USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 507 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 57 ASN : amide:sc= 0.389 K(o=1.4,f=-2.9!) USER MOD Set 1.2: A 81 ASN : amide:sc= 1.05 K(o=1.4,f=-2.9) USER MOD Single : A 20 LYS NZ :NH3+ -172:sc= 0.347 (180deg=0.261) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 23 SER OG : rot 3:sc= 0.339 USER MOD Single : A 24 TYR OH : rot 100:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0259) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.088 X(o=-0.088,f=0) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.0385 K(o=-0.039,f=-0.7) USER MOD Single : A 65 TYR OH : rot 180:sc= 0.148 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.58 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0.0188 K(o=0.019,f=-6.1!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 290 N LYS A 20 -8.601 -5.349 -4.657 1.00 0.00 N ATOM 291 CA LYS A 20 -8.645 -5.796 -6.052 1.00 0.00 C ATOM 292 C LYS A 20 -7.668 -6.943 -6.327 1.00 0.00 C ATOM 293 O LYS A 20 -6.664 -7.098 -5.629 1.00 0.00 O ATOM 294 CB LYS A 20 -8.390 -4.552 -6.937 1.00 0.00 C ATOM 295 CG LYS A 20 -8.327 -4.877 -8.431 1.00 0.00 C ATOM 296 CD LYS A 20 -8.377 -3.651 -9.346 1.00 0.00 C ATOM 297 CE LYS A 20 -8.346 -4.104 -10.813 1.00 0.00 C ATOM 298 NZ LYS A 20 -7.035 -4.671 -11.212 1.00 0.00 N ATOM 0 HA LYS A 20 -9.622 -6.218 -6.287 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.181 -3.823 -6.764 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.453 -4.084 -6.634 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.409 -5.429 -8.632 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.157 -5.537 -8.682 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.282 -3.076 -9.151 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.531 -2.995 -9.139 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.124 -4.850 -10.974 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.580 -3.255 -11.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.025 -4.834 -12.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.277 -4.005 -10.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.882 -5.573 -10.717 1.00 0.00 H new ATOM 312 N THR A 21 -7.982 -7.745 -7.342 1.00 0.00 N ATOM 313 CA THR A 21 -7.163 -8.810 -7.900 1.00 0.00 C ATOM 314 C THR A 21 -6.161 -8.245 -8.918 1.00 0.00 C ATOM 315 O THR A 21 -6.476 -7.327 -9.684 1.00 0.00 O ATOM 316 CB THR A 21 -8.094 -9.851 -8.553 1.00 0.00 C ATOM 317 OG1 THR A 21 -9.213 -9.227 -9.171 1.00 0.00 O ATOM 318 CG2 THR A 21 -8.627 -10.829 -7.502 1.00 0.00 C ATOM 0 H THR A 21 -8.876 -7.659 -7.826 1.00 0.00 H new ATOM 0 HA THR A 21 -6.584 -9.288 -7.110 1.00 0.00 H new ATOM 0 HB THR A 21 -7.505 -10.379 -9.303 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.785 -9.911 -9.578 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.282 -11.556 -7.981 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.792 -11.348 -7.031 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.187 -10.280 -6.745 1.00 0.00 H new ATOM 326 N PHE A 22 -4.951 -8.807 -8.945 1.00 0.00 N ATOM 327 CA PHE A 22 -3.881 -8.419 -9.857 1.00 0.00 C ATOM 328 C PHE A 22 -3.154 -9.673 -10.341 1.00 0.00 C ATOM 329 O PHE A 22 -3.266 -10.751 -9.750 1.00 0.00 O ATOM 330 CB PHE A 22 -2.907 -7.454 -9.157 1.00 0.00 C ATOM 331 CG PHE A 22 -3.532 -6.154 -8.684 1.00 0.00 C ATOM 332 CD1 PHE A 22 -3.574 -5.038 -9.539 1.00 0.00 C ATOM 333 CD2 PHE A 22 -4.083 -6.060 -7.390 1.00 0.00 C ATOM 334 CE1 PHE A 22 -4.159 -3.837 -9.103 1.00 0.00 C ATOM 335 CE2 PHE A 22 -4.677 -4.862 -6.959 1.00 0.00 C ATOM 336 CZ PHE A 22 -4.716 -3.749 -7.816 1.00 0.00 C ATOM 0 H PHE A 22 -4.684 -9.564 -8.315 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.304 -7.901 -10.718 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.467 -7.963 -8.299 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.092 -7.221 -9.843 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.156 -5.104 -10.533 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.048 -6.912 -6.727 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.181 -2.979 -9.759 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.104 -4.796 -5.969 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.173 -2.828 -7.486 1.00 0.00 H new ATOM 346 N SER A 23 -2.402 -9.538 -11.428 1.00 0.00 N ATOM 347 CA SER A 23 -1.482 -10.533 -11.964 1.00 0.00 C ATOM 348 C SER A 23 -0.400 -9.773 -12.739 1.00 0.00 C ATOM 349 O SER A 23 -0.556 -8.576 -13.009 1.00 0.00 O ATOM 350 CB SER A 23 -2.231 -11.523 -12.867 1.00 0.00 C ATOM 351 OG SER A 23 -3.230 -12.216 -12.138 1.00 0.00 O ATOM 0 H SER A 23 -2.419 -8.686 -11.988 1.00 0.00 H new ATOM 0 HA SER A 23 -1.028 -11.120 -11.166 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.688 -10.988 -13.700 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.526 -12.236 -13.295 1.00 0.00 H new ATOM 0 HG SER A 23 -3.256 -11.880 -11.218 1.00 0.00 H new ATOM 357 N TYR A 24 0.685 -10.458 -13.104 1.00 0.00 N ATOM 358 CA TYR A 24 1.898 -9.854 -13.652 1.00 0.00 C ATOM 359 C TYR A 24 2.318 -10.602 -14.941 1.00 0.00 C ATOM 360 O TYR A 24 1.651 -11.591 -15.268 1.00 0.00 O ATOM 361 CB TYR A 24 2.948 -9.874 -12.527 1.00 0.00 C ATOM 362 CG TYR A 24 2.538 -9.194 -11.226 1.00 0.00 C ATOM 363 CD1 TYR A 24 1.946 -7.913 -11.240 1.00 0.00 C ATOM 364 CD2 TYR A 24 2.726 -9.856 -9.997 1.00 0.00 C ATOM 365 CE1 TYR A 24 1.518 -7.311 -10.044 1.00 0.00 C ATOM 366 CE2 TYR A 24 2.285 -9.269 -8.797 1.00 0.00 C ATOM 367 CZ TYR A 24 1.678 -7.991 -8.817 1.00 0.00 C ATOM 368 OH TYR A 24 1.251 -7.426 -7.653 1.00 0.00 O ATOM 0 H TYR A 24 0.745 -11.473 -13.024 1.00 0.00 H new ATOM 0 HA TYR A 24 1.757 -8.819 -13.963 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.200 -10.912 -12.309 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.856 -9.396 -12.894 1.00 0.00 H new ATOM 0 HD1 TYR A 24 1.821 -7.391 -12.177 1.00 0.00 H new ATOM 0 HD2 TYR A 24 3.212 -10.820 -9.976 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.067 -6.330 -10.064 1.00 0.00 H new ATOM 0 HE2 TYR A 24 2.410 -9.793 -7.861 1.00 0.00 H new ATOM 0 HH TYR A 24 0.384 -7.808 -7.403 1.00 0.00 H new ATOM 378 N PRO A 25 3.364 -10.206 -15.708 1.00 0.00 N ATOM 379 CA PRO A 25 4.361 -9.152 -15.475 1.00 0.00 C ATOM 380 C PRO A 25 3.804 -7.780 -15.083 1.00 0.00 C ATOM 381 O PRO A 25 2.703 -7.404 -15.490 1.00 0.00 O ATOM 382 CB PRO A 25 5.174 -9.048 -16.770 1.00 0.00 C ATOM 383 CG PRO A 25 5.115 -10.467 -17.322 1.00 0.00 C ATOM 384 CD PRO A 25 3.703 -10.903 -16.945 1.00 0.00 C ATOM 0 HA PRO A 25 4.955 -9.438 -14.607 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.741 -8.326 -17.463 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.199 -8.731 -16.579 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.274 -10.491 -18.400 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.873 -11.110 -16.874 1.00 0.00 H new ATOM 0 HD2 PRO A 25 2.997 -10.652 -17.736 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.656 -11.983 -16.806 1.00 0.00 H new ATOM 392 N LEU A 26 4.579 -7.049 -14.275 1.00 0.00 N ATOM 393 CA LEU A 26 4.160 -5.804 -13.635 1.00 0.00 C ATOM 394 C LEU A 26 3.749 -4.762 -14.678 1.00 0.00 C ATOM 395 O LEU A 26 4.438 -4.565 -15.682 1.00 0.00 O ATOM 396 CB LEU A 26 5.282 -5.230 -12.741 1.00 0.00 C ATOM 397 CG LEU A 26 5.326 -5.780 -11.298 1.00 0.00 C ATOM 398 CD1 LEU A 26 5.755 -7.249 -11.231 1.00 0.00 C ATOM 399 CD2 LEU A 26 6.306 -4.961 -10.450 1.00 0.00 C ATOM 0 H LEU A 26 5.536 -7.315 -14.045 1.00 0.00 H new ATOM 0 HA LEU A 26 3.298 -6.036 -13.009 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.242 -5.431 -13.218 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.169 -4.147 -12.696 1.00 0.00 H new