USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 519 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 Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -52:sc= 0.0747 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.176 USER MOD Single : A 32 MET CE :methyl -166:sc= -1.53 (180deg=-1.87) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 153:sc= -0.675 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -30:sc= -1.61 USER MOD Single : A 53 HIS : no HE2:sc= -1.61 K(o=-1.6,f=-2.4!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -1.01 K(o=-1,f=-4.8!) USER MOD Single : A 65 SER OG : rot 180:sc= -1.36 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.303 USER MOD Single : A 69 MET CE :methyl 171:sc= -2.61! (180deg=-2.86!) USER MOD Single : A 71 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 75 ASN : amide:sc= -3.01 K(o=-3,f=-5.4!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0488 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.377 K(o=-0.38,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 288 N PHE A 23 2.710 2.406 -1.687 1.00 0.00 N ATOM 289 CA PHE A 23 2.626 2.544 -0.238 1.00 0.00 C ATOM 290 C PHE A 23 1.328 3.234 0.169 1.00 0.00 C ATOM 291 O PHE A 23 0.779 2.966 1.237 1.00 0.00 O ATOM 292 CB PHE A 23 3.824 3.336 0.291 1.00 0.00 C ATOM 293 CG PHE A 23 5.151 2.719 -0.049 1.00 0.00 C ATOM 294 CD1 PHE A 23 5.352 1.355 0.087 1.00 0.00 C ATOM 295 CD2 PHE A 23 6.199 3.505 -0.504 1.00 0.00 C ATOM 296 CE1 PHE A 23 6.572 0.785 -0.225 1.00 0.00 C ATOM 297 CE2 PHE A 23 7.421 2.940 -0.817 1.00 0.00 C ATOM 298 CZ PHE A 23 7.608 1.579 -0.677 1.00 0.00 C ATOM 0 HA PHE A 23 2.638 1.545 0.197 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.788 4.347 -0.115 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.741 3.424 1.374 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.546 0.730 0.441 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.059 4.570 -0.615 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.715 -0.280 -0.116 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.229 3.563 -1.171 1.00 0.00 H new ATOM 0 HZ PHE A 23 8.562 1.136 -0.920 1.00 0.00 H new ATOM 308 N LEU A 24 0.844 4.125 -0.690 1.00 0.00 N ATOM 309 CA LEU A 24 -0.389 4.856 -0.420 1.00 0.00 C ATOM 310 C LEU A 24 -1.609 3.972 -0.654 1.00 0.00 C ATOM 311 O LEU A 24 -1.626 3.146 -1.566 1.00 0.00 O ATOM 312 CB LEU A 24 -0.471 6.102 -1.304 1.00 0.00 C ATOM 313 CG LEU A 24 0.367 7.290 -0.826 1.00 0.00 C ATOM 314 CD1 LEU A 24 0.431 8.364 -1.901 1.00 0.00 C ATOM 315 CD2 LEU A 24 -0.203 7.858 0.464 1.00 0.00 C ATOM 0 H LEU A 24 1.287 4.358 -1.579 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.379 5.160 0.627 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.154 5.835 -2.312 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.513 6.415 -1.370 1.00 0.00 H new ATOM 0 HG LEU A 24 1.381 6.941 -0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.031 9.201 -1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.885 7.951 -2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.577 8.711 -2.129 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.405 8.702 0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.226 8.192 0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.197 7.087 1.235 1.00 0.00 H new ATOM 327 N ASP A 25 -2.632 4.154 0.175 1.00 0.00 N ATOM 328 CA ASP A 25 -3.859 3.374 0.060 1.00 0.00 C ATOM 329 C ASP A 25 -4.684 3.838 -1.141 1.00 0.00 C ATOM 330 O ASP A 25 -4.701 5.024 -1.470 1.00 0.00 O ATOM 331 CB ASP A 25 -4.683 3.494 1.345 1.00 0.00 C ATOM 332 CG ASP A 25 -4.699 2.207 2.145 1.00 0.00 C ATOM 333 OD1 ASP A 25 -4.730 1.122 1.525 1.00 0.00 O ATOM 334 OD2 ASP A 25 -4.678 2.282 3.391 1.00 0.00 O ATOM 0 H ASP A 25 -2.635 4.835 0.934 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.589 2.329 -0.091 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.276 4.296 1.961 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.706 3.774 1.092 1.00 0.00 H new ATOM 339 N PRO A 26 -5.381 2.905 -1.813 1.00 0.00 N ATOM 340 CA PRO A 26 -6.206 3.226 -2.980 1.00 0.00 C ATOM 341 C PRO A 26 -7.502 3.934 -2.600 1.00 0.00 C ATOM 342 O PRO A 26 -8.049 4.712 -3.382 1.00 0.00 O ATOM 343 CB PRO A 26 -6.504 1.856 -3.587 1.00 0.00 C ATOM 344 CG PRO A 26 -6.453 0.916 -2.433 1.00 0.00 C ATOM 345 CD PRO A 26 -5.417 1.465 -1.490 1.00 0.00 C ATOM 0 HA PRO A 26 -5.700 3.910 -3.661 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.482 1.840 -4.069 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.769 1.591 -4.347 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.425 0.846 -1.945 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.187 -0.089 -2.761 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.692 1.294 -0.449 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.446 0.995 -1.644 1.00 0.00 H new ATOM 353 N ILE A 27 -7.990 3.658 -1.394 1.00 0.00 N ATOM 354 CA ILE A 27 -9.222 4.267 -0.912 1.00 0.00 C ATOM 355 C ILE A 27 -8.936 5.321 0.153 1.00 0.00 C ATOM 356 O ILE A 27 -9.456 6.435 0.095 1.00 0.00 O ATOM 357 CB ILE A 27 -10.181 3.212 -0.328 1.00 0.00 C ATOM 358 CG1 ILE A 27 -10.329 2.037 -1.295 1.00 0.00 C ATOM 359 CG2 ILE A 27 -11.537 3.835 -0.030 1.00 0.00 C ATOM 360 CD1 ILE A 27 -11.045 0.846 -0.692 1.00 0.00 C ATOM 0 H ILE A 27 -7.550 3.017 -0.734 1.00 0.00 H new ATOM 0 HA ILE A 27 -9.695 4.742 -1.772 1.00 0.00 H new ATOM 0 HB ILE A 27 -9.762 2.839 0.607 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.874 2.370 -2.178 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.340 1.725 -1.630 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -12.203 3.077 0.382 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -11.416 4.642 0.692 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.965 4.233 -0.950 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.115 0.050 -1.433 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.489 0.488 0.174 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -12.047 1.142 -0.383 1.00 0.00 H new ATOM 372 N MET A 28 -8.104 4.961 1.125 1.00 0.00 N ATOM 373 CA MET A 28 -7.748 5.875 2.204 1.00 0.00 C ATOM 374 C MET A 28 -6.806 6.967 1.707 1.00 0.00 C ATOM 375 O MET A 28 -6.797 8.080 2.235 1.00 0.00 O ATOM 376 CB MET A 28 -7.095 5.108 3.355 1.00 0.00 C ATOM 377 CG MET A 28 -8.091 4.387 4.249 1.00 0.00 C ATOM 378 SD MET A 28 -8.344 5.225 5.825 1.00 0.00 S ATOM 379 CE MET A 28 -10.011 5.846 5.616 1.00 0.00 C ATOM 0 H MET A 28 -7.664 4.043 1.187 1.00 0.00 H new ATOM 0 HA MET A 28 -8.663 6.347 2.562 1.00 0.00 H new ATOM 0 HB2 MET A 28 -6.395 4.380 2.945 1.00 0.00 H new ATOM 0 HB3 MET A 28 -6.514 5.803 3.960 1.00 0.00 H new ATOM 0 HG2 MET A 28 -9.045 4.303 3.729 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.739 3.372 4.434 1.00 0.00 H new ATOM 0 HE1 MET A 28 -10.312 6.390 6.512 1.00 0.00 H new ATOM 0 HE2 MET A 28 -10.045 6.516 4.757 1.00 0.00 H new ATOM 0 HE3 MET A 28 -10.692 5.011 5.453 1.00 0.00 H new ATOM 389 N SER A 29 -6.015 6.644 0.689 1.00 0.00 N ATOM 390 CA SER A 29 -5.069 7.600 0.122 1.00 0.00 C ATOM 391 C SER A 29 -4.036 8.023 1.161 1.00 0.00 C ATOM 392 O SER A 29 -3.524 9.142 1.122 1.00 0.00 O ATOM 393 CB SER A 29 -5.810 8.829 -0.408 1.00 0.00 C ATOM 394 OG SER A 29 -5.019 9.534 -1.350 1.00 0.00 O ATOM 0 H SER A 29 -6.010 5.728 0.240 1.00 0.00 H new ATOM 0 HA SER A 29 -4.549 7.114 -0.704 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.746 8.521 -0.873 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.068 9.488 0.421 1.00 0.00 H new ATOM 0 HG SER A 29 -4.138 9.720 -0.963 1.00 0.00 H new ATOM 400 N THR A 30 -3.732 7.121 2.089 1.00 0.00 N ATOM 401 CA THR A 30 -2.759 7.401 3.138 1.00 0.00 C ATOM 402 C THR A 30 -1.680 6.324 3.182 1.00 0.00 C ATOM 403 O THR A 30 -1.785 5.300 2.506 1.00 0.00 O ATOM 404 CB THR A 30 -3.455 7.497 4.496 1.00 0.00 C ATOM 405 OG1 THR