A 500 8.060 0.459 -1.012 1.00 0.00 O ATOM 1196 NE2 GLN A 500 6.730 0.240 0.707 1.00 0.00 N ATOM 0 H GLN A 500 3.307 2.522 -2.136 1.00 0.00 H new ATOM 0 HA GLN A 500 5.157 2.515 -4.414 1.00 0.00 H new ATOM 0 HB2 GLN A 500 6.663 0.966 -3.361 1.00 0.00 H new ATOM 0 HB3 GLN A 500 6.610 2.444 -2.420 1.00 0.00 H new ATOM 0 HG2 GLN A 500 4.953 1.291 -0.859 1.00 0.00 H new ATOM 0 HG3 GLN A 500 5.243 -0.194 -1.742 1.00 0.00 H new ATOM 0 HE21 GLN A 500 5.786 0.246 1.093 1.00 0.00 H new ATOM 0 HE22 GLN A 500 7.528 0.055 1.315 1.00 0.00 H new ATOM 1205 N THR A 501 4.375 -0.031 -4.833 1.00 0.00 N ATOM 1206 CA THR A 501 3.618 -1.248 -5.201 1.00 0.00 C ATOM 1207 C THR A 501 3.598 -2.286 -4.071 1.00 0.00 C ATOM 1208 O THR A 501 4.454 -2.285 -3.180 1.00 0.00 O ATOM 1209 CB THR A 501 4.154 -1.901 -6.486 1.00 0.00 C ATOM 1210 OG1 THR A 501 5.450 -2.411 -6.284 1.00 0.00 O ATOM 1211 CG2 THR A 501 4.210 -0.924 -7.659 1.00 0.00 C ATOM 0 H THR A 501 5.274 0.063 -5.305 1.00 0.00 H new ATOM 0 HA THR A 501 2.597 -0.912 -5.381 1.00 0.00 H new ATOM 0 HB THR A 501 3.457 -2.704 -6.728 1.00 0.00 H new ATOM 0 HG1 THR A 501 5.772 -2.824 -7.113 1.00 0.00 H new ATOM 0 HG21 THR A 501 4.595 -1.436 -8.541 1.00 0.00 H new ATOM 0 HG22 THR A 501 3.209 -0.547 -7.867 1.00 0.00 H new ATOM 0 HG23 THR A 501 4.866 -0.091 -7.407 1.00 0.00 H new ATOM 1219 N TYR A 502 2.646 -3.225 -4.125 1.00 0.00 N ATOM 1220 CA TYR A 502 2.640 -4.411 -3.259 1.00 0.00 C ATOM 1221 C TYR A 502 3.957 -5.205 -3.376 1.00 0.00 C ATOM 1222 O TYR A 502 4.543 -5.599 -2.367 1.00 0.00 O ATOM 1223 CB TYR A 502 1.428 -5.278 -3.634 1.00 0.00 C ATOM 1224 CG TYR A 502 1.359 -6.617 -2.926 1.00 0.00 C ATOM 1225 CD1 TYR A 502 0.784 -6.708 -1.645 1.00 0.00 C ATOM 1226 CD2 TYR A 502 1.883 -7.771 -3.543 1.00 0.00 C ATOM 1227 CE1 TYR A 502 0.758 -7.940 -0.966 1.00 0.00 C ATOM 1228 CE2 TYR A 502 1.850 -9.010 -2.872 1.00 0.00 C ATOM 1229 CZ TYR A 502 1.300 -9.094 -1.574 1.00 0.00 C ATOM 1230 OH TYR A 502 1.265 -10.286 -0.916 1.00 0.00 O ATOM 0 H TYR A 502 1.857 -3.184 -4.771 1.00 0.00 H new ATOM 0 HA TYR A 502 2.561 -4.100 -2.217 1.00 0.00 H new ATOM 0 HB2 TYR A 502 0.518 -4.720 -3.414 1.00 0.00 H new ATOM 0 HB3 TYR A 502 1.443 -5.452 -4.710 1.00 0.00 H new ATOM 0 HD1 TYR A 502 0.361 -5.829 -1.181 1.00 0.00 H new ATOM 0 HD2 TYR A 502 2.311 -7.706 -4.532 1.00 0.00 H new ATOM 0 HE1 TYR A 502 0.323 -8.003 0.021 1.00 0.00 H new ATOM 0 HE2 TYR A 502 2.245 -9.894 -3.350 1.00 0.00 H new ATOM 0 HH TYR A 502 1.678 -10.979 -1.473 1.00 0.00 H new ATOM 1240 N ALA A 503 4.461 -5.382 -4.605 1.00 0.00 N ATOM 1241 CA ALA A 503 5.710 -6.093 -4.880 1.00 0.00 C ATOM 1242 C ALA A 503 6.954 -5.391 -4.295 1.00 0.00 C ATOM 1243 O ALA A 503 7.846 -6.064 -3.774 1.00 0.00 O ATOM 1244 CB ALA A 503 5.835 -6.273 -6.398 1.00 0.00 C ATOM 0 H ALA A 503 4.004 -5.029 -5.446 1.00 0.00 H new ATOM 0 HA ALA A 503 5.670 -7.062 -4.382 1.00 0.00 H new ATOM 0 HB1 ALA A 503 6.760 -6.802 -6.627 1.00 0.00 H new ATOM 0 HB2 ALA A 503 4.987 -6.850 -6.767 1.00 0.00 H new ATOM 0 HB3 ALA A 503 5.847 -5.296 -6.881 1.00 0.00 H new ATOM 1250 N GLU A 504 7.015 -4.054 -4.324 1.00 0.00 N ATOM 1251 CA GLU A 504 8.090 -3.286 -3.678 1.00 0.00 C ATOM 1252 C GLU A 504 8.118 -3.499 -2.159 1.00 0.00 C ATOM 1253 O GLU A 504 9.191 -3.759 -1.609 1.00 0.00 O ATOM 1254 CB GLU A 504 7.956 -1.784 -3.991 1.00 0.00 C ATOM 1255 CG GLU A 504 8.626 -1.382 -5.314 1.00 0.00 C ATOM 1256 CD GLU A 504 10.161 -1.555 -5.297 1.00 0.00 C ATOM 1257 OE1 GLU A 504 10.793 -1.421 -4.218 1.00 0.00 O ATOM 1258 OE2 GLU A 504 10.753 -1.827 -6.371 1.00 0.00 O ATOM 0 H GLU A 504 6.322 -3.473 -4.795 1.00 0.00 H new ATOM 0 HA GLU A 504 9.030 -3.655 -4.087 1.00 0.00 H new ATOM 0 HB2 GLU A 504 6.899 -1.520 -4.031 1.00 0.00 H new ATOM 0 HB3 GLU A 504 8.398 -1.209 -3.177 1.00 0.00 H new ATOM 0 HG2 GLU A 504 8.208 -1.982 -6.122 1.00 0.00 H new ATOM 0 HG3 GLU A 504 8.387 -0.341 -5.533 1.00 0.00 H new ATOM 1265 N TYR A 505 6.963 -3.450 -1.486 1.00 0.00 N ATOM 1266 CA TYR A 505 6.872 -3.747 -0.051 1.00 0.00 C ATOM 1267 C TYR A 505 7.306 -5.189 0.263 1.00 0.00 C ATOM 1268 O TYR A 505 8.158 -5.399 1.127 1.00 0.00 O ATOM 1269 CB TYR A 505 5.452 -3.477 0.463 1.00 0.00 C ATOM 1270 CG TYR A 505 5.273 -3.862 1.921 1.00 0.00 C ATOM 1271 CD1 TYR A 505 5.732 -3.006 2.941 1.00 0.00 C ATOM 1272 CD2 TYR A 505 4.704 -5.107 2.256 1.00 0.00 C ATOM 1273 CE1 TYR A 505 5.602 -3.380 4.293 1.00 0.00 C ATOM 1274 CE2 TYR A 505 4.577 -5.488 3.606 1.00 0.00 C ATOM 1275 CZ TYR A 505 5.020 -4.621 4.630 1.00 0.00 C ATOM 1276 OH TYR A 505 4.891 -4.978 5.936 1.00 0.00 O ATOM 0 H TYR A 505 6.071 -3.205 -1.916 1.00 0.00 H new ATOM 0 HA TYR A 505 7.562 -3.083 0.469 1.00 0.00 H new ATOM 0 HB2 TYR A 505 5.221 -2.419 0.340 1.00 0.00 H new ATOM 0 HB3 TYR A 505 4.738 -4.032 -0.145 1.00 0.00 H new ATOM 0 HD1 TYR A 505 6.185 -2.060 2.686 1.00 0.00 H new ATOM 0 HD2 TYR A 505 4.364 -5.771 1.475 1.00 0.00 H new ATOM 0 HE1 TYR A 505 5.948 -2.717 5.072 1.00 0.00 H new ATOM 0 HE2 TYR A 505 4.141 -6.443 3.859 1.00 0.00 H new ATOM 0 HH TYR A 505 4.470 -5.861 5.994 1.00 0.00 H new