ATOM 0 HG LEU A 26 4.309 -5.702 -10.913 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.767 -7.578 -10.192 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.051 -7.860 -11.797 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.753 -7.356 -11.657 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.329 -5.358 -9.435 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.303 -5.022 -10.886 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.984 -3.920 -10.425 1.00 0.00 H new ATOM 411 N ASP A 27 2.664 -4.045 -14.378 1.00 0.00 N ATOM 412 CA ASP A 27 2.197 -2.855 -15.103 1.00 0.00 C ATOM 413 C ASP A 27 1.776 -1.762 -14.098 1.00 0.00 C ATOM 414 O ASP A 27 1.008 -0.848 -14.395 1.00 0.00 O ATOM 415 CB ASP A 27 1.076 -3.228 -16.084 1.00 0.00 C ATOM 416 CG ASP A 27 0.720 -2.052 -17.009 1.00 0.00 C ATOM 417 OD1 ASP A 27 1.638 -1.376 -17.523 1.00 0.00 O ATOM 418 OD2 ASP A 27 -0.480 -1.796 -17.254 1.00 0.00 O ATOM 0 H ASP A 27 2.060 -4.285 -13.592 1.00 0.00 H new ATOM 0 HA ASP A 27 3.010 -2.446 -15.703 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.387 -4.083 -16.684 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.191 -3.534 -15.527 1.00 0.00 H new ATOM 423 N LEU A 28 2.287 -1.893 -12.871 1.00 0.00 N ATOM 424 CA LEU A 28 2.206 -0.982 -11.737 1.00 0.00 C ATOM 425 C LEU A 28 3.513 -1.172 -10.961 1.00 0.00 C ATOM 426 O LEU A 28 4.265 -2.107 -11.256 1.00 0.00 O ATOM 427 CB LEU A 28 0.936 -1.245 -10.896 1.00 0.00 C ATOM 428 CG LEU A 28 0.706 -2.667 -10.331 1.00 0.00 C ATOM 429 CD1 LEU A 28 1.672 -3.063 -9.206 1.00 0.00 C ATOM 430 CD2 LEU A 28 -0.722 -2.745 -9.775 1.00 0.00 C ATOM 0 H LEU A 28 2.822 -2.727 -12.627 1.00 0.00 H new ATOM 0 HA LEU A 28 2.107 0.059 -12.045 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.946 -0.552 -10.055 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.073 -0.989 -11.510 1.00 0.00 H new ATOM 0 HG LEU A 28 0.879 -3.357 -11.157 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.442 -4.073 -8.867 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.696 -3.029 -9.577 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.565 -2.368 -8.373 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.902 -3.742 -9.372 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.845 -2.006 -8.983 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.435 -2.543 -10.574 1.00 0.00 H new ATOM 442 N LEU A 29 3.812 -0.311 -9.989 1.00 0.00 N ATOM 443 CA LEU A 29 5.079 -0.325 -9.261 1.00 0.00 C ATOM 444 C LEU A 29 4.808 0.033 -7.808 1.00 0.00 C ATOM 445 O LEU A 29 3.964 0.886 -7.528 1.00 0.00 O ATOM 446 CB LEU A 29 6.055 0.705 -9.866 1.00 0.00 C ATOM 447 CG LEU A 29 6.629 0.357 -11.254 1.00 0.00 C ATOM 448 CD1 LEU A 29 7.445 1.544 -11.778 1.00 0.00 C ATOM 449 CD2 LEU A 29 7.527 -0.887 -11.223 1.00 0.00 C ATOM 0 H LEU A 29 3.174 0.423 -9.682 1.00 0.00 H new ATOM 0 HA LEU A 29 5.527 -1.316 -9.332 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.542 1.664 -9.937 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.886 0.838 -9.174 1.00 0.00 H new ATOM 0 HG LEU A 29 5.785 0.142 -11.909 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.852 1.301 -12.759 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.802 2.420 -11.859 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.262 1.756 -11.089 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.905 -1.088 -12.225 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.365 -0.714 -10.547 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.950 -1.744 -10.874 1.00 0.00 H new ATOM 461 N LEU A 30 5.572 -0.561 -6.891 1.00 0.00 N ATOM 462 CA LEU A 30 5.568 -0.279 -5.456 1.00 0.00 C ATOM 463 C LEU A 30 7.019 0.012 -5.047 1.00 0.00 C ATOM 464 O LEU A 30 7.946 -0.483 -5.695 1.00 0.00 O ATOM 465 CB LEU A 30 5.025 -1.480 -4.645 1.00 0.00 C ATOM 466 CG LEU A 30 3.494 -1.582 -4.460 1.00 0.00 C ATOM 467 CD1 LEU A 30 2.704 -1.809 -5.753 1.00 0.00 C ATOM 468 CD2 LEU A 30 3.172 -2.749 -3.520 1.00 0.00 C ATOM 0 H LEU A 30 6.243 -1.287 -7.141 1.00 0.00 H new ATOM 0 HA LEU A 30 4.917 0.570 -5.248 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.367 -2.395 -5.129 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.482 -1.452 -3.656 1.00 0.00 H new ATOM 0 HG LEU A 30 3.190 -0.615 -4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.640 -1.867 -5.524 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.883 -0.981 -6.439 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.027 -2.741 -6.218 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.093 -2.823 -3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.549 -3.677 -3.950 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.645 -2.578 -2.553 1.00 0.00 H new ATOM 480 N LYS A 31 7.232 0.773 -3.966 1.00 0.00 N ATOM 481 CA LYS A 31 8.562 1.028 -3.397 1.00 0.00 C ATOM 482 C LYS A 31 8.483 1.071 -1.876 1.00 0.00 C ATOM 483 O LYS A 31 7.432 1.405 -1.332 1.00 0.00 O ATOM 484 CB LYS A 31 9.191 2.313 -3.985 1.00 0.00 C ATOM 485 CG LYS A 31 8.849 3.667 -3.322 1.00 0.00 C ATOM 486 CD LYS A 31 7.368 4.078 -3.378 1.00 0.00 C ATOM 487 CE LYS A 31 7.100 5.464 -2.762 1.00 0.00 C ATOM 488 NZ LYS A 31 7.760 6.577 -3.499 1.00 0.00 N ATOM 0 H LYS A 31 6.478 1.234 -3.456 1.00 0.00 H new ATOM 0 HA LYS A 31 9.222 0.206 -3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.274 2.195 -3.959 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.902 2.374 -5.034 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.158 3.628 -2.277 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.442 4.446 -3.801 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.037 4.079 -4.416 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.770 3.332 -2.853 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.025 5.641 -2.739 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.446 5.467 -1.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.472 7.486 -3.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.793 6.476 -3.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.477 6.547 -4.499 1.00 0.00 H new ATOM 502 N LEU A 32 9.584 0.766 -1.189 1.00 0.00 N ATOM 503 CA LEU A 32 9.698 0.950 0.256 1.00 0.00 C ATOM 504 C LEU A 32 9.904 2.442 0.534 1.00 0.00 C ATOM 505 O LEU A 32 10.874 3.023 0.044 1.00 0.00 O ATOM 506 CB LEU A 32 10.864 0.089 0.784 1.00 0.00 C ATOM 507 CG LEU A 32 11.262 0.326 2.255 1.00 0.00 C ATOM 508 CD1 LEU A 32 10.081 0.221 3.222 1.00 0.00 C ATOM 509 CD2 LEU A 32 12.320 -0.707 2.668 1.00 0.00 C ATOM 0 H LEU A 32 10.425 0.383 -1.622 1.00 0.00 H new ATOM 0 HA LEU A 32 8.794 0.627 0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.598 -0.961 0.664 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.737 0.270 0.157 1.00 0.00 H new ATOM 0 HG LEU A 32 11.649 1.343 2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.428 0.398 4.240 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.329 0.965 2.960 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.644 -0.775 3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.603 -0.542 3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.910 -1.711 2.559 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.199 -0.602 2.031 1.00 0.00 H new ATOM 521 N HIS A 33 9.018 3.056 1.321 1.00 0.00 N ATOM 522 CA HIS A 33 9.121 4.433 1.792 1.00 0.00 C ATOM 523 C HIS A 33 8.362 4.551 3.118 1.00 0.00 C ATOM 524 O HIS A 33 7.323 3.916 3.298 1.00 0.00 O ATOM 525 CB HIS A 33 8.529 5.379 0.737 1.00 0.00 C ATOM 526 CG HIS A 33 8.642 6.838 1.103 1.00 0.00 C ATOM 527 ND1 HIS A 33 7.691 7.600 1.749 1.00 0.00 N ATOM 528 CD2 HIS A 33 9.723 7.649 0.876 1.00 0.00 C ATOM 529 CE1 HIS A 33 8.188 8.838 1.908 1.00 0.00 C ATOM 530 NE2 HIS A 33 9.430 8.921 1.390 1.00 0.00 N ATOM 