A 30 -4.270 6.360 4.724 1.00 0.00 O ATOM 406 CG2 THR A 30 -4.331 8.724 4.635 1.00 0.00 C ATOM 0 H THR A 30 -4.146 6.190 2.135 1.00 0.00 H new ATOM 0 HA THR A 30 -2.284 8.356 2.912 1.00 0.00 H new ATOM 0 HB THR A 30 -2.650 7.560 5.228 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.705 6.440 5.598 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.795 8.730 5.621 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.723 9.621 4.514 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.107 8.706 3.870 1.00 0.00 H new ATOM 414 N LEU A 31 -0.646 6.560 3.982 1.00 0.00 N ATOM 415 CA LEU A 31 0.451 5.608 4.114 1.00 0.00 C ATOM 416 C LEU A 31 -0.049 4.277 4.663 1.00 0.00 C ATOM 417 O LEU A 31 -0.690 4.228 5.715 1.00 0.00 O ATOM 418 CB LEU A 31 1.539 6.174 5.029 1.00 0.00 C ATOM 419 CG LEU A 31 2.879 5.438 4.973 1.00 0.00 C ATOM 420 CD1 LEU A 31 3.545 5.645 3.620 1.00 0.00 C ATOM 421 CD2 LEU A 31 3.791 5.909 6.096 1.00 0.00 C ATOM 0 H LEU A 31 -0.544 7.402 4.549 1.00 0.00 H new ATOM 0 HA LEU A 31 0.872 5.437 3.123 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.705 7.219 4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.174 6.156 6.056 1.00 0.00 H new ATOM 0 HG LEU A 31 2.694 4.372 5.104 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.497 5.114 3.598 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.897 5.260 2.833 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.719 6.709 3.459 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.740 5.376 6.042 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.970 6.979 5.995 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.317 5.710 7.057 1.00 0.00 H new ATOM 433 N MET A 32 0.245 3.198 3.946 1.00 0.00 N ATOM 434 CA MET A 32 -0.176 1.866 4.362 1.00 0.00 C ATOM 435 C MET A 32 0.857 1.230 5.288 1.00 0.00 C ATOM 436 O MET A 32 1.982 0.949 4.878 1.00 0.00 O ATOM 437 CB MET A 32 -0.399 0.974 3.139 1.00 0.00 C ATOM 438 CG MET A 32 -1.679 1.287 2.383 1.00 0.00 C ATOM 439 SD MET A 32 -2.028 0.089 1.081 1.00 0.00 S ATOM 440 CE MET A 32 -0.715 0.459 -0.080 1.00 0.00 C ATOM 0 H MET A 32 0.773 3.220 3.074 1.00 0.00 H new ATOM 0 HA MET A 32 -1.114 1.964 4.909 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.448 1.082 2.462 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.421 -0.068 3.459 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.514 1.310 3.084 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.603 2.282 1.945 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.932 -0.014 -1.038 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.643 1.538 -0.216 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.230 0.078 0.307 1.00 0.00 H new ATOM 450 N CYS A 33 0.463 1.005 6.537 1.00 0.00 N ATOM 451 CA CYS A 33 1.354 0.400 7.521 1.00 0.00 C ATOM 452 C CYS A 33 1.256 -1.121 7.477 1.00 0.00 C ATOM 453 O CYS A 33 2.266 -1.821 7.544 1.00 0.00 O ATOM 454 CB CYS A 33 1.016 0.909 8.925 1.00 0.00 C ATOM 455 SG CYS A 33 2.379 1.770 9.744 1.00 0.00 S ATOM 0 H CYS A 33 -0.466 1.232 6.892 1.00 0.00 H new ATOM 0 HA CYS A 33 2.377 0.686 7.277 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.161 1.582 8.860 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.710 0.064 9.543 1.00 0.00 H new ATOM 0 HG CYS A 33 1.997 2.165 10.922 1.00 0.00 H new ATOM 461 N ASP A 34 0.032 -1.627 7.364 1.00 0.00 N ATOM 462 CA ASP A 34 -0.200 -3.065 7.309 1.00 0.00 C ATOM 463 C ASP A 34 -1.112 -3.423 6.137 1.00 0.00 C ATOM 464 O ASP A 34 -2.283 -3.753 6.327 1.00 0.00 O ATOM 465 CB ASP A 34 -0.819 -3.553 8.621 1.00 0.00 C ATOM 466 CG ASP A 34 0.162 -3.504 9.776 1.00 0.00 C ATOM 467 OD1 ASP A 34 0.934 -4.472 9.940 1.00 0.00 O ATOM 468 OD2 ASP A 34 0.158 -2.498 10.516 1.00 0.00 O ATOM 0 H ASP A 34 -0.815 -1.061 7.309 1.00 0.00 H new ATOM 0 HA ASP A 34 0.761 -3.559 7.163 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.688 -2.940 8.860 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.175 -4.575 8.493 1.00 0.00 H new ATOM 473 N PRO A 35 -0.583 -3.359 4.903 1.00 0.00 N ATOM 474 CA PRO A 35 -1.354 -3.676 3.697 1.00 0.00 C ATOM 475 C PRO A 35 -1.688 -5.161 3.594 1.00 0.00 C ATOM 476 O PRO A 35 -0.835 -6.017 3.826 1.00 0.00 O ATOM 477 CB PRO A 35 -0.421 -3.259 2.557 1.00 0.00 C ATOM 478 CG PRO A 35 0.947 -3.342 3.137 1.00 0.00 C ATOM 479 CD PRO A 35 0.805 -2.973 4.587 1.00 0.00 C ATOM 0 HA PRO A 35 -2.317 -3.166 3.686 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.527 -3.920 1.697 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.644 -2.249 2.212 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.357 -4.346 3.028 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.629 -2.662 2.626 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.522 -3.507 5.210 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.973 -1.908 4.749 1.00 0.00 H new ATOM 487 N VAL A 36 -2.935 -5.458 3.244 1.00 0.00 N ATOM 488 CA VAL A 36 -3.384 -6.839 3.110 1.00 0.00 C ATOM 489 C VAL A 36 -3.847 -7.126 1.686 1.00 0.00 C ATOM 490 O VAL A 36 -4.489 -6.289 1.051 1.00 0.00 O ATOM 491 CB VAL A 36 -4.533 -7.154 4.085 1.00 0.00 C ATOM 492 CG1 VAL A 36 -4.038 -7.125 5.523 1.00 0.00 C ATOM 493 CG2 VAL A 36 -5.683 -6.178 3.890 1.00 0.00 C ATOM 0 H VAL A 36 -3.653 -4.761 3.048 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.532 -7.475 3.350 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.899 -8.158 3.872 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.865 -7.350 6.197 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.252 -7.869 5.652 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.642 -6.135 5.752 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.485 -6.417 4.588 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.333 -5.162 4.073 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.056 -6.254 2.869 1.00 0.00 H new ATOM 503 N VAL A 37 -3.516 -8.313 1.189 1.00 0.00 N ATOM 504 CA VAL A 37 -3.897 -8.709 -0.162 1.00 0.00 C ATOM 505 C VAL A 37 -5.304 -9.297 -0.187 1.00 0.00 C ATOM 506 O VAL A 37 -5.601 -10.254 0.527 1.00 0.00 O ATOM 507 CB VAL A 37 -2.913 -9.740 -0.746 1.00 0.00 C ATOM 508 CG1 VAL A 37 -3.190 -9.967 -2.223 1.00 0.00 C ATOM 509 CG2 VAL A 37 -1.476 -9.290 -0.529 1.00 0.00 C ATOM 0 H VAL A 37 -2.985 -9.017 1.701 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.871 -7.807 -0.773 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.056 -10.686 -0.224 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.485 -10.698 -2.617 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.207 -10.339 -2.350 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.078 -9.027 -2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.795 -10.031 -0.948 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.317 -8.331 -1.022 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.285 -9.185 0.539 1.00 0.00 H new ATOM 519 N LEU A 38 -6.166 -8.719 -1.017 1.00 0.00 N ATOM 520 CA LEU A 38 -7.542 -9.187 -1.138 1.00 0.00 C ATOM 521 C LEU A 38 -7.632 -10.352 -2.123 1.00 0.00 C ATOM 522 O LEU A 38 -7.268 -10.214 -3.290 1.00 0.00 O ATOM 523 CB LEU A 38 -8.451 -8.045 -1.599 1.00 0.00 C ATOM 524 CG LEU A 38 -8.453 -6.813 -0.694 1.00 0.00 C ATOM 525 CD1 LEU A 38 -8.988 -5.602 -1.443 1.00 0.00 C ATOM 526 CD2 LEU A 38 -9.276 -7.074 0.559 1.00 0.00 C ATOM 0 H LEU A 38 -5.936 -7.926 -1.616 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.872 -9.533 -0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.147 -7.741 -2.600 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.471 -8.422 -1.676 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.426 -6.604 -0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.982 -4.734 -0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.358 -5.403 -2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.008 -5.800 -1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.267 -6.187 1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.303 -7.308 0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.849 -7.914 1.106 1.00 0.00 H new ATOM 538 N PRO A 39 -8.118 -11.523 -1.670 1.00 0.00 N ATOM 539 CA PRO A 39 -8.246 -12.706 -2.527 1.00 0.00 C ATOM 540 C PRO A 39 -9.351 -12.561 -3.571 1.00 0.00 C ATOM 541 O PRO A 39 -9.485 -13.400 -4.463 1.00 0.00 O ATOM 542 CB PRO A 39 -8.590 -13.823 -1.540 1.00 0.00 C ATOM 543 CG PRO A 39 -9.246 -13.128 -0.398 1.00 0.00 C ATOM 544 CD PRO A 39 -8.577 -11.786 -0.292 1.00 0.00 C ATOM 0 HA PRO A 39 -7.338 -12.887 -3.103 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.256 -14.559 -1.991 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.696 -14.357 -1.218 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -10.317 -13.018 -0.571 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.129 -13.697 0.525 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.269 -11.018 0.054 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.745 -11.806 0.412 1.00 0.00 H new ATOM 552 N SER A 40 -10.144 -11.499 -3.458 1.00 0.00 N ATOM 553 CA SER A 40 -11.235 -11.259 -4.395 1.00 0.00 C ATOM 554 C SER A 40 -10.848 -10.214 -5.437 1.00 0.00 C ATOM 555 O SER A 40 -10.616 -10.540 -6.602 1.00 0.00 O ATOM 556 CB SER A 40 -12.489 -10.808 -3.642 1.00 0.00 C ATOM 557 OG SER A 40 -13.430 -11.862 -3.542 1.00 0.00 O ATOM 0 H SER A 40 -10.051 -10.793 -2.728 1.00 0.00 H new ATOM 0 HA SER A 40 -11.445 -12.195 -4.913 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.214 -10.465 -2.644 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.941 -9.960 -4.157 1.00 0.00 H new ATOM 0 HG SER A 40 -14.221 -11.549 -3.055 1.00 0.00 H new ATOM 563 N SER A 41 -10.787 -8.955 -5.013 1.00 0.00 N ATOM 564 CA SER A 41 -10.437 -7.859 -5.910 1.00 0.00 C ATOM 565 C SER A 41 -8.966 -7.917 -6.317 1.00 0.00 C ATOM 566 O SER A 41 -8.563 -7.290 -7.298 1.00 0.00 O ATOM 567 CB SER A 41 -10.739 -6.514 -5.246 1.00 0.00 C ATOM 568 OG SER A 41 -9.711 -6.150 -4.341 1.00 0.00 O ATOM 0 H SER A 41 -10.976 -8.669 -4.052 1.00 0.00 H new ATOM 0 HA SER A 41 -11.042 -7.962 -6.811 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.845 -5.744 -6.010 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.690 -6.572 -4.717 1.00 0.00 H new ATOM 0 HG SER A 41 -9.675 -5.174 -4.263 1.00 0.00 H new ATOM 574 N ARG A 42 -8.165 -8.664 -5.562 1.00 0.00 N ATOM 575 CA ARG A 42 -6.740 -8.791 -5.854 1.00 0.00 C ATOM 576 C ARG A 42 -6.043 -7.438 -5.752 1.00 0.00 C ATOM 577 O ARG A 42 -5.064 -7.178 -6.452 1.00 0.00 O ATOM 578 CB ARG A 42 -6.532 -9.380 -7.252 1.00 0.00 C ATOM 579 CG ARG A 42 -6.524 -10.900 -7.276 1.00 0.00 C ATOM 580 CD ARG A 42 -7.844 -11.457 -7.784 1.00 0.00 C ATOM 581 NE ARG A 42 -8.202 -12.708 -7.120 1.00 0.00 N ATOM 582 CZ ARG A 42 -7.680 -13.890 -7.436 1.00 0.00 C ATOM 583 NH1 ARG A 42 -6.776 -13.987 -8.403 1.00 0.00 N ATOM 584 NH2 ARG A 42 -8.061 -14.980 -6.782 1.00 0.00 N ATOM 0 H ARG A 42 -8.477 -9.189 -4.745 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.303 -9.464 -5.116 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.322 -9.019 -7.911 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.588 -9.013 -7.655 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.711 -11.250 -7.912 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.330 -11.280 -6.273 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.633 -10.723 -7.623 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.778 -11.623 -8.859 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.893 -12.673 -6.370 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.478 -13.152 -8.908 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.379 -14.896 -8.641 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.754 -14.912 -6.037 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.661 -15.886 -7.024 1.00 0.00 H new ATOM 598 N VAL A 43 -6.554 -6.581 -4.874 1.00 0.00 N ATOM 599 CA VAL A 43 -5.980 -5.254 -4.679 1.00 0.00 C ATOM 600 C VAL A 43 -5.298 -5.146 -3.320 1.00 0.00 C ATOM 601 O VAL A 43 -5.589 -5.918 -2.406 1.00 0.00 O ATOM 602 CB VAL A 43 -7.052 -4.155 -4.792 1.00 0.00 C ATOM 603 CG1 VAL A 43 -6.411 -2.777 -4.774 1.00 0.00 C ATOM 604 CG2 VAL A 43 -7.881 -4.347 -6.054 1.00 0.00 C ATOM 0 H VAL A 43 -7.364 -6.781 -4.287 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.241 -5.110 -5.467 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.716 -4.232 -3.931 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.186 -2.014 -4.855 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.865 -2.642 -3.840 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.722 -2.685 -5.614 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.634 -3.561 -6.118 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.231 -4.298 -6.927 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.373 -5.319 -6.022 1.00 0.00 H new ATOM 614 N THR A 44 -4.391 -4.184 -3.192 1.00 0.00 N ATOM 615 CA THR A 44 -3.667 -3.977 -1.942 1.00 0.00 C ATOM 616 C THR A 44 -4.315 -2.872 -1.114 1.00 0.00 C ATOM 617 O THR A 44 -4.442 -1.735 -1.568 1.00 0.00 O ATOM 618 CB THR A 44 -2.206 -3.628 -2.226 1.00 0.00 C ATOM 619 OG1 THR A 44 -1.801 -4.147 -3.480 1.00 0.00 O ATOM 620 CG2 THR A 44 -1.251 -4.159 -1.179 1.00 0.00 C ATOM 0 H THR A 44 -4.139 -3.535 -3.938 1.00 0.00 H new ATOM 0 HA THR A 44 -3.707 -4.904 -1.371 1.00 0.00 H new ATOM 0 HB THR A 44 -2.161 -2.539 -2.217 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.864 -3.912 -3.644 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.231 -3.877 -1.440 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.506 -3.738 -0.207 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.327 -5.245 -1.135 1.00 0.00 H new ATOM 628 N VAL A 45 -4.721 -3.214 0.104 1.00 0.00 N ATOM 629 CA VAL A 45 -5.354 -2.251 0.998 1.00 0.00 C ATOM 630 C VAL A 45 -5.024 -2.559 2.454 1.00 0.00 C ATOM 631 O VAL A 45 -4.878 -3.719 2.837 1.00 0.00 O ATOM 632 CB VAL A 45 -6.884 -2.239 0.821 1.00 0.00 C ATOM 633 CG1 VAL A 45 -7.256 -1.783 -0.581 1.00 0.00 C ATOM 634 CG2 VAL A 45 -7.468 -3.612 1.115 1.00 0.00 C ATOM 0 H VAL A 45 -4.623 -4.151 0.495 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.960 -1.269 0.737 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.307 -1.530 1.533 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.341 -1.781 -0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.873 -0.777 -0.750 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.821 -2.464 -1.313 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.550 -3.583 0.984 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.039 -4.344 0.430 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.234 -3.895 2.141 1.00 0.00 H new ATOM 644 N ASP A 46 -4.908 -1.511 3.264 1.00 0.00 N ATOM 645 CA ASP A 46 -4.594 -1.670 4.680 1.00 0.00 C ATOM 646 C ASP A 46 -5.618 -2.567 5.369 1.00 0.00 C ATOM 647 O ASP A 46 -6.804 -2.541 5.037 1.00 0.00 O ATOM 648 CB ASP A 46 -4.546 -0.303 5.369 1.00 0.00 C ATOM 649 CG ASP A 46 -3.145 0.076 5.805 1.00 0.00 C ATOM 650 OD1 ASP A 46 -2.192 -0.197 5.045 1.00 0.00 O ATOM 651 OD2 ASP A 46 -2.999 0.646 6.907 1.00 0.00 O ATOM 0 H ASP A 46 -5.027 -0.543 2.964 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.615 -2.143 4.759 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -4.930 0.457 4.689 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.203 -0.314 6.238 1.00 0.00 H new ATOM 656 N ARG A 47 -5.153 -3.359 6.329 1.00 0.00 N ATOM 657 CA ARG A 47 -6.028 -4.264 7.066 1.00 0.00 C ATOM 658 C ARG A 47 -7.149 -3.495 7.758 1.00 0.00 C ATOM 659 O ARG A 47 -8.252 -4.010 7.933 1.00 0.00 O ATOM 660 CB ARG A 47 -5.223 -5.054 8.100 1.00 0.00 C ATOM 661 CG ARG A 47 -6.003 -6.194 8.736 1.00 0.00 C ATOM 662 CD ARG A 47 -5.295 -6.731 9.969 1.00 0.00 C ATOM 663 NE ARG A 47 -4.121 -7.528 9.624 1.00 