0 H HIS A 33 8.178 2.587 1.659 1.00 0.00 H new ATOM 0 HA HIS A 33 10.164 4.708 1.950 1.00 0.00 H new ATOM 0 HB2 HIS A 33 9.035 5.211 -0.214 1.00 0.00 H new ATOM 0 HB3 HIS A 33 7.478 5.131 0.587 1.00 0.00 H new ATOM 0 HD2 HIS A 33 10.641 7.359 0.386 1.00 0.00 H new ATOM 0 HE1 HIS A 33 7.665 9.654 2.385 1.00 0.00 H new ATOM 0 HE2 HIS A 33 10.034 9.743 1.375 1.00 0.00 H new ATOM 538 N ASP A 34 8.871 5.371 4.044 1.00 0.00 N ATOM 539 CA ASP A 34 8.356 5.529 5.412 1.00 0.00 C ATOM 540 C ASP A 34 8.007 4.175 6.049 1.00 0.00 C ATOM 541 O ASP A 34 6.895 3.945 6.528 1.00 0.00 O ATOM 542 CB ASP A 34 7.215 6.558 5.471 1.00 0.00 C ATOM 543 CG ASP A 34 6.822 6.889 6.926 1.00 0.00 C ATOM 544 OD1 ASP A 34 7.720 7.146 7.761 1.00 0.00 O ATOM 545 OD2 ASP A 34 5.609 6.952 7.231 1.00 0.00 O ATOM 0 H ASP A 34 9.680 5.964 3.857 1.00 0.00 H new ATOM 0 HA ASP A 34 9.155 5.941 6.028 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.521 7.471 4.960 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.347 6.170 4.938 1.00 0.00 H new ATOM 550 N GLU A 35 8.972 3.249 5.980 1.00 0.00 N ATOM 551 CA GLU A 35 8.920 1.885 6.513 1.00 0.00 C ATOM 552 C GLU A 35 7.805 0.982 5.948 1.00 0.00 C ATOM 553 O GLU A 35 7.668 -0.158 6.407 1.00 0.00 O ATOM 554 CB GLU A 35 8.956 1.918 8.060 1.00 0.00 C ATOM 555 CG GLU A 35 10.392 2.009 8.604 1.00 0.00 C ATOM 556 CD GLU A 35 10.483 1.481 10.046 1.00 0.00 C ATOM 557 OE1 GLU A 35 10.472 0.239 10.222 1.00 0.00 O ATOM 558 OE2 GLU A 35 10.582 2.289 10.999 1.00 0.00 O ATOM 0 H GLU A 35 9.862 3.446 5.523 1.00 0.00 H new ATOM 0 HA GLU A 35 9.819 1.389 6.148 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.379 2.771 8.417 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.476 1.021 8.452 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.062 1.436 7.963 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.729 3.045 8.573 1.00 0.00 H new ATOM 565 N ARG A 36 7.061 1.404 4.922 1.00 0.00 N ATOM 566 CA ARG A 36 5.995 0.607 4.314 1.00 0.00 C ATOM 567 C ARG A 36 6.228 0.490 2.817 1.00 0.00 C ATOM 568 O ARG A 36 6.953 1.299 2.240 1.00 0.00 O ATOM 569 CB ARG A 36 4.631 1.286 4.524 1.00 0.00 C ATOM 570 CG ARG A 36 4.208 1.536 5.980 1.00 0.00 C ATOM 571 CD ARG A 36 2.880 2.308 5.938 1.00 0.00 C ATOM 572 NE ARG A 36 2.519 2.988 7.195 1.00 0.00 N ATOM 573 CZ ARG A 36 3.014 4.165 7.606 1.00 0.00 C ATOM 574 NH1 ARG A 36 4.183 4.608 7.157 1.00 0.00 N ATOM 575 NH2 ARG A 36 2.311 4.912 8.450 1.00 0.00 N ATOM 0 H ARG A 36 7.184 2.318 4.487 1.00 0.00 H new ATOM 0 HA ARG A 36 6.000 -0.377 4.783 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.642 2.243 4.003 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.867 0.672 4.047 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.089 0.593 6.514 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.970 2.108 6.510 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.933 3.051 5.142 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.081 1.615 5.674 1.00 0.00 H new ATOM 0 HE ARG A 36 1.839 2.527 7.800 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.717 4.051 6.490 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.546 5.505 7.479 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.402 4.589 8.781 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.681 5.808 8.767 1.00 0.00 H new ATOM 589 N VAL A 37 5.614 -0.492 2.164 1.00 0.00 N ATOM 590 CA VAL A 37 5.604 -0.512 0.707 1.00 0.00 C ATOM 591 C VAL A 37 4.422 0.363 0.285 1.00 0.00 C ATOM 592 O VAL A 37 3.288 0.144 0.728 1.00 0.00 O ATOM 593 CB VAL A 37 5.573 -1.940 0.136 1.00 0.00 C ATOM 594 CG1 VAL A 37 6.949 -2.602 0.305 1.00 0.00 C ATOM 595 CG2 VAL A 37 4.500 -2.840 0.758 1.00 0.00 C ATOM 0 H VAL A 37 5.126 -1.269 2.610 1.00 0.00 H new ATOM 0 HA VAL A 37 6.528 -0.109 0.292 1.00 0.00 H new ATOM 0 HB VAL A 37 5.317 -1.833 -0.918 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.919 -3.613 -0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.701 -2.019 -0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.205 -2.644 1.364 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.545 -3.829 0.301 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.675 -2.928 1.830 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.516 -2.405 0.586 1.00 0.00 H new ATOM 605 N LEU A 38 4.689 1.373 -0.541 1.00 0.00 N ATOM 606 CA LEU A 38 3.685 2.280 -1.078 1.00 0.00 C ATOM 607 C LEU A 38 3.629 2.071 -2.584 1.00 0.00 C ATOM 608 O LEU A 38 4.652 1.776 -3.202 1.00 0.00 O ATOM 609 CB LEU A 38 4.017 3.758 -0.791 1.00 0.00 C ATOM 610 CG LEU A 38 4.296 4.149 0.671 1.00 0.00 C ATOM 611 CD1 LEU A 38 4.502 5.666 0.763 1.00 0.00 C ATOM 612 CD2 LEU A 38 3.181 3.744 1.639 1.00 0.00 C ATOM 0 H LEU A 38 5.634 1.586 -0.861 1.00 0.00 H new ATOM 0 HA LEU A 38 2.730 2.062 -0.600 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.890 4.029 -1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.186 4.366 -1.150 1.00 0.00 H new ATOM 0 HG LEU A 38 5.192 3.605 0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.700 5.944 1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.349 5.957 0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.604 6.177 0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.447 4.052 2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.250 4.229 1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.051 2.662 1.612 1.00 0.00 H new ATOM 624 N VAL A 39 2.458 2.259 -3.184 1.00 0.00 N ATOM 625 CA VAL A 39 2.267 2.234 -4.627 1.00 0.00 C ATOM 626 C VAL A 39 3.024 3.428 -5.217 1.00 0.00 C ATOM 627 O VAL A 39 2.637 4.580 -5.008 1.00 0.00 O ATOM 628 CB VAL A 39 0.756 2.217 -4.944 1.00 0.00 C ATOM 629 CG1 VAL A 39 0.487 2.251 -6.455 1.00 0.00 C ATOM 630 CG2 VAL A 39 0.109 0.948 -4.356 1.00 0.00 C ATOM 0 H VAL A 39 1.597 2.437 -2.667 1.00 0.00 H new ATOM 0 HA VAL A 39 2.672 1.333 -5.087 1.00 0.00 H new ATOM 0 HB VAL A 39 0.322 3.110 -4.495 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.588 2.238 -6.634 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.914 3.159 -6.880 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.944 1.380 -6.926 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.957 0.944 -4.584 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.577 0.065 -4.792 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.249 0.936 -3.275 1.00 0.00 H new ATOM 640 N ALA A 40 4.117 3.146 -5.930 1.00 0.00 N ATOM 641 CA ALA A 40 4.918 4.128 -6.646 1.00 0.00 C ATOM 642 C ALA A 40 4.163 4.638 -7.872 1.00 0.00 C ATOM 643 O ALA A 40 4.228 5.826 -8.186 1.00 0.00 O ATOM 644 CB ALA A 40 6.241 3.489 -7.093 1.00 0.00 C ATOM 0 H ALA A 40 4.476 2.196 -6.025 1.00 0.00 H new ATOM 0 HA ALA A 40 5.121 4.966 -5.979 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.839 4.227 -7.629 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.791 3.142 -6.218 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.033 2.644 -7.750 1.00 0.00 H new ATOM 650 N PHE A 41 3.437 3.746 -8.552 1.00 0.00 N ATOM 651 CA PHE A 41 2.530 4.087 -9.634 1.00 0.00 C ATOM 652 C PHE A 41 1.518 2.962 -9.811 1.00 0.00 C ATOM 653 O PHE A 41 1.876 1.789 -9.736 1.00 0.00 O ATOM 654 CB PHE A 41 3.294 4.293 -10.953 1.00 0.00 C ATOM 655 CG PHE A 41 2.386 4.745 -12.082 1.00 0.00 C ATOM 656 CD1 PHE A 41 1.984 6.092 -12.156 1.00 0.00 C ATOM 657 CD2 PHE A 41 1.882 3.814 -13.013 1.00 0.00 C ATOM 658 CE1 PHE A 41 1.095 6.509 -13.161 1.00 0.00 C ATOM 659 CE2 PHE A 41 0.986 4.230 -14.014 1.00 0.00 C ATOM 660 CZ PHE A 41 0.595 5.579 -14.090 1.00 0.00 C ATOM 0 H PHE A 41 3.470 2.746 -8.355 1.00 0.00 H new ATOM 0 HA PHE A 41 2.023 5.018 -9.380 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.079 5.034 -10.803 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.784 3.361 -11.235 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.360 6.807 -11.439 1.00 0.00 H new ATOM 0 HD2 PHE A 41 2.185 2.779 -12.957 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.795 7.545 -13.220 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.598 3.514 -14.724 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.089 5.901 -14.862 1.00 0.00 H new ATOM 780 N VAL A 49 -1.336 7.321 -6.279 1.00 0.00 N ATOM 781 CA VAL A 49 0.044 7.123 -5.848 1.00 0.00 C ATOM 782 C VAL A 49 0.127 7.315 -4.324 1.00 0.00 C ATOM 783 O VAL A 49 -0.551 8.180 -3.764 1.00 0.00 O ATOM 784 CB VAL A 49 0.953 8.096 -6.636 1.00 0.00 C ATOM 785 CG1 VAL A 49 2.426 8.002 -6.213 1.00 0.00 C ATOM 786 CG2 VAL A 49 0.862 7.819 -8.149 1.00 0.00 C ATOM 0 HA VAL A 49 0.390 6.111 -6.060 1.00 0.00 H new ATOM 0 HB VAL A 49 0.592 9.099 -6.409 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.018 8.706 -6.798 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.517 8.244 -5.154 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.790 6.990 -6.387 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.508 8.514 -8.686 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.181 6.796 -8.352 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.168 7.951 -8.482 1.00 0.00 H new ATOM 796 N GLY A 50 0.980 6.531 -3.657 1.00 0.00 N ATOM 797 CA GLY A 50 1.308 6.714 -2.246 1.00 0.00 C ATOM 798 C GLY A 50 0.430 5.901 -1.292 1.00 0.00 C ATOM 799 O GLY A 50 0.627 5.996 -0.080 1.00 0.00 O ATOM 0 H GLY A 50 1.465 5.745 -4.089 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.351 6.439 -2.087 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.216 7.771 -1.996 1.00 0.00 H new ATOM 803 N HIS A 51 -0.523 5.109 -1.796 1.00 0.00 N ATOM 804 CA HIS A 51 -1.285 4.187 -0.956 1.00 0.00 C ATOM 805 C HIS A 51 -0.341 3.119 -0.421 1.00 0.00 C ATOM 806 O HIS A 51 0.478 2.588 -1.171 1.00 0.00 O ATOM 807 CB HIS A 51 -2.433 3.527 -1.733 1.00 0.00 C ATOM 808 CG HIS A 51 -3.560 4.457 -2.101 1.00 0.00 C ATOM 809 ND1 HIS A 51 -4.513 4.217 -3.063 1.00 0.00 N ATOM 810 CD2 HIS A 51 -3.881 5.647 -1.501 1.00 0.00 C ATOM 811 CE1 HIS A 51 -5.373 5.247 -3.056 1.00 0.00 C ATOM 812 NE2 HIS A 51 -5.024 6.160 -2.129 1.00 0.00 N ATOM 0 H HIS A 51 -0.783 5.090 -2.782 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.728 4.750 -0.135 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -2.030 3.087 -2.645 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -2.835 2.709 -1.135 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.345 6.109 -0.685 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.231 5.333 -3.707 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -5.494 7.042 -1.926 1.00 0.00 H new ATOM 820 N ALA A 52 -0.471 2.802 0.862 1.00 0.00 N ATOM 821 CA ALA A 52 0.255 1.740 1.524 1.00 0.00 C ATOM 822 C ALA A 52 -0.507 0.435 1.348 1.00 0.00 C ATOM 823 O ALA A 52 -1.736 0.421 1.451 1.00 0.00 O ATOM 824 CB ALA A 52 0.348 2.074 3.013 1.00 0.00 C ATOM 0 H ALA A 52 -1.108 3.298 1.486 1.00 0.00 H new ATOM 0 HA ALA A 52 1.254 1.640 1.099 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.893 1.284 3.530 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.873 3.021 3.141 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.655 2.156 3.431 1.00 0.00 H new ATOM 830 N VAL A 53 0.211 -0.663 1.120 1.00 0.00 N ATOM 831 CA VAL A 53 -0.399 -1.985 1.163 1.00 0.00 C ATOM 832 C VAL A 53 -0.809 -2.241 2.618 1.00 0.00 C ATOM 833 O VAL A 53 -0.084 -1.868 3.544 1.00 0.00 O ATOM 834 CB VAL A 53 0.569 -3.056 0.631 1.00 0.00 C ATOM 835 CG1 VAL A 53 -0.086 -4.443 0.599 1.00 0.00 C ATOM 836 CG2 VAL A 53 1.032 -2.728 -0.796 1.00 0.00 C ATOM 0 H VAL A 53 1.208 -0.662 0.905 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.276 -2.035 0.518 1.00 0.00 H new ATOM 0 HB VAL A 53 1.420 -3.062 1.312 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.627 -5.174 0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.391 -4.725 1.607 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.961 -4.417 -0.051 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.715 -3.503 -1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.167 -2.683 -1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.543 -1.765 -0.800 1.00 0.00 H new ATOM 846 N LEU A 54 -1.955 -2.897 2.811 1.00 0.00 N ATOM 847 CA LEU A 54 -2.482 -3.264 4.121 1.00 0.00 C ATOM 848 C LEU A 54 -2.630 -4.785 4.213 1.00 0.00 C ATOM 849 O LEU A 54 -2.372 -5.337 5.280 1.00 0.00 O ATOM 850 CB LEU A 54 -3.812 -2.539 4.406 1.00 0.00 C ATOM 851 CG LEU A 54 -3.747 -0.992 4.414 1.00 0.00 C ATOM 852 CD1 LEU A 54 -5.144 -0.431 4.703 1.00 0.00 C ATOM 853 CD2 LEU A 54 -2.761 -0.407 5.437 1.00 0.00 C ATOM 0 H LEU A 54 -2.554 -3.193 2.041 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.778 -2.944 4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.541 -2.849 3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.186 -2.873 5.374 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.385 -0.699 3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.104 0.658 4.710 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.837 -0.764 3.930 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.486 -0.788 5.675 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.777 0.681 5.377 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.050 -0.719 6.441 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.755 -0.767 5.220 1.00 0.00 H new ATOM 865 N ALA A 55 -2.936 -5.490 3.114 1.00 0.00 N ATOM 866 CA ALA A 55 -2.885 -6.951 3.067 1.00 0.00 C ATOM 867 C ALA A 55 -2.630 -7.439 1.639 1.00 0.00 C ATOM 868 O ALA A 55 -2.926 -6.727 0.677 1.00 0.00 O ATOM 869 CB ALA A 55 -4.198 -7.548 3.592 1.00 0.00 C ATOM 0 H ALA A 55 -3.225 -5.060 2.236 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.063 -7.282 3.702 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.145 -8.636 3.551 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.355 -7.231 4.623 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.027 -7.202 2.975 1.00 0.00 H new ATOM 875 N ILE A 56 -2.151 -8.679 1.509 1.00 0.00 N ATOM 876 CA ILE A 56 -1.998 -9.402 0.248 1.00 0.00 C ATOM 877 C ILE A 56 -2.508 -10.814 0.514 1.00 0.00 C ATOM 878 O ILE A 56 -2.169 -11.409 1.535 1.00 0.00 O ATOM 879 CB ILE A 56 -0.524 -9.429 -0.229 1.00 0.00 C ATOM 880 CG1 ILE A 56 -0.030 -8.003 -0.536 1.00 0.00 C ATOM 881 CG2 ILE A 56 -0.382 -10.316 -1.485 1.00 0.00 C ATOM 882 CD1 ILE A 56 1.475 -7.905 -0.780 1.00 0.00 C ATOM 0 H ILE A 56 -1.847 -9.227 2.314 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.557 -8.912 -0.549 1.00 0.00 H new ATOM 0 HB ILE A 56 0.087 -9.848 0.571 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.555 -7.629 -1.415 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.296 -7.351 0.296 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.659 -10.325 -1.808 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.698 -11.332 -1.250 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.007 -9.917 -2.284 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.743 -6.869 -0.989 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.010 -8.246 0.106 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.747 -8.529 -1.631 1.00 0.00 H new ATOM 894 N ASN A 57 -3.301 -11.362 -0.408 1.00 0.00 N ATOM 895 CA ASN A 57 -3.915 -12.693 -0.339 1.00 0.00 C ATOM 896 C ASN A 57 -4.636 -12.931 1.003 1.00 0.00 C ATOM 897 O ASN A 57 -4.705 -14.061 1.489 1.00 0.00 O ATOM 898 CB ASN A 57 -2.879 -13.790 -0.672 1.00 0.00 C ATOM 899 CG ASN A 57 -2.211 -13.634 -2.038 1.00 0.00 C ATOM 900 OD1 ASN A 57 -2.751 -13.014 -2.954 1.00 0.00 O ATOM 901 ND2 ASN A 57 -1.013 -14.178 -2.191 1.00 0.00 N ATOM 