0.00 N ATOM 664 CZ ARG A 47 -3.140 -7.812 10.477 1.00 0.00 C ATOM 665 NH1 ARG A 47 -3.187 -7.365 11.727 1.00 0.00 N ATOM 666 NH2 ARG A 47 -2.108 -8.544 10.081 1.00 0.00 N ATOM 0 H ARG A 47 -4.175 -3.393 6.615 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.474 -4.958 6.354 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.330 -5.458 7.622 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.886 -4.374 8.883 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.000 -5.847 9.009 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.133 -6.997 8.011 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.994 -5.899 10.605 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.989 -7.340 10.549 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.049 -7.888 8.673 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.978 -6.801 12.037 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.432 -7.586 12.376 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.066 -8.890 9.122 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.356 -8.762 10.735 1.00 0.00 H new ATOM 680 N SER A 48 -6.857 -2.257 8.147 1.00 0.00 N ATOM 681 CA SER A 48 -7.841 -1.416 8.817 1.00 0.00 C ATOM 682 C SER A 48 -8.797 -0.788 7.808 1.00 0.00 C ATOM 683 O SER A 48 -9.977 -0.587 8.098 1.00 0.00 O ATOM 684 CB SER A 48 -7.140 -0.320 9.624 1.00 0.00 C ATOM 685 OG SER A 48 -6.618 0.685 8.772 1.00 0.00 O ATOM 0 H SER A 48 -5.948 -1.815 8.009 1.00 0.00 H new ATOM 0 HA SER A 48 -8.419 -2.044 9.495 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.844 0.125 10.328 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.334 -0.757 10.213 1.00 0.00 H new ATOM 0 HG SER A 48 -6.177 1.374 9.311 1.00 0.00 H new ATOM 691 N THR A 49 -8.282 -0.480 6.623 1.00 0.00 N ATOM 692 CA THR A 49 -9.089 0.125 5.571 1.00 0.00 C ATOM 693 C THR A 49 -10.198 -0.822 5.125 1.00 0.00 C ATOM 694 O THR A 49 -11.318 -0.395 4.845 1.00 0.00 O ATOM 695 CB THR A 49 -8.212 0.503 4.377 1.00 0.00 C ATOM 696 OG1 THR A 49 -7.027 1.148 4.809 1.00 0.00 O ATOM 697 CG2 THR A 49 -8.903 1.423 3.394 1.00 0.00 C ATOM 0 H THR A 49 -7.308 -0.640 6.367 1.00 0.00 H new ATOM 0 HA THR A 49 -9.547 1.028 5.974 1.00 0.00 H new ATOM 0 HB THR A 49 -7.989 -0.438 3.874 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.204 1.634 5.642 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.225 1.652 2.572 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.795 0.934 3.004 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.187 2.347 3.898 1.00 0.00 H new ATOM 705 N ILE A 50 -9.878 -2.108 5.060 1.00 0.00 N ATOM 706 CA ILE A 50 -10.845 -3.118 4.649 1.00 0.00 C ATOM 707 C ILE A 50 -11.807 -3.445 5.785 1.00 0.00 C ATOM 708 O ILE A 50 -12.995 -3.675 5.558 1.00 0.00 O ATOM 709 CB ILE A 50 -10.146 -4.411 4.183 1.00 0.00 C ATOM 710 CG1 ILE A 50 -11.173 -5.414 3.654 1.00 0.00 C ATOM 711 CG2 ILE A 50 -9.338 -5.020 5.320 1.00 0.00 C ATOM 712 CD1 ILE A 50 -11.996 -4.886 2.500 1.00 0.00 C ATOM 0 H ILE A 50 -8.955 -2.477 5.287 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.406 -2.702 3.812 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.462 -4.161 3.372 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.655 -6.318 3.336 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.842 -5.699 4.466 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.852 -5.932 4.973 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.581 -4.308 5.651 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -10.001 -5.257 6.152 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.702 -5.651 2.177 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.543 -3.999 2.819 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -11.337 -4.628 1.671 1.00 0.00 H new ATOM 724 N ALA A 51 -11.288 -3.465 7.009 1.00 0.00 N ATOM 725 CA ALA A 51 -12.102 -3.763 8.182 1.00 0.00 C ATOM 726 C ALA A 51 -13.301 -2.826 8.271 1.00 0.00 C ATOM 727 O ALA A 51 -14.418 -3.257 8.558 1.00 0.00 O ATOM 728 CB ALA A 51 -11.260 -3.668 9.446 1.00 0.00 C ATOM 0 H ALA A 51 -10.306 -3.278 7.214 1.00 0.00 H new ATOM 0 HA ALA A 51 -12.477 -4.782 8.084 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -11.880 -3.893 10.314 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.439 -4.383 9.391 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -10.857 -2.660 9.540 1.00 0.00 H new ATOM 734 N ARG A 52 -13.064 -1.543 8.018 1.00 0.00 N ATOM 735 CA ARG A 52 -14.127 -0.546 8.065 1.00 0.00 C ATOM 736 C ARG A 52 -15.217 -0.875 7.051 1.00 0.00 C ATOM 737 O ARG A 52 -16.399 -0.626 7.290 1.00 0.00 O ATOM 738 CB ARG A 52 -13.563 0.849 7.793 1.00 0.00 C ATOM 739 CG ARG A 52 -14.559 1.969 8.044 1.00 0.00 C ATOM 740 CD ARG A 52 -15.364 2.288 6.794 1.00 0.00 C ATOM 741 NE ARG A 52 -15.857 3.663 6.797 1.00 0.00 N ATOM 742 CZ ARG A 52 -16.814 4.107 7.608 1.00 0.00 C ATOM 743 NH1 ARG A 52 -17.385 3.287 8.482 1.00 0.00 N ATOM 744 NH2 ARG A 52 -17.203 5.373 7.545 1.00 0.00 N ATOM 0 H ARG A 52 -12.146 -1.169 7.778 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.564 -0.561 9.064 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.687 1.006 8.422 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.226 0.900 6.758 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -15.235 1.683 8.850 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.029 2.862 8.374 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -14.744 2.127 5.912 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -16.207 1.601 6.720 1.00 0.00 H new ATOM 0 HE ARG A 52 -15.443 4.322 6.138 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -17.091 2.312 8.534 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -18.118 3.632 9.102 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.769 6.007 6.875 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -17.937 5.713 8.167 1.00 0.00 H new ATOM 758 N HIS A 53 -14.810 -1.440 5.919 1.00 0.00 N ATOM 759 CA HIS A 53 -15.748 -1.810 4.865 1.00 0.00 C ATOM 760 C HIS A 53 -16.484 -3.098 5.222 1.00 0.00 C ATOM 761 O HIS A 53 -17.579 -3.356 4.722 1.00 0.00 O ATOM 762 CB HIS A 53 -15.011 -1.984 3.537 1.00 0.00 C ATOM 763 CG HIS A 53 -15.923 -2.064 2.353 1.00 0.00 C ATOM 764 ND1 HIS A 53 -16.823 -1.081 2.009 1.00 0.00 N ATOM 765 CD2 HIS A 53 -16.063 -3.042 1.422 1.00 0.00 C ATOM 766 CE1 HIS A 53 -17.469 -1.483 0.906 1.00 0.00 C ATOM 767 NE2 HIS A 53 -17.044 -2.667 0.508 1.00 0.00 N ATOM 0 H HIS A 53 -13.835 -1.652 5.708 1.00 0.00 H new ATOM 0 HA HIS A 53 -16.480 -1.008 4.765 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -14.324 -1.149 3.400 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -14.407 -2.890 3.582 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -16.972 -0.203 2.506 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -15.502 -3.965 1.395 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -18.238 -0.912 0.407 1.00 0.00 H new ATOM 775 N LEU A 54 -15.878 -3.903 6.089 1.00 0.00 N ATOM 776 CA LEU A 54 -16.476 -5.164 6.512 1.00 0.00 C ATOM 777 C LEU A 54 -17.263 -4.992 7.809 1.00 0.00 C ATOM 778 O LEU A 54 -17.406 -5.935 8.588 1.00 0.00 O ATOM 779 CB LEU A 54 -15.392 -6.228 6.698 1.00 0.00 C ATOM 780 CG LEU A 54 -14.530 -6.499 5.464 1.00 0.00 C ATOM 781 CD1 LEU A 54 -13.433 -7.501 5.790 1.00 0.00 C ATOM 782 CD2 LEU A 54 -15.390 -7.002 4.315 1.00 0.00 C ATOM 0 H LEU A 54 -14.972 -3.704 6.513 1.00 0.00 H new ATOM 0 HA LEU A 54 -17.166 -5.487 5.733 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -14.741 -5.922 7.517 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.868 -7.160 7.001 1.00 0.00 H new ATOM 0 HG LEU A 54 -14.060 -5.564 5.158 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.829 -7.682 4.901 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.800 -7.103 6.583 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.882 -8.438 6.120 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.761 -7.190 3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -15.887 -7.926 4.610 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -16.139 -6.251 4.066 1.00 0.00 H new ATOM 794 N LEU A 55 -17.773 -3.785 8.036 1.00 0.00 N ATOM 795 CA LEU A 55 -18.545 -3.497 9.239 1.00 0.00 C ATOM 796 C LEU A 55 -20.034 -3.709 8.990 1.00 0.00 C ATOM 797 O LEU A 55 -20.710 -4.397 9.755 1.00 0.00 O ATOM 798 CB LEU A 55 -18.292 -2.059 9.701 1.00 0.00 C ATOM 799 CG LEU A 55 -16.906 -1.803 10.292 1.00 0.00 C ATOM 800 CD1 LEU A 55 -16.727 -0.328 10.614 1.00 0.00 C ATOM 801 CD2 LEU A 55 -16.692 -2.652 11.536 1.00 0.00 C ATOM 0 H LEU A 55 -17.665 -2.992 7.403 1.00 0.00 H new ATOM 0 HA LEU A 55 -18.223 -4.184 10.022 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.438 -1.390 8.853 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -19.042 -1.796 10.447 1.00 0.00 H new ATOM 0 HG LEU A 55 -16.158 -2.085 9.551 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -15.734 -0.165 11.034 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -16.836 0.259 9.702 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -17.482 -0.019 11.337 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.700 -2.457 11.943 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -17.446 -2.401 12.282 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.776 -3.707 11.275 1.00 0.00 H new ATOM 813 N SER A 56 -20.539 -3.114 7.914 1.00 0.00 N ATOM 814 CA SER A 56 -21.949 -3.239 7.562 1.00 0.00 C ATOM 815 C SER A 56 -22.145 -4.293 6.477 1.00 0.00 C ATOM 816 O SER A 56 -23.176 -4.964 6.428 1.00 0.00 O ATOM 817 CB SER A 56 -22.498 -1.892 7.086 1.00 0.00 C ATOM 818 OG SER A 56 -22.352 -0.899 8.086 1.00 0.00 O ATOM 0 H SER A 56 -19.993 -2.541 7.271 1.00 0.00 H new ATOM 0 HA SER A 56 -22.495 -3.552 8.452 1.00 0.00 H new ATOM 0 HB2 SER A 56 -21.974 -1.582 6.182 1.00 0.00 H new ATOM 0 HB3 SER A 56 -23.551 -1.997 6.824 1.00 0.00 H new ATOM 0 HG SER A 56 -22.709 -0.048 7.756 1.00 0.00 H new ATOM 824 N ASP A 57 -21.147 -4.435 5.611 1.00 0.00 N ATOM 825 CA ASP A 57 -21.207 -5.408 4.526 1.00 0.00 C ATOM 826 C ASP A 57 -19.867 -6.118 4.361 1.00 0.00 C ATOM 827 O ASP A 57 -18.907 -5.543 3.848 1.00 0.00 O ATOM 828 CB ASP A 57 -21.599 -4.722 3.217 1.00 0.00 C ATOM 829 CG ASP A 57 -23.015 -4.182 3.249 1.00 0.00 C ATOM 830 OD1 ASP A 57 -23.890 -4.844 3.844 1.00 0.00 O ATOM 831 OD2 ASP A 57 -23.248 -3.095 2.678 1.00 0.00 O ATOM 0 H ASP A 57 -20.286 -3.888 5.639 1.00 0.00 H new ATOM 0 HA ASP A 57 -21.964 -6.151 4.778 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -20.906 -3.905 3.016 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -21.502 -5.431 2.395 1.00 0.00 H new ATOM 836 N GLN A 58 -19.809 -7.373 4.798 1.00 0.00 N ATOM 837 CA GLN A 58 -18.587 -8.161 4.699 1.00 0.00 C ATOM 838 C GLN A 58 -18.298 -8.540 3.250 1.00 0.00 C ATOM 839 O GLN A 58 -18.499 -9.683 2.844 1.00 0.00 O ATOM 840 CB GLN A 58 -18.697 -9.423 5.557 1.00 0.00 C ATOM 841 CG GLN A 58 -18.218 -9.229 6.988 1.00 0.00 C ATOM 842 CD GLN A 58 -19.265 -9.618 8.012 1.00 0.00 C ATOM 843 OE1 GLN A 58 -19.269 -10.741 8.517 1.00 0.00 O ATOM 844 NE2 GLN A 58 -20.161 -8.689 8.326 1.00 0.00 N ATOM 0 H GLN A 58 -20.595 -7.865 5.224 1.00 0.00 H new ATOM 0 HA GLN A 58 -17.762 -7.551 5.067 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -19.736 -9.753 5.572 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -18.116 -10.220 5.093 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -17.319 -9.823 7.150 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -17.941 -8.185 7.136 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -20.121 -7.771 7.883 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -20.889 -8.894 9.010 1.00 0.00 H new ATOM 853 N THR A 59 -17.824 -7.570 2.474 1.00 0.00 N ATOM 854 CA THR A 59 -17.506 -7.801 1.070 1.00 0.00 C ATOM 855 C THR A 59 -16.326 -6.939 0.632 1.00 0.00 C ATOM 856 O THR A 59 -15.758 -6.196 1.432 1.00 0.00 O ATOM 857 CB THR A 59 -18.724 -7.501 0.194 1.00 0.00 C ATOM 858 OG1 THR A 59 -19.369 -6.314 0.620 1.00 0.00 O ATOM 859 CG2 THR A 59 -19.753 -8.611 0.201 1.00 0.00 C ATOM 0 H THR A 59 -17.652 -6.617 2.794 1.00 0.00 H new ATOM 0 HA THR A 59 -17.232 -8.849 0.952 1.00 0.00 H new ATOM 0 HB THR A 59 -18.333 -7.396 -0.818 1.00 0.00 H new ATOM 0 HG1 THR A 59 -20.144 -6.139 0.046 1.00 0.00 H new ATOM 0 HG21 THR A 59 -20.591 -8.335 -0.440 1.00 0.00 H new ATOM 0 HG22 THR A 59 -19.300 -9.530 -0.171 1.00 0.00 H new ATOM 0 HG23 THR A 59 -20.111 -8.769 1.218 1.00 0.00 H new ATOM 867 N ASP A 60 -15.962 -7.045 -0.642 1.00 0.00 N ATOM 868 CA ASP A 60 -14.848 -6.275 -1.184 1.00 0.00 C ATOM 869 C ASP A 60 -15.332 -4.930 -1.728 1.00 0.00 C ATOM 870 O ASP A 60 -16.329 -4.868 -2.446 1.00 0.00 O ATOM 871 CB ASP A 60 -14.146 -7.067 -2.290 1.00 0.00 C ATOM 872 CG ASP A 60 -12.639 -7.062 -2.138 1.00 0.00 C ATOM 873 OD1 ASP A 60 -12.019 -6.010 -2.400 1.00 0.00 O ATOM 874 OD2 ASP A 60 -12.077 -8.110 -1.757 1.00 0.00 O ATOM 0 H ASP A 60 -16.421 -7.656 -1.318 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.139 -6.086 -0.378 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.506 -8.096 -2.280 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.412 -6.645 -3.259 1.00 0.00 H new ATOM 879 N PRO A 61 -14.633 -3.832 -1.391 1.00 0.00 N ATOM 880 CA PRO A 61 -15.005 -2.490 -1.855 1.00 0.00 C ATOM 881 C PRO A 61 -14.883 -2.339 -3.368 1.00 0.00 C ATOM 882 O PRO A 61 -15.463 -1.427 -3.958 1.00 0.00 O ATOM 883 CB PRO A 61 -14.007 -1.570 -1.144 1.00 0.00 C ATOM 884 CG PRO A 61 -12.852 -2.445 -0.802 1.00 0.00 C ATOM 885 CD PRO A 61 -13.430 -3.807 -0.539 1.00 0.00 C ATOM 0 HA PRO A 61 -16.047 -2.263 -1.631 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.701 -0.746 -1.789 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -14.446 -1.128 -0.249 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -12.131 -2.478 -1.619 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.323 -2.069 0.074 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.731 -4.600 -0.806 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.679 -3.943 0.513 1.00 0.00 H new ATOM 893 N PHE A 62 -14.124 -3.234 -3.994 1.00 0.00 N ATOM 894 CA PHE A 62 -13.929 -3.192 -5.439 1.00 0.00 C ATOM 895 C PHE A 62 -14.648 -4.353 -6.122 1.00 0.00 C ATOM 896 O PHE A 62 -15.399 -4.153 -7.077 1.00 0.00 O ATOM 897 CB PHE A 62 -12.436 -3.234 -5.775 1.00 0.00 C ATOM 898 CG PHE A 62 -11.596 -2.345 -4.902 1.00 0.00 C ATOM 899 CD1 PHE A 62 -11.502 -0.987 -5.159 1.00 0.00 C ATOM 900 CD2 PHE A 62 -10.902 -2.870 -3.824 1.00 0.00 C ATOM 901 CE1 PHE A 62 -10.730 -0.168 -4.357 1.00 0.00 C ATOM 902 CE2 PHE A 62 -10.128 -2.055 -3.018 1.00 0.00 C ATOM 903 CZ PHE A 62 -10.042 -0.703 -3.286 1.00 0.00 C ATOM 0 H PHE A 62 -13.635 -3.996 -3.524 1.00 0.00 H new ATOM 0 HA PHE A 62 -14.353 -2.258 -5.809 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -12.080 -4.260 -5.683 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.298 -2.941 -6.816 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -12.038 -0.564 -5.996 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -10.966 -3.927 -3.611 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -10.665 0.889 -4.568 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -9.592 -2.475 -2.180 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.437 -0.065 -2.659 1.00 0.00 H new ATOM 913 N ASN A 63 -14.408 -5.563 -5.629 1.00 0.00 N ATOM 914 CA ASN A 63 -15.029 -6.756 -6.195 1.00 0.00 C ATOM 915 C ASN A 63 -16.487 -6.876 -5.761 1.00 0.00 C ATOM 916 O ASN A 63 -17.318 -7.418 -6.491 1.00 0.00 O ATOM 917 CB ASN A 63 -14.255 -8.007 -5.774 1.00 0.00 C ATOM 918 CG ASN A 63 -14.348 -9.117 -6.802 1.00 0.00 C ATOM 919 OD1 ASN A 63 -15.238 -9.965 -6.739 1.00 0.00 O ATOM 920 ND2 ASN A 63 -13.425 -9.118 -7.757 1.00 0.00 N ATOM 0 H ASN A 63 -13.788 -5.744 -4.839 1.00 0.00 H new ATOM 0 HA ASN A 63 -15.001 -6.666 -7.281 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.208 -7.748 -5.617 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.641 -8.366 -4.820 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -13.436 -9.841 -8.476 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -12.705 -8.396 -7.771 1.00 0.00 H new ATOM 927 N ARG A 64 -16.793 -6.371 -4.571 1.00 0.00 N ATOM 928 CA ARG A 64 -18.152 -6.426 -4.043 1.00 0.00 C ATOM 929 C ARG A 64 -18.601 -7.871 -3.852 1.00 0.00 C ATOM 930 O ARG A 64 -19.777 -8.193 -4.019 1.00 0.00 O ATOM 931 CB ARG A 64 -19.116 -5.695 -4.981 1.00 0.00 C ATOM 932 CG ARG A 64 -19.927 -4.609 -4.292 1.00 0.00 C ATOM 933 CD ARG A 64 -19.221 -3.264 -4.351 1.00 0.00 C ATOM 934 NE ARG A 64 -19.060 -2.789 -5.723 1.00 0.00 N ATOM 935 CZ ARG A 64 -18.781 -1.528 -6.043 1.00 0.00 C ATOM 936 NH1 ARG A 64 -18.631 -0.612 -5.094 1.00 0.00 N ATOM 937 NH2 ARG A 64 -18.651 -1.180 -7.316 1.00 0.00 N ATOM 0 H ARG A 64 -16.119 -5.919 -3.953 1.00 0.00 H new ATOM 0 HA ARG A 64 -18.160 -5.932 -3.072 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -18.548 -5.250 -5.798 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -19.798 -6.420 -5.425 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -20.905 -4.529 -4.766 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -20.098 -4.886 -3.252 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -19.789 -2.531 -3.778 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -18.242 -3.348 -3.879 1.00 0.00 H new ATOM 0 HE ARG A 64 -19.168 -3.464 -6.480 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -18.730 -0.873 -4.113 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -18.417 0.353 -5.346 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -18.765 -1.879 -8.050 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -18.437 -0.213 -7.561 1.00 0.00 H new ATOM 951 N SER A 65 -17.656 -8.736 -3.498 1.00 0.00 N ATOM 952 CA SER A 65 -17.954 -10.147 -3.281 1.00 0.00 C ATOM 953 C SER A 65 -17.661 -10.548 -1.837 1.00 0.00 C ATOM 954 O SER A 65 -17.094 -9.770 -1.071 1.00 0.00 O ATOM 955 CB SER A 65 -17.135 -11.015 -4.242 1.00 0.00 C ATOM 956 OG SER A 65 -17.957 -11.966 -4.896 1.00 0.00 O ATOM 0 H SER A 65 -16.678 -8.485 -3.355 1.00 0.00 H new ATOM 0 HA SER A 65 -19.015 -10.305 -3.474 1.00 0.00 H new ATOM 0 HB2 SER A 65 -16.646 -10.382 -4.982 1.00 0.00 H new ATOM 0 HB3 SER A 65 -16.347 -11.528 -3.691 1.00 0.00 H new ATOM 0 HG SER A 65 -17.411 -12.506 -5.505 1.00 0.00 H new ATOM 962 N PRO A 66 -18.047 -11.775 -1.445 1.00 0.00 N ATOM 963 CA PRO A 66 -17.824 -12.276 -0.084 1.00 0.00 C ATOM 964 C PRO A 66 -16.370 -12.130 0.355 1.00 0.00 C ATOM 965 O PRO A 66 -15.467 -12.702 -0.257 1.00 0.00 O ATOM 966 CB PRO A 66 -18.209 -13.753 -0.181 1.00 0.00 C ATOM 967 CG PRO A 66 -19.172 -13.820 -1.315 1.00 0.00 C ATOM 968 CD PRO A 66 -18.731 -12.769 -2.295 1.00 0.00 C ATOM 0 HA PRO A 66 -18.401 -11.720 0.655 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -17.336 -14.378 -0.366 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -18.663 -14.105 0.745 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -19.166 -14.809 -1.774 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -20.190 -13.633 -0.974 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -18.062 -13.180 -3.051 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -19.578 -12.331 -2.823 1.00 0.00 H new ATOM 976 N LEU A 67 -16.151 -11.363 1.416 1.00 0.00 N ATOM 977 CA LEU A 67 -14.807 -11.143 1.938 1.00 0.00 C ATOM 978 C LEU A 67 -14.834 -10.949 3.450 1.00 0.00 C ATOM 979 O LEU A 67 -15.808 -10.435 4.002 1.00 0.00 O ATOM 980 CB LEU A 67 -14.170 -9.924 1.267 1.00 0.00 C ATOM 981 CG LEU A 67 -12.724 -9.639 1.677 1.00 0.00 C ATOM 982 CD1 LEU A 67 -11.765 -10.520 0.893 1.00 0.00 C ATOM 983 CD2 LEU A 67 -12.392 -8.169 1.470 1.00 0.00 C ATOM 0 H LEU A 67 -16.887 -10.882 1.933 1.00 0.00 H new ATOM 0 HA LEU A 67 -14.209 -12.027 1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -14.204 -10.064 0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.775 -9.046 1.494 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.613 -9.870 2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.741 -10.304 1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.989 -11.568 1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.876 -10.321 -0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.360 -7.984 1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.519 -7.912 0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -13.059 -7.556 2.076 1.00 0.00 H new ATOM 995 N THR A 68 -13.761 -11.364 4.115 1.00 0.00 N ATOM 996 CA THR A 68 -13.662 -11.235 5.564 1.00 0.00 C ATOM 997 C THR A 68 -12.221 -10.980 5.992 1.00 0.00 C ATOM 998 O THR A 68 -11.307 -10.992 5.168 1.00 0.00 O ATOM 999 CB THR A 68 -14.193 -12.497 6.247 1.00 0.00 C ATOM 1000 OG1 THR A 68 -13.709 -13.659 5.598 1.00 0.00 O ATOM 1001 CG2 THR A 68 -15.704 -12.579 6.265 1.00 0.00 C ATOM 0 H THR A 68 -12.948 -11.793 3.673 1.00 0.00 H new ATOM 0 HA THR A 68 -14.268 -10.382 5.869 1.00 0.00 H new ATOM 0 HB THR A 68 -13.836 -12.440 7.275 1.00 0.00 H new ATOM 0 HG1 THR A 68 -14.058 -14.455 6.050 1.00 0.00 H new ATOM 0 HG21 THR A 68 -16.013 -13.498 6.764 1.00 0.00 H new ATOM 0 HG22 THR A 68 -16.109 -11.721 6.802 1.00 0.00 H new ATOM 0 HG23 THR A 68 -16.081 -12.577 5.242 1.00 0.00 H new ATOM 1009 N MET A 69 -12.025 -10.749 7.286 1.00 0.00 N ATOM 1010 CA MET A 69 -10.695 -10.491 7.824 1.00 0.00 C ATOM 1011 C MET A 69 -9.848 -11.761 7.831 1.00 0.00 C ATOM 1012 O MET A 69 -8.619 -11.698 7.847 1.00 0.00 O ATOM 1013 CB MET A 69 -10.796 -9.925 9.243 1.00 0.00 C ATOM 1014 CG MET A 69 -9.590 -9.095 9.653 1.00 0.00 C ATOM 1015 SD MET A 69 -9.958 -7.332 9.753 1.00 0.00 S ATOM 1016 CE MET A 69 -10.044 -6.905 8.016 1.00 0.00 C ATOM 0 H MET A 69 -12.771 -10.735 7.982 1.00 0.00 H new ATOM 0 HA MET A 69 -10.210 -9.758 7.179 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.693 -9.310 9.317 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.916 -10.749 9.946 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.228 -9.442 10.621 1.00 0.00 H new ATOM 0 HG3 MET A 69 -8.785 -9.254 8.936 1.00 0.00 H new ATOM 0 HE1 MET A 69 -10.420 -5.888 7.910 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.049 -6.972 7.575 1.00 0.00 H new ATOM 0 HE3 MET A 69 -10.715 -7.595 7.504 1.00 0.00 H new ATOM 1026 N ASP A 70 -10.512 -12.914 7.824 1.00 0.00 N ATOM 1027 CA ASP A 70 -9.816 -14.196 7.832 1.00 0.00 C ATOM 1028 C ASP A 70 -9.339 -14.570 6.431 1.00 0.00 C ATOM 1029 O ASP A 70 -8.332 -15.260 6.273 1.00 0.00 O ATOM 1030 CB ASP A 70 -10.731 -15.290 8.381 1.00 0.00 C ATOM 1031 CG ASP A 70 -12.031 -15.399 7.610 1.00 0.00 C ATOM 1032 OD1 ASP A 70 -11.979 -15.670 6.392 1.00 0.00 O ATOM 1033 OD2 ASP A 70 -13.103 -15.214 8.223 1.00 0.00 O ATOM 0 H ASP A 70 -11.529 -12.986 7.813 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.943 -14.102 8.477 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.210 -16.247 8.346 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.950 -15.085 9.429 1.00 0.00 H new ATOM 1038 N GLN A 71 -10.068 -14.112 5.418 1.00 0.00 N ATOM 1039 CA GLN A 71 -9.717 -14.403 4.033 1.00 0.00 C ATOM 1040 C GLN A 71 -8.537 -13.549 3.578 1.00 0.00 C ATOM 1041 O GLN A 71 -7.654 -14.023 2.863 1.00 0.00 O ATOM 1042 CB GLN A 71 -10.918 -14.161 3.117 1.00 0.00 C ATOM 1043 CG GLN A 71 -11.955 -15.270 3.171 1.00 0.00 C ATOM 1044 CD GLN A 71 -12.714 -15.423 1.868 1.00 0.00 C ATOM 1045 OE1 GLN A 71 -13.068 -14.299 1.254 1.00 0.00 O flip ATOM 1046 NE2 GLN A 71 -12.980 -16.537 1.417 1.00 0.00 N flip ATOM 0 H GLN A 71 -10.904 -13.539 5.530 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.428 -15.452 3.973 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.391 -13.218 3.393 