0 H ASN A 57 -3.546 -10.867 -1.266 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.693 -12.747 -1.100 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.108 -13.790 0.098 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.371 -14.762 -0.631 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.521 -14.087 -3.080 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.582 -14.688 -1.420 1.00 0.00 H new ATOM 908 N GLY A 58 -5.140 -11.859 1.627 1.00 0.00 N ATOM 909 CA GLY A 58 -5.832 -11.888 2.914 1.00 0.00 C ATOM 910 C GLY A 58 -4.891 -11.817 4.125 1.00 0.00 C ATOM 911 O GLY A 58 -5.369 -11.640 5.246 1.00 0.00 O ATOM 0 H GLY A 58 -5.073 -10.920 1.235 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.531 -11.053 2.959 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.423 -12.802 2.978 1.00 0.00 H new ATOM 915 N MET A 59 -3.574 -11.931 3.929 1.00 0.00 N ATOM 916 CA MET A 59 -2.576 -11.797 4.982 1.00 0.00 C ATOM 917 C MET A 59 -2.244 -10.316 5.142 1.00 0.00 C ATOM 918 O MET A 59 -1.713 -9.692 4.221 1.00 0.00 O ATOM 919 CB MET A 59 -1.304 -12.592 4.634 1.00 0.00 C ATOM 920 CG MET A 59 -1.538 -14.105 4.572 1.00 0.00 C ATOM 921 SD MET A 59 -2.024 -14.866 6.148 1.00 0.00 S ATOM 922 CE MET A 59 -2.182 -16.591 5.610 1.00 0.00 C ATOM 0 H MET A 59 -3.169 -12.123 3.013 1.00 0.00 H new ATOM 0 HA MET A 59 -2.972 -12.197 5.915 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.921 -12.250 3.673 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.535 -12.380 5.377 1.00 0.00 H new ATOM 0 HG2 MET A 59 -2.312 -14.309 3.832 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.626 -14.585 4.219 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.477 -17.211 6.457 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.938 -16.660 4.828 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.225 -16.940 5.221 1.00 0.00 H new ATOM 932 N ASP A 60 -2.571 -9.752 6.306 1.00 0.00 N ATOM 933 CA ASP A 60 -2.148 -8.416 6.727 1.00 0.00 C ATOM 934 C ASP A 60 -0.628 -8.288 6.577 1.00 0.00 C ATOM 935 O ASP A 60 0.102 -9.194 6.992 1.00 0.00 O ATOM 936 CB ASP A 60 -2.569 -8.202 8.187 1.00 0.00 C ATOM 937 CG ASP A 60 -1.971 -6.918 8.788 1.00 0.00 C ATOM 938 OD1 ASP A 60 -2.591 -5.841 8.653 1.00 0.00 O ATOM 939 OD2 ASP A 60 -0.916 -6.997 9.455 1.00 0.00 O ATOM 0 H ASP A 60 -3.152 -10.224 6.999 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.620 -7.656 6.104 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.656 -8.155 8.245 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.255 -9.059 8.782 1.00 0.00 H new ATOM 944 N VAL A 61 -0.144 -7.197 5.978 1.00 0.00 N ATOM 945 CA VAL A 61 1.292 -6.973 5.835 1.00 0.00 C ATOM 946 C VAL A 61 1.784 -6.148 7.027 1.00 0.00 C ATOM 947 O VAL A 61 1.185 -5.137 7.404 1.00 0.00 O ATOM 948 CB VAL A 61 1.675 -6.368 4.463 1.00 0.00 C ATOM 949 CG1 VAL A 61 1.272 -7.306 3.314 1.00 0.00 C ATOM 950 CG2 VAL A 61 1.103 -4.974 4.181 1.00 0.00 C ATOM 0 H VAL A 61 -0.727 -6.457 5.586 1.00 0.00 H new ATOM 0 HA VAL A 61 1.805 -7.935 5.847 1.00 0.00 H new ATOM 0 HB VAL A 61 2.758 -6.255 4.518 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.553 -6.856 2.362 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.783 -8.262 3.428 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.194 -7.466 3.336 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.429 -4.639 3.196 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.014 -5.015 4.208 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.459 -4.275 4.938 1.00 0.00 H new ATOM 960 N ASN A 62 2.900 -6.578 7.611 1.00 0.00 N ATOM 961 CA ASN A 62 3.662 -5.846 8.610 1.00 0.00 C ATOM 962 C ASN A 62 4.481 -4.783 7.871 1.00 0.00 C ATOM 963 O ASN A 62 5.687 -4.953 7.670 1.00 0.00 O ATOM 964 CB ASN A 62 4.543 -6.819 9.411 1.00 0.00 C ATOM 965 CG ASN A 62 5.422 -6.105 10.438 1.00 0.00 C ATOM 966 OD1 ASN A 62 5.138 -4.991 10.874 1.00 0.00 O ATOM 967 ND2 ASN A 62 6.501 -6.741 10.866 1.00 0.00 N ATOM 0 H ASN A 62 3.312 -7.484 7.389 1.00 0.00 H new ATOM 0 HA ASN A 62 3.012 -5.353 9.333 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.908 -7.542 9.922 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.176 -7.380 8.724 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.106 -6.307 11.564 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.728 -7.665 10.498 1.00 0.00 H new ATOM 974 N GLY A 63 3.793 -3.747 7.371 1.00 0.00 N ATOM 975 CA GLY A 63 4.317 -2.557 6.696 1.00 0.00 C ATOM 976 C GLY A 63 4.953 -2.834 5.334 1.00 0.00 C ATOM 977 O GLY A 63 4.513 -2.304 4.313 1.00 0.00 O ATOM 0 H GLY A 63 2.775 -3.720 7.434 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.506 -1.841 6.566 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.058 -2.085 7.341 1.00 0.00 H new ATOM 981 N ARG A 64 5.985 -3.669 5.317 1.00 0.00 N ATOM 982 CA ARG A 64 6.804 -4.031 4.163 1.00 0.00 C ATOM 983 C ARG A 64 7.101 -5.530 4.130 1.00 0.00 C ATOM 984 O ARG A 64 7.684 -6.002 3.152 1.00 0.00 O ATOM 985 CB ARG A 64 8.096 -3.193 4.185 1.00 0.00 C ATOM 986 CG ARG A 64 8.971 -3.447 5.428 1.00 0.00 C ATOM 987 CD ARG A 64 10.157 -2.481 5.439 1.00 0.00 C ATOM 988 NE ARG A 64 10.990 -2.612 6.644 1.00 0.00 N ATOM 989 CZ ARG A 64 10.796 -1.966 7.801 1.00 0.00 C ATOM 990 NH1 ARG A 64 9.681 -1.290 8.041 1.00 0.00 N ATOM 991 NH2 ARG A 64 11.722 -1.958 8.750 1.00 0.00 N ATOM 0 H ARG A 64 6.294 -4.144 6.165 1.00 0.00 H new ATOM 0 HA ARG A 64 6.252 -3.811 3.249 1.00 0.00 H new ATOM 0 HB2 ARG A 64 8.678 -3.413 3.290 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.835 -2.136 4.144 1.00 0.00 H new ATOM 0 HG2 ARG A 64 8.378 -3.318 6.333 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.330 -4.476 5.426 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.772 -2.659 4.557 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.787 -1.458 5.369 1.00 0.00 H new ATOM 0 HE ARG A 64 11.784 -3.250 6.594 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.945 -1.253 7.336 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.559 -0.807 8.931 1.00 0.00 H new ATOM 0 HH21 ARG A 64 12.604 -2.451 8.606 1.00 0.00 H new ATOM 0 HH22 ARG A 64 11.553 -1.459 9.624 1.00 0.00 H new ATOM 1005 N TYR A 65 6.687 -6.283 5.152 1.00 0.00 N ATOM 1006 CA TYR A 65 6.846 -7.731 5.197 1.00 0.00 C ATOM 1007 C TYR A 65 5.454 -8.358 5.244 1.00 0.00 C ATOM 1008 O TYR A 65 4.517 -7.717 5.718 1.00 0.00 O ATOM 1009 CB TYR A 65 7.682 -8.131 6.421 1.00 0.00 C ATOM 1010 CG TYR A 65 8.965 -7.338 6.630 1.00 0.00 C ATOM 1011 CD1 TYR A 65 9.974 -7.338 5.647 1.00 0.00 C ATOM 1012 CD2 TYR A 65 9.147 -6.592 7.812 1.00 0.00 C ATOM 1013 CE1 TYR A 65 11.154 -6.595 5.835 1.00 0.00 C ATOM 1014 CE2 TYR A 65 10.340 -5.878 8.026 1.00 0.00 C ATOM 1015 CZ TYR A 65 11.354 -5.884 7.040 1.00 0.00 C ATOM 1016 OH TYR A 65 12.519 -5.205 7.238 1.00 0.00 O ATOM 0 H TYR A 65 6.228 -5.897 5.977 1.00 0.00 H new ATOM 0 HA TYR A 65 7.374 -8.089 4.313 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.062 -8.026 7.312 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.939 -9.187 6.334 1.00 0.00 H new ATOM 0 HD1 TYR A 65 9.841 -7.913 4.742 1.00 0.00 H new ATOM 0 HD2 TYR A 65 8.366 -6.568 8.558 1.00 0.00 H new ATOM 0 HE1 TYR A 65 11.906 -6.568 5.060 1.00 0.00 H new ATOM 0 HE2 TYR A 65 10.482 -5.325 8.943 1.00 0.00 H new ATOM 0 HH TYR A 65 12.498 -4.769 8.115 1.00 0.00 H new ATOM 1026 N THR A 66 5.283 -9.592 4.781 1.00 0.00 N ATOM 1027 CA THR A 66 4.034 -10.318 4.970 1.00 0.00 C ATOM 1028 C THR A 66 3.861 -10.695 6.448 1.00 0.00 C ATOM 1029 O THR A 66 4.750 -10.476 7.279 1.00 0.00 O ATOM 1030 CB THR A 66 3.996 -11.566 4.071 1.00 0.00 C ATOM 1031 OG1 THR A 66 5.085 -12.424 4.354 1.00 0.00 O ATOM 1032 CG2 THR A 66 4.020 -11.201 2.589 1.00 0.00 C ATOM 0 H THR A 66 5.997 -10.111 4.270 1.00 0.00 H new ATOM 0 HA THR A 66 3.203 -9.673 4.683 1.00 0.00 H new ATOM 0 HB THR A 66 3.059 -12.079 4.287 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.041 -13.212 3.773 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.992 -12.111 1.990 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.153 -10.584 2.352 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.932 -10.647 2.365 1.00 0.00 H new ATOM 1040 N ALA A 67 2.723 -11.316 6.761 1.00 0.00 N ATOM 1041 CA ALA A 67 2.487 -11.937 8.056 1.00 0.00 C ATOM 1042 C ALA A 67 3.562 -12.994 8.353 1.00 0.00 C ATOM 1043 O ALA A 67 4.015 -13.119 9.491 1.00 0.00 O ATOM 1044 CB ALA A 67 1.102 -12.589 8.034 1.00 0.00 C ATOM 0 H ALA A 67 1.937 -11.400 6.116 1.00 0.00 H new ATOM 0 HA ALA A 67 2.534 -11.180 8.839 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.906 -13.060 8.997 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.345 -11.829 7.842 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.067 -13.343 7.247 1.00 0.00 H new ATOM 1050 N ASP A 68 3.968 -13.746 7.325 1.00 0.00 N ATOM 1051 CA ASP A 68 5.020 -14.759 7.426 1.00 0.00 C ATOM 1052 C ASP A 68 6.405 -14.120 7.567 1.00 0.00 C ATOM 1053 O ASP A 68 7.230 -14.614 8.339 1.00 0.00 O ATOM 1054 CB ASP A 68 5.003 -15.675 6.197 1.00 0.00 C ATOM 1055 CG ASP A 68 6.101 -16.746 6.305 1.00 0.00 C ATOM 1056 OD1 ASP A 68 5.919 -17.726 7.063 1.00 0.00 O ATOM 1057 OD2 ASP A 68 7.137 -16.626 5.616 1.00 0.00 O ATOM 0 H ASP A 68 3.570 -13.666 6.389 1.00 0.00 H new ATOM 0 HA ASP A 68 4.819 -15.347 8.321 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.028 -16.154 6.107 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.152 -15.083 5.294 1.00 0.00 H new ATOM 1062 N GLY A 69 6.649 -13.008 6.863 1.00 0.00 N ATOM 1063 CA GLY A 69 7.874 -12.215 6.963 1.00 0.00 C ATOM 1064 C GLY A 69 8.592 -12.010 5.623 1.00 0.00 C ATOM 1065 O GLY A 69 9.692 -11.455 5.607 1.00 0.00 O ATOM 0 H GLY A 69 5.981 -12.628 6.192 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.631 -11.241 7.387 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.556 -12.704 7.659 1.00 0.00 H new ATOM 1069 N LYS A 70 8.013 -12.464 4.506 1.00 0.00 N ATOM 1070 CA LYS A 70 8.560 -12.256 3.163 1.00 0.00 C ATOM 1071 C LYS A 70 8.544 -10.758 2.882 1.00 0.00 C ATOM 1072 O LYS A 70 7.544 -10.109 3.187 1.00 0.00 O ATOM 1073 CB LYS A 70 7.693 -12.989 2.117 1.00 0.00 C ATOM 1074 CG LYS A 70 7.503 -14.497 2.361 1.00 0.00 C ATOM 1075 CD LYS A 70 8.795 -15.303 2.176 1.00 0.00 C ATOM 1076 CE LYS A 70 8.526 -16.788 2.450 1.00 0.00 C ATOM 1077 NZ LYS A 70 9.746 -17.620 2.297 1.00 0.00 N ATOM 0 H LYS A 70 7.141 -12.993 4.511 1.00 0.00 H new ATOM 0 HA LYS A 70 9.575 -12.649 3.104 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.711 -12.516 2.087 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.144 -12.851 1.134 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.127 -14.651 3.373 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.744 -14.877 1.678 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.173 -15.174 1.162 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.565 -14.933 2.853 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.135 -16.903 3.461 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.756 -17.147 1.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.514 -18.615 2.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.106 -17.532 1.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.473 -17.296 2.966 1.00 0.00 H new ATOM 1091 N GLU A 71 9.601 -10.192 2.302 1.00 0.00 N ATOM 1092 CA GLU A 71 9.562 -8.808 1.844 1.00 0.00 C ATOM 1093 C GLU A 71 8.536 -8.735 0.716 1.00 0.00 C ATOM 1094 O GLU A 71 8.618 -9.505 -0.241 1.00 0.00 O ATOM 1095 CB GLU A 71 10.957 -8.343 1.401 1.00 0.00 C ATOM 1096 CG GLU A 71 10.967 -6.841 1.075 1.00 0.00 C ATOM 1097 CD GLU A 71 12.380 -6.342 0.727 1.00 0.00 C ATOM 1098 OE1 GLU A 71 13.197 -6.118 1.649 1.00 0.00 O ATOM 1099 OE2 GLU A 71 12.679 -6.144 -0.472 1.00 0.00 O ATOM 0 H GLU A 71 10.488 -10.668 2.140 1.00 0.00 H new ATOM 0 HA GLU A 71 9.266 -8.134 2.648 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.680 -8.551 2.190 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.270 -8.910 0.524 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.296 -6.646 0.238 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.584 -6.281 1.928 1.00 0.00 H new ATOM 1106 N VAL A 72 7.564 -7.833 0.835 1.00 0.00 N ATOM 1107 CA VAL A 72 6.406 -7.782 -0.056 1.00 0.00 C ATOM 1108 C VAL A 72 6.826 -7.628 -1.525 1.00 0.00 C ATOM 1109 O VAL A 72 6.210 -8.240 -2.397 1.00 0.00 O ATOM 1110 CB VAL A 72 5.450 -6.672 0.427 1.00 0.00 C ATOM 1111 CG1 VAL A 72 4.398 -6.323 -0.631 1.00 0.00 C ATOM 1112 CG2 VAL A 72 4.741 -7.111 1.721 1.00 0.00 C ATOM 0 H VAL A 72 7.557 -7.112 1.557 1.00 0.00 H new ATOM 0 HA VAL A 72 5.868 -8.729 -0.015 1.00 0.00 H new ATOM 0 HB VAL A 72 6.053 -5.783 0.613 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.746 -5.537 -0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.894 -5.975 -1.537 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.805 -7.208 -0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.068 -6.320 2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.168 -8.019 1.532 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.484 -7.305 2.495 1.00 0.00 H new ATOM 1122 N LEU A 73 7.876 -6.853 -1.814 1.00 0.00 N ATOM 1123 CA LEU A 73 8.310 -6.637 -3.193 1.00 0.00 C ATOM 1124 C LEU A 73 8.769 -7.961 -3.814 1.00 0.00 C ATOM 1125 O LEU A 73 8.404 -8.271 -4.950 1.00 0.00 O ATOM 1126 CB LEU A 73 9.423 -5.573 -3.264 1.00 0.00 C ATOM 1127 CG LEU A 73 9.049 -4.193 -2.680 1.00 0.00 C ATOM 1128 CD1 LEU A 73 10.223 -3.221 -2.834 1.00 0.00 C ATOM 1129 CD2 LEU A 73 7.802 -3.577 -3.330 1.00 0.00 C ATOM 0 H LEU A 73 8.437 -6.368 -1.114 1.00 0.00 H new ATOM 0 HA LEU A 73 7.463 -6.262 -3.768 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.298 -5.949 -2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.713 -5.442 -4.306 1.00 0.00 H new ATOM 0 HG LEU A 73 8.820 -4.359 -1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.949 -2.251 -2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.091 -3.611 -2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.466 -3.108 -3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.595 -2.609 -2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.976 -3.445 -4.398 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.949 -4.239 -3.180 1.00 0.00 H new ATOM 1141 N GLU A 74 9.518 -8.774 -3.063 1.00 0.00 N ATOM 1142 CA GLU A 74 9.953 -10.092 -3.521 1.00 0.00 C ATOM 1143 C GLU A 74 8.766 -11.059 -3.554 1.00 0.00 C ATOM 1144 O GLU A 74 8.659 -11.863 -4.478 1.00 0.00 O ATOM 1145 CB GLU A 74 11.066 -10.647 -2.616 1.00 0.00 C ATOM 1146 CG GLU A 74 12.345 -9.801 -2.672 1.00 0.00 C ATOM 1147 CD GLU A 74 13.516 -10.500 -1.961 1.00 0.00 C ATOM 1148 OE1 GLU A 74 13.680 -10.342 -0.730 1.00 0.00 O ATOM 1149 OE2 GLU A 74 14.304 -11.207 -2.632 1.00 0.00 O ATOM 0 H GLU A 74 9.838 -8.536 -2.124 1.00 0.00 H new ATOM 0 HA GLU A 74 10.353 -9.988 -4.530 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.707 -10.689 -1.588 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.297 -11.669 -2.915 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.611 -9.611 -3.712 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.162 -8.832 -2.207 1.00 0.00 H new ATOM 1156 N TYR A 75 7.852 -10.964 -2.583 1.00 0.00 N ATOM 1157 CA TYR A 75 6.676 -11.818 -2.491 1.00 0.00 C ATOM 1158 C TYR A 75 5.795 -11.668 -3.732 1.00 0.00 C ATOM 1159 O TYR A 75 5.330 -12.668 -4.276 1.00 0.00 O ATOM 1160 CB TYR A 75 5.889 -11.470 -1.218 1.00 