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.566 -14.053 2.091 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.462 -16.212 3.413 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.660 -15.064 3.976 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.689 -17.374 1.922 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.492 -16.623 0.539 1.00 0.00 H new ATOM 1055 N ILE A 72 -8.530 -12.287 3.996 1.00 0.00 N ATOM 1056 CA ILE A 72 -7.458 -11.369 3.629 1.00 0.00 C ATOM 1057 C ILE A 72 -6.158 -11.725 4.343 1.00 0.00 C ATOM 1058 O ILE A 72 -6.171 -12.175 5.488 1.00 0.00 O ATOM 1059 CB ILE A 72 -7.830 -9.910 3.959 1.00 0.00 C ATOM 1060 CG1 ILE A 72 -8.115 -9.757 5.455 1.00 0.00 C ATOM 1061 CG2 ILE A 72 -9.033 -9.472 3.137 1.00 0.00 C ATOM 1062 CD1 ILE A 72 -6.921 -9.280 6.251 1.00 0.00 C ATOM 0 H ILE A 72 -9.253 -11.878 4.588 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.315 -11.465 2.553 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.986 -9.269 3.703 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.936 -9.053 5.590 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.448 -10.716 5.853 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.284 -8.440 3.381 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.795 -9.547 2.076 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.883 -10.115 3.365 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.195 -9.194 7.302 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.105 -9.995 6.146 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.601 -8.307 5.879 1.00 0.00 H new ATOM 1074 N ARG A 73 -5.037 -11.520 3.658 1.00 0.00 N ATOM 1075 CA ARG A 73 -3.728 -11.820 4.227 1.00 0.00 C ATOM 1076 C ARG A 73 -2.813 -10.599 4.165 1.00 0.00 C ATOM 1077 O ARG A 73 -2.935 -9.767 3.266 1.00 0.00 O ATOM 1078 CB ARG A 73 -3.084 -12.993 3.485 1.00 0.00 C ATOM 1079 CG ARG A 73 -4.012 -14.182 3.306 1.00 0.00 C ATOM 1080 CD ARG A 73 -3.331 -15.310 2.547 1.00 0.00 C ATOM 1081 NE ARG A 73 -4.165 -16.508 2.484 1.00 0.00 N ATOM 1082 CZ ARG A 73 -5.181 -16.662 1.638 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -5.491 -15.696 0.781 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -5.888 -17.783 1.648 1.00 0.00 N ATOM 0 H ARG A 73 -5.009 -11.148 2.709 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.868 -12.093 5.273 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.750 -12.653 2.505 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.197 -13.314 4.031 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.336 -14.542 4.282 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.907 -13.869 2.769 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.097 -14.977 1.536 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.384 -15.552 3.030 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.956 -17.272 3.127 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.950 -14.832 0.769 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.270 -15.819 0.135 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.654 -18.528 2.304 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.667 -17.901 1.000 1.00 0.00 H new ATOM 1098 N PRO A 74 -1.881 -10.477 5.125 1.00 0.00 N ATOM 1099 CA PRO A 74 -0.943 -9.351 5.177 1.00 0.00 C ATOM 1100 C PRO A 74 0.120 -9.431 4.085 1.00 0.00 C ATOM 1101 O PRO A 74 0.807 -10.442 3.947 1.00 0.00 O ATOM 1102 CB PRO A 74 -0.302 -9.489 6.558 1.00 0.00 C ATOM 1103 CG PRO A 74 -0.393 -10.943 6.871 1.00 0.00 C ATOM 1104 CD PRO A 74 -1.668 -11.426 6.236 1.00 0.00 C ATOM 0 HA PRO A 74 -1.443 -8.396 5.017 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.734 -9.149 6.550 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.828 -8.890 7.301 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.468 -11.482 6.475 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.406 -11.110 7.948 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.574 -12.451 5.876 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.499 -11.411 6.942 1.00 0.00 H new ATOM 1112 N ASN A 75 0.248 -8.357 3.312 1.00 0.00 N ATOM 1113 CA ASN A 75 1.227 -8.306 2.233 1.00 0.00 C ATOM 1114 C ASN A 75 2.630 -8.070 2.782 1.00 0.00 C ATOM 1115 O ASN A 75 3.041 -6.929 2.992 1.00 0.00 O ATOM 1116 CB ASN A 75 0.863 -7.203 1.238 1.00 0.00 C ATOM 1117 CG ASN A 75 1.161 -7.597 -0.196 1.00 0.00 C ATOM 1118 OD1 ASN A 75 1.333 -8.776 -0.504 1.00 0.00 O ATOM 1119 ND2 ASN A 75 1.221 -6.608 -1.080 1.00 0.00 N ATOM 0 H ASN A 75 -0.314 -7.511 3.413 1.00 0.00 H new ATOM 0 HA ASN A 75 1.215 -9.267 1.719 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.197 -6.966 1.334 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.416 -6.297 1.486 1.00 0.00 H new ATOM 0 HD21 ASN A 75 1.416 -6.811 -2.060 1.00 0.00 H new ATOM 0 HD22 ASN A 75 1.072 -5.645 -0.779 1.00 0.00 H new ATOM 1126 N THR A 76 3.361 -9.156 3.013 1.00 0.00 N ATOM 1127 CA THR A 76 4.718 -9.067 3.538 1.00 0.00 C ATOM 1128 C THR A 76 5.660 -8.450 2.510 1.00 0.00 C ATOM 1129 O THR A 76 6.542 -7.663 2.855 1.00 0.00 O ATOM 1130 CB THR A 76 5.222 -10.453 3.942 1.00 0.00 C ATOM 1131 OG1 THR A 76 4.138 -11.309 4.255 1.00 0.00 O ATOM 1132 CG2 THR A 76 6.148 -10.427 5.139 1.00 0.00 C ATOM 0 H THR A 76 3.036 -10.108 2.845 1.00 0.00 H new ATOM 0 HA THR A 76 4.699 -8.424 4.418 1.00 0.00 H new ATOM 0 HB THR A 76 5.779 -10.821 3.080 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.481 -12.191 4.509 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.469 -11.442 5.373 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.020 -9.814 4.911 1.00 0.00 H new ATOM 0 HG23 THR A 76 5.623 -10.006 5.996 1.00 0.00 H new ATOM 1140 N GLU A 77 5.470 -8.813 1.246 1.00 0.00 N ATOM 1141 CA GLU A 77 6.304 -8.296 0.168 1.00 0.00 C ATOM 1142 C GLU A 77 6.203 -6.776 0.082 1.00 0.00 C ATOM 1143 O GLU A 77 7.164 -6.100 -0.287 1.00 0.00 O ATOM 1144 CB GLU A 77 5.893 -8.923 -1.167 1.00 0.00 C ATOM 1145 CG GLU A 77 6.746 -10.117 -1.566 1.00 0.00 C ATOM 1146 CD GLU A 77 6.469 -10.585 -2.981 1.00 0.00 C ATOM 1147 OE1 GLU A 77 5.903 -9.796 -3.767 1.00 0.00 O ATOM 1148 OE2 GLU A 77 6.817 -11.741 -3.303 1.00 0.00 O ATOM 0 H GLU A 77 4.745 -9.464 0.943 1.00 0.00 H new ATOM 0 HA GLU A 77 7.339 -8.561 0.383 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.851 -9.236 -1.107 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.954 -8.166 -1.949 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.800 -9.853 -1.474 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.562 -10.938 -0.873 1.00 0.00 H new ATOM 1155 N LEU A 78 5.034 -6.244 0.428 1.00 0.00 N ATOM 1156 CA LEU A 78 4.809 -4.804 0.390 1.00 0.00 C ATOM 1157 C LEU A 78 5.222 -4.154 1.706 1.00 0.00 C ATOM 1158 O LEU A 78 5.788 -3.061 1.719 1.00 0.00 O ATOM 1159 CB LEU A 78 3.338 -4.505 0.100 1.00 0.00 C ATOM 1160 CG LEU A 78 3.031 -3.048 -0.252 1.00 0.00 C ATOM 1161 CD1 LEU A 78 3.774 -2.635 -1.513 1.00 0.00 C ATOM 1162 CD2 LEU A 78 1.533 -2.846 -0.424 1.00 0.00 C ATOM 0 H LEU A 78 4.229 -6.789 0.737 1.00 0.00 H new ATOM 0 HA LEU A 78 5.422 -4.386 -0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.010 -5.139 -0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.747 -4.784 0.972 1.00 0.00 H new ATOM 0 HG LEU A 78 3.371 -2.417 0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.543 -1.596 -1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.847 -2.741 -1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.465 -3.271 -2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.333 -1.804 -0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.169 -3.488 -1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.022 -3.101 0.505 1.00 0.00 H new ATOM 1174 N LYS A 79 4.935 -4.834 2.811 1.00 0.00 N ATOM 1175 CA LYS A 79 5.277 -4.322 4.135 1.00 0.00 C ATOM 1176 C LYS A 79 6.781 -4.107 4.264 1.00 0.00 C ATOM 1177 O LYS A 79 7.231 -3.211 4.979 1.00 0.00 O ATOM 1178 CB LYS A 79 4.793 -5.287 5.218 1.00 0.00 C ATOM 1179 CG LYS A 79 4.676 -4.649 6.593 1.00 0.00 C ATOM 1180 CD LYS A 79 4.891 -5.668 7.700 1.00 0.00 C ATOM 1181 CE LYS A 79 5.083 -4.993 9.049 1.00 0.00 C ATOM 1182 NZ LYS A 79 4.400 -5.736 10.144 1.00 0.00 N ATOM 0 H LYS A 79 4.467 -5.740 2.817 1.00 0.00 H new ATOM 0 HA LYS A 79 4.779 -3.361 4.265 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.821 -5.687 4.928 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.481 -6.130 5.275 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.409 -3.848 6.687 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.691 -4.194 6.702 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.035 -6.341 7.747 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.764 -6.278 7.470 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.148 -4.919 9.270 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.695 -3.975 9.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.555 -5.244 11.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.380 -5.785 9.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.787 -6.699 10.204 1.00 0.00 H new ATOM 1196 N GLU A 80 7.554 -4.933 3.568 1.00 0.00 N ATOM 1197 CA GLU A 80 9.008 -4.833 3.605 1.00 0.00 C ATOM 1198 C GLU A 80 9.488 -3.598 2.850 1.00 0.00 C ATOM 1199 O GLU A 80 10.469 -2.964 3.237 1.00 0.00 O ATOM 1200 CB GLU A 80 9.643 -6.090 3.006 1.00 0.00 C ATOM 1201 CG GLU A 80 9.809 -7.222 4.005 1.00 0.00 C ATOM 1202 CD GLU A 80 11.126 -7.956 3.839 1.00 0.00 C ATOM 1203 OE1 GLU A 80 12.164 -7.420 4.280 1.00 0.00 O ATOM 1204 OE2 GLU A 80 11.118 -9.068 3.269 1.00 0.00 O ATOM 0 H GLU A 80 7.198 -5.680 2.971 1.00 0.00 H new ATOM 0 HA GLU A 80 9.314 -4.741 4.647 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.028 -6.437 2.175 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.619 -5.833 2.595 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.745 -6.821 5.017 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.986 -7.928 3.889 1.00 0.00 H new ATOM 1211 N LYS A 81 8.789 -3.262 1.771 1.00 0.00 N ATOM 1212 CA LYS A 81 9.144 -2.102 0.960 1.00 0.00 C ATOM 1213 C LYS A 81 8.851 -0.805 1.707 1.00 0.00 C ATOM 1214 O LYS A 81 9.603 0.165 1.604 1.00 0.00 O ATOM 1215 CB LYS A 81 8.378 -2.126 -0.363 1.00 0.00 C ATOM 1216 CG LYS A 81 8.779 -3.271 -1.279 1.00 0.00 C ATOM 1217 CD LYS A 81 8.050 -3.202 -2.611 1.00 0.00 C ATOM 1218 CE LYS A 81 8.588 -2.078 -3.481 1.00 0.00 C ATOM 1219 NZ LYS A 81 8.303 -2.309 -4.925 1.00 0.00 N ATOM 0 H LYS A 81 7.974 -3.776 1.438 1.00 0.00 H new ATOM 0 HA LYS A 81 10.213 -2.147 0.754 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.311 -2.196 -0.154 1.00 0.00 H new ATOM 0 HB3 LYS A 81 8.539 -1.182 -0.884 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.855 -3.241 -1.450 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.560 -4.221 -0.792 1.00 0.00 H new ATOM 0 HD2 LYS A 81 8.156 -4.152 -3.135 1.00 0.00 H new ATOM 0 HD3 LYS A 81 6.985 -3.051 -2.437 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.143 -1.133 -3.170 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.664 -1.988 -3.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.686 -1.521 -5.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 8.749 -3.198 -5.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 7.275 -2.370 -5.071 1.00 0.00 H new ATOM 1233 N ILE A 82 7.755 -0.794 2.457 1.00 0.00 N ATOM 1234 CA ILE A 82 7.362 0.384 3.221 1.00 0.00 C ATOM 1235 C ILE A 82 8.376 0.688 4.319 1.00 0.00 C ATOM 1236 O ILE A 82 8.617 1.850 4.651 1.00 0.00 O ATOM 1237 CB ILE A 82 5.969 0.204 3.857 1.00 0.00 C ATOM 1238 CG1 ILE A 82 4.954 -0.237 2.799 1.00 0.00 C ATOM 1239 CG2 ILE A 82 5.517 1.495 4.528 1.00 0.00 C ATOM 1240 CD1 ILE A 82 3.928 -1.221 3.319 1.00 0.00 C ATOM 0 H ILE A 82 7.122 -1.588 2.552 1.00 0.00 H new ATOM 0 HA ILE A 82 7.326 1.219 2.521 1.00 0.00 H new ATOM 0 HB ILE A 82 6.034 -0.573 4.619 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.439 0.642 2.412 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.487 -0.688 1.962 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.532 1.349 4.971 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.229 1.769 5.307 1.00 0.00 H new ATOM 0 HG23 ILE A 82 5.467 2.292 3.786 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.242 -1.489 2.516 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.433 -2.117 3.679 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.369 -0.766 4.137 1.00 0.00 H new ATOM 1252 N GLN A 83 8.967 -0.361 4.880 1.00 0.00 N ATOM 1253 CA GLN A 83 9.955 -0.206 5.940 1.00 0.00 C ATOM 1254 C GLN A 83 11.283 0.289 5.377 1.00 0.00 C ATOM 1255 O GLN A 83 11.941 1.144 5.969 1.00 0.00 O ATOM 1256 CB GLN A 83 10.162 -1.532 6.673 1.00 0.00 C ATOM 1257 CG GLN A 83 8.863 -2.239 7.030 1.00 0.00 C ATOM 1258 CD GLN A 83 8.697 -2.439 8.523 1.00 0.00 C ATOM 1259 OE1 GLN A 83 9.665 -2.385 9.280 1.00 0.00 O ATOM 1260 NE2 GLN A 83 7.463 -2.675 8.954 1.00 0.00 N ATOM 0 H GLN A 83 8.779 -1.329 4.618 1.00 0.00 H new ATOM 0 HA GLN A 83 9.580 0.536 6.645 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.766 -2.192 6.050 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.729 -1.349 7.586 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.022 -1.659 6.650 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.833 -3.208 6.532 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.689 -2.711 8.290 1.00 0.00 H new ATOM 0 HE22 GLN A 83 7.289 -2.820 9.949 1.00 0.00 H new ATOM 1269 N ARG A 84 11.671 -0.255 4.229 1.00 0.00 N ATOM 1270 CA ARG A 84 12.921 0.130 3.583 1.00 0.00 C ATOM 1271 C ARG A 84 12.915 1.613 3.227 1.00 0.00 C ATOM 1272 O ARG A 84 13.956 2.272 3.252 1.00 0.00 O ATOM 1273 CB ARG A 84 13.147 -0.708 2.323 1.00 0.00 C ATOM 1274 CG ARG A 84 14.599 -0.758 1.878 1.00 0.00 C ATOM 1275 CD ARG A 84 14.832 0.080 0.630 1.00 0.00 C ATOM 1276 NE ARG A 84 16.250 0.172 0.290 1.00 0.00 N ATOM 1277 CZ ARG A 84 16.958 -0.838 -0.210 1.00 0.00 C ATOM 1278 NH1 ARG A 84 16.387 -2.015 -0.430 1.00 0.00 N ATOM 1279 NH2 ARG A 84 18.243 -0.670 -0.493 1.00 0.00 N ATOM 0 H ARG A 84 11.138 -0.964 3.726 1.00 0.00 H new ATOM 0 HA ARG A 84 13.735 -0.054 4.284 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.796 -1.724 2.505 1.00 0.00 H new ATOM 0 HB3 ARG A 84 12.541 -0.302 1.513 1.00 0.00 H new ATOM 0 HG2 ARG A 84 15.239 -0.398 2.683 1.00 0.00 H new ATOM 0 HG3 ARG A 84 14.884 -1.791 1.681 1.00 0.00 H new ATOM 0 HD2 ARG A 84 14.286 -0.356 -0.207 1.00 0.00 H new ATOM 0 HD3 ARG A 84 14.431 1.081 0.785 1.00 0.00 H new ATOM 0 HE ARG A 84 16.725 1.061 0.445 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.399 -2.151 -0.216 1.00 0.00 H new ATOM 0 HH12 ARG A 84 16.936 -2.784 -0.813 1.00 0.00 H new ATOM 0 HH21 ARG A 84 18.688 0.233 -0.327 1.00 0.00 H new ATOM 0 HH22 ARG A 84 18.786 -1.444 -0.876 1.00 0.00 H new ATOM 1293 N TRP A 85 11.738 2.132 2.894 1.00 0.00 N ATOM 1294 CA TRP A 85 11.598 3.539 2.532 1.00 0.00 C ATOM 1295 C TRP A 85 11.493 4.415 3.776 1.00 0.00 C ATOM 1296 O TRP A 85 12.230 5.390 3.924 1.00 0.00 O ATOM 1297 CB TRP A 85 10.365 3.739 1.648 1.00 0.00 C ATOM 1298 CG TRP A 85 10.180 5.156 1.199 1.00 0.00 C ATOM 1299 CD1 TRP A 85 10.872 5.802 0.215 1.00 0.00 C ATOM 1300 CD2 TRP A 85 9.241 6.104 1.719 1.00 0.00 C ATOM 1301 NE1 TRP A 85 10.420 7.094 0.092 1.00 0.00 N ATOM 1302 CE2 TRP A 85 9.419 7.303 1.004 1.00 0.00 C ATOM 1303 CE3 TRP A 85 8.265 6.055 2.720 1.00 0.00 C ATOM 1304 CZ2 TRP A 85 8.659 8.441 1.257 1.00 0.00 C ATOM 1305 CZ3 TRP A 85 7.512 7.186 2.971 1.00 0.00 C ATOM 1306 CH2 TRP A 85 7.711 8.366 2.242 1.00 0.00 C ATOM 0 H TRP A 85 10.868 1.601 2.867 1.00 0.00 H new ATOM 0 HA TRP A 85 12.488 3.835 1.977 1.00 0.00 H new ATOM 0 HB2 TRP A 85 10.447 3.096 0.772 1.00 0.00 H new ATOM 0 HB3 TRP A 85 9.478 3.420 2.196 1.00 0.00 H new ATOM 0 HD1