0.00 C ATOM 1161 CG TYR A 75 4.799 -12.456 -0.849 1.00 0.00 C ATOM 1162 CD1 TYR A 75 5.152 -13.769 -0.487 1.00 0.00 C ATOM 1163 CD2 TYR A 75 3.447 -12.054 -0.799 1.00 0.00 C ATOM 1164 CE1 TYR A 75 4.172 -14.672 -0.044 1.00 0.00 C ATOM 1165 CE2 TYR A 75 2.460 -12.950 -0.350 1.00 0.00 C ATOM 1166 CZ TYR A 75 2.821 -14.264 0.038 1.00 0.00 C ATOM 1167 OH TYR A 75 1.885 -15.136 0.509 1.00 0.00 O ATOM 0 H TYR A 75 7.915 -10.279 -1.830 1.00 0.00 H new ATOM 0 HA TYR A 75 6.997 -12.858 -2.438 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.588 -11.396 -0.385 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.439 -10.485 -1.345 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.183 -14.084 -0.550 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.170 -11.056 -1.106 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.450 -15.678 0.234 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.428 -12.637 -0.301 1.00 0.00 H new ATOM 0 HH TYR A 75 1.005 -14.705 0.504 1.00 0.00 H new ATOM 1177 N LEU A 76 5.581 -10.432 -4.192 1.00 0.00 N ATOM 1178 CA LEU A 76 4.814 -10.145 -5.400 1.00 0.00 C ATOM 1179 C LEU A 76 5.637 -10.468 -6.649 1.00 0.00 C ATOM 1180 O LEU A 76 5.081 -10.943 -7.638 1.00 0.00 O ATOM 1181 CB LEU A 76 4.389 -8.666 -5.412 1.00 0.00 C ATOM 1182 CG LEU A 76 3.345 -8.294 -4.338 1.00 0.00 C ATOM 1183 CD1 LEU A 76 3.078 -6.786 -4.377 1.00 0.00 C ATOM 1184 CD2 LEU A 76 2.031 -9.062 -4.521 1.00 0.00 C ATOM 0 H LEU A 76 5.940 -9.597 -3.729 1.00 0.00 H new ATOM 0 HA LEU A 76 3.922 -10.772 -5.404 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.274 -8.045 -5.272 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.983 -8.425 -6.395 1.00 0.00 H new ATOM 0 HG LEU A 76 3.755 -8.574 -3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.340 -6.527 -3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.005 -6.247 -4.181 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.698 -6.509 -5.360 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.326 -8.768 -3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.608 -8.832 -5.499 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.223 -10.133 -4.451 1.00 0.00 H new ATOM 1196 N GLY A 77 6.954 -10.227 -6.613 1.00 0.00 N ATOM 1197 CA GLY A 77 7.849 -10.514 -7.727 1.00 0.00 C ATOM 1198 C GLY A 77 7.936 -12.011 -8.045 1.00 0.00 C ATOM 1199 O GLY A 77 8.093 -12.374 -9.210 1.00 0.00 O ATOM 0 H GLY A 77 7.425 -9.825 -5.803 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.505 -9.978 -8.612 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.845 -10.138 -7.494 1.00 0.00 H new ATOM 1203 N ASN A 78 7.828 -12.874 -7.030 1.00 0.00 N ATOM 1204 CA ASN A 78 7.868 -14.330 -7.161 1.00 0.00 C ATOM 1205 C ASN A 78 6.735 -14.818 -8.077 1.00 0.00 C ATOM 1206 O ASN A 78 5.570 -14.681 -7.696 1.00 0.00 O ATOM 1207 CB ASN A 78 7.737 -14.964 -5.764 1.00 0.00 C ATOM 1208 CG ASN A 78 7.712 -16.491 -5.787 1.00 0.00 C ATOM 1209 OD1 ASN A 78 7.874 -17.134 -6.820 1.00 0.00 O ATOM 1210 ND2 ASN A 78 7.500 -17.112 -4.639 1.00 0.00 N ATOM 0 H ASN A 78 7.707 -12.567 -6.065 1.00 0.00 H new ATOM 0 HA ASN A 78 8.817 -14.627 -7.608 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.569 -14.632 -5.144 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.823 -14.601 -5.293 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.470 -18.131 -4.608 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.366 -16.572 -3.784 1.00 0.00 H new ATOM 1217 N PRO A 79 7.011 -15.426 -9.248 1.00 0.00 N ATOM 1218 CA PRO A 79 5.960 -15.842 -10.166 1.00 0.00 C ATOM 1219 C PRO A 79 5.127 -17.025 -9.667 1.00 0.00 C ATOM 1220 O PRO A 79 4.021 -17.226 -10.173 1.00 0.00 O ATOM 1221 CB PRO A 79 6.644 -16.077 -11.508 1.00 0.00 C ATOM 1222 CG PRO A 79 8.055 -16.501 -11.101 1.00 0.00 C ATOM 1223 CD PRO A 79 8.319 -15.681 -9.837 1.00 0.00 C ATOM 0 HA PRO A 79 5.201 -15.065 -10.258 1.00 0.00 H new ATOM 0 HB2 PRO A 79 6.141 -16.851 -12.088 1.00 0.00 H new ATOM 0 HB3 PRO A 79 6.654 -15.175 -12.120 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.112 -17.572 -10.905 1.00 0.00 H new ATOM 0 HG3 PRO A 79 8.782 -16.281 -11.882 1.00 0.00 H new ATOM 0 HD2 PRO A 79 8.960 -16.226 -9.144 1.00 0.00 H new ATOM 0 HD3 PRO A 79 8.829 -14.748 -10.076 1.00 0.00 H new ATOM 1231 N ALA A 80 5.572 -17.759 -8.637 1.00 0.00 N ATOM 1232 CA ALA A 80 4.725 -18.750 -7.969 1.00 0.00 C ATOM 1233 C ALA A 80 3.527 -18.071 -7.274 1.00 0.00 C ATOM 1234 O ALA A 80 2.574 -18.744 -6.880 1.00 0.00 O ATOM 1235 CB ALA A 80 5.550 -19.531 -6.941 1.00 0.00 C ATOM 0 H ALA A 80 6.513 -17.683 -8.251 1.00 0.00 H new ATOM 0 HA ALA A 80 4.340 -19.437 -8.722 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.915 -20.266 -6.448 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.371 -20.041 -7.445 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.952 -18.842 -6.198 1.00 0.00 H new ATOM 1241 N ASN A 81 3.583 -16.744 -7.122 1.00 0.00 N ATOM 1242 CA ASN A 81 2.619 -15.882 -6.455 1.00 0.00 C ATOM 1243 C ASN A 81 2.382 -14.637 -7.332 1.00 0.00 C ATOM 1244 O ASN A 81 2.231 -13.528 -6.829 1.00 0.00 O ATOM 1245 CB ASN A 81 3.185 -15.544 -5.067 1.00 0.00 C ATOM 1246 CG ASN A 81 2.239 -14.702 -4.217 1.00 0.00 C ATOM 1247 OD1 ASN A 81 1.059 -15.006 -4.065 1.00 0.00 O ATOM 1248 ND2 ASN A 81 2.760 -13.653 -3.609 1.00 0.00 N ATOM 0 H ASN A 81 4.368 -16.209 -7.494 1.00 0.00 H new ATOM 0 HA ASN A 81 1.650 -16.363 -6.318 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.409 -16.471 -4.539 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.127 -15.009 -5.187 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.180 -13.077 -2.999 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.743 -13.418 -3.749 1.00 0.00 H new ATOM 1255 N TYR A 82 2.413 -14.799 -8.664 1.00 0.00 N ATOM 1256 CA TYR A 82 2.025 -13.743 -9.600 1.00 0.00 C ATOM 1257 C TYR A 82 0.539 -13.365 -9.444 1.00 0.00 C ATOM 1258 O TYR A 82 0.269 -12.183 -9.237 1.00 0.00 O ATOM 1259 CB TYR A 82 2.356 -14.138 -11.056 1.00 0.00 C ATOM 1260 CG TYR A 82 3.555 -13.482 -11.735 1.00 0.00 C ATOM 1261 CD1 TYR A 82 4.588 -12.831 -11.021 1.00 0.00 C ATOM 1262 CD2 TYR A 82 3.614 -13.519 -13.143 1.00 0.00 C ATOM 1263 CE1 TYR A 82 5.653 -12.219 -11.707 1.00 0.00 C ATOM 1264 CE2 TYR A 82 4.676 -12.910 -13.833 1.00 0.00 C ATOM 1265 CZ TYR A 82 5.701 -12.251 -13.119 1.00 0.00 C ATOM 1266 OH TYR A 82 6.715 -11.650 -13.801 1.00 0.00 O ATOM 0 H TYR A 82 2.707 -15.664 -9.117 1.00 0.00 H new ATOM 0 HA TYR A 82 2.611 -12.857 -9.356 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.511 -15.217 -11.079 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.476 -13.929 -11.664 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.559 -12.804 -9.942 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.835 -14.021 -13.697 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.436 -11.723 -11.153 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.708 -12.946 -14.912 1.00 0.00 H new ATOM 0 HH TYR A 82 6.582 -11.776 -14.764 1.00 0.00 H new ATOM 1276 N PRO A 83 -0.437 -14.294 -9.540 1.00 0.00 N ATOM 1277 CA PRO A 83 -1.837 -13.948 -9.318 1.00 0.00 C ATOM 1278 C PRO A 83 -2.064 -13.699 -7.824 1.00 0.00 C ATOM 1279 O PRO A 83 -1.715 -14.544 -6.995 1.00 0.00 O ATOM 1280 CB PRO A 83 -2.649 -15.131 -9.853 1.00 0.00 C ATOM 1281 CG PRO A 83 -1.697 -16.318 -9.718 1.00 0.00 C ATOM 1282 CD PRO A 83 -0.315 -15.696 -9.926 1.00 0.00 C ATOM 0 HA PRO A 83 -2.140 -13.034 -9.829 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.562 -15.283 -9.277 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -2.949 -14.974 -10.889 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.781 -16.790 -8.739 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -1.907 -17.087 -10.462 1.00 0.00 H new ATOM 0 HD2 PRO A 83 0.435 -16.203 -9.319 1.00 0.00 H new ATOM 0 HD3 PRO A 83 0.001 -15.788 -10.965 1.00 0.00 H new ATOM 1290 N VAL A 84 -2.654 -12.554 -7.477 1.00 0.00 N ATOM 1291 CA VAL A 84 -2.808 -12.100 -6.097 1.00 0.00 C ATOM 1292 C VAL A 84 -4.077 -11.263 -5.938 1.00 0.00 C ATOM 1293 O VAL A 84 -4.683 -10.829 -6.921 1.00 0.00 O ATOM 1294 CB VAL A 84 -1.576 -11.264 -5.653 1.00 0.00 C ATOM 1295 CG1 VAL A 84 -0.312 -12.110 -5.524 1.00 0.00 C ATOM 1296 CG2 VAL A 84 -1.286 -10.073 -6.581 1.00 0.00 C ATOM 0 H VAL A 84 -3.045 -11.906 -8.161 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.886 -12.984 -5.464 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.849 -10.877 -4.671 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.519 -11.477 -5.211 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.472 -12.892 -4.782 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.079 -12.565 -6.487 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.414 -9.531 -6.215 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.090 -10.437 -7.590 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.148 -9.406 -6.597 1.00 0.00 H new ATOM 1306 N SER A 85 -4.427 -10.988 -4.686 1.00 0.00 N ATOM 1307 CA SER A 85 -5.451 -10.039 -4.281 1.00 0.00 C ATOM 1308 C SER A 85 -4.753 -9.102 -3.301 1.00 0.00 C ATOM 1309 O SER A 85 -3.976 -9.580 -2.473 1.00 0.00 O ATOM 1310 CB SER A 85 -6.630 -10.769 -3.625 1.00 0.00 C ATOM 1311 OG SER A 85 -7.141 -11.786 -4.474 1.00 0.00 O ATOM 0 H SER A 85 -3.981 -11.444 -3.890 1.00 0.00 H new ATOM 0 HA SER A 85 -5.870 -9.491 -5.125 1.00 0.00 H new ATOM 0 HB2 SER A 85 -6.309 -11.208 -2.680 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.420 -10.055 -3.393 1.00 0.00 H new ATOM 0 HG SER A 85 -7.890 -12.236 -4.031 1.00 0.00 H new ATOM 1317 N ILE A 86 -4.978 -7.791 -3.382 1.00 0.00 N ATOM 1318 CA ILE A 86 -4.278 -6.814 -2.558 1.00 0.00 C ATOM 1319 C ILE A 86 -5.336 -5.870 -1.993 1.00 0.00 C ATOM 1320 O ILE A 86 -6.319 -5.533 -2.662 1.00 0.00 O ATOM 1321 CB ILE A 86 -3.169 -6.092 -3.372 1.00 0.00 C ATOM 1322 CG1 ILE A 86 -2.234 -7.116 -4.066 1.00 0.00 C ATOM 1323 CG2 ILE A 86 -2.355 -5.148 -2.464 1.00 0.00 C ATOM 1324 CD1 ILE A 86 -1.018 -6.516 -4.780 1.00 0.00 C ATOM 0 H ILE A 86 -5.654 -7.378 -4.024 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.750 -7.288 -1.731 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.654 -5.496 -4.145 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.881 -7.826 -3.318 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.818 -7.682 -4.792 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.584 -4.652 -3.053 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.018 -4.399 -2.030 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.887 -5.725 -1.666 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.430 -7.315 -5.231 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.354 -5.830 -5.557 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.403 -5.976 -4.060 1.00 0.00 H new ATOM 1336 N ARG A 87 -5.118 -5.445 -0.749 1.00 0.00 N ATOM 1337 CA ARG A 87 -5.925 -4.464 -0.040 1.00 0.00 C ATOM 1338 C ARG A 87 -4.939 -3.380 0.363 1.00 0.00 C ATOM 1339 O ARG A 87 -3.874 -3.699 0.902 1.00 0.00 O ATOM 1340 CB ARG A 87 -6.598 -5.097 1.196 1.00 0.00 C ATOM 1341 CG ARG A 87 -7.375 -6.394 0.892 1.00 0.00 C ATOM 1342 CD ARG A 87 -8.012 -7.008 2.147 1.00 0.00 C ATOM 1343 NE ARG A 87 -9.136 -6.200 2.647 1.00 0.00 N ATOM 1344 CZ ARG A 87 -9.360 -5.765 3.889 1.00 0.00 C ATOM 1345 NH1 ARG A 87 -8.507 -5.993 4.885 1.00 0.00 N ATOM 1346 NH2 ARG A 87 -10.478 -5.088 4.105 1.00 0.00 N ATOM 0 H ARG A 87 -4.340 -5.792 -0.188 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.737 -4.071 -0.652 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.834 -5.310 1.944 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.281 -4.371 1.637 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.154 -6.183 0.159 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.700 -7.120 0.439 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.362 -8.015 1.920 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.257 -7.101 2.928 1.00 0.00 H new ATOM 0 HE ARG A 87 -9.836 -5.938 1.953 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.649 -6.516 4.712 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.712 -5.645 5.822 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.128 -4.918 3.337 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.689 -4.737 5.039 1.00 0.00 H new ATOM 1360 N PHE A 88 -5.259 -2.122 0.097 1.00 0.00 N ATOM 1361 CA PHE A 88 -4.387 -0.985 0.361 1.00 0.00 C ATOM 1362 C PHE A 88 -5.228 0.159 0.932 1.00 0.00 C ATOM 1363 O PHE A 88 -6.456 0.066 0.996 1.00 0.00 O ATOM 1364 CB PHE A 88 -3.586 -0.607 -0.907 1.00 0.00 C ATOM 1365 CG PHE A 88 -4.334 -0.629 -2.228 1.00 0.00 C ATOM 1366 CD1 PHE A 88 -5.274 0.377 -2.522 1.00 0.00 C ATOM 1367 CD2 PHE A 88 -4.069 -1.638 -3.182 1.00 0.00 C ATOM 1368 CE1 PHE A 88 -5.970 0.360 -3.745 1.00 0.00 C ATOM 1369 CE2 PHE A 88 -4.769 -1.653 -4.401 1.00 0.00 C ATOM 1370 CZ PHE A 88 -5.722 -0.659 -4.682 1.00 0.00 C ATOM 0 H PHE A 88 -6.152 -1.857 -0.318 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.636 -1.237 1.109 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -3.180 0.394 -0.765 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.738 -1.287 -0.987 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -5.462 1.164 -1.807 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -3.329 -2.397 -2.974 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -6.695 1.130 -3.964 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -4.574 -2.431 -5.124 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.263 -0.678 -5.616 1.00 0.00 H new ATOM 1380 N GLY A 89 -4.571 1.225 1.382 1.00 0.00 N ATOM 1381 CA GLY A 89 -5.205 2.367 2.021 1.00 0.00 C ATOM 1382 C GLY A 89 -4.202 3.498 2.172 1.00 0.00 C ATOM 1383 O GLY A 89 -3.062 3.388 1.715 1.00 0.00 O ATOM 0 H GLY A 89 -3.558 1.317 1.309 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.056 2.701 1.427 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.592 2.079 2.999 1.00 0.00 H new ATOM 1387 N ARG A 90 -4.597 4.603 2.807 1.00 0.00 N ATOM 1388 CA ARG A 90 -3.620 5.628 3.177 1.00 0.00 C ATOM 1389 C ARG A 90 -2.701 5.028 4.258 1.00 0.00 C ATOM 1390 O ARG A 90 -3.193 4.264 5.091 1.00 0.00 O ATOM 1391 CB ARG A 90 -4.307 6.913 3.683 1.00 0.00 C ATOM 1392 CG ARG A 90 -5.052 7.738 2.614 1.00 0.00 C ATOM 1393 CD ARG A 90 -6.399 7.171 2.142 1.00 0.00 C ATOM 1394 NE ARG A 90 -7.364 7.023 3.248 1.00 0.00 N ATOM 1395 CZ ARG A 90 -8.635 6.619 3.138 1.00 0.00 C ATOM 1396 NH1 ARG A 90 -9.170 6.280 1.973 1.00 0.00 N ATOM 1397 NH2 ARG A 90 -9.389 6.550 4.223 1.00 0.00 N ATOM 0 H ARG A 90 -5.561 4.809 3.070 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.038 5.917 2.302 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.016 6.640 4.465 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.552 7.549 4.145 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.221 8.740 3.009 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.401 7.843 1.746 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.820 7.828 1.381 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.237 6.201 1.672 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.031 7.250 4.185 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.609 6.323 1.122 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.143 5.977 1.928 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.000 6.803 5.131 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -10.359 6.243 4.151 1.00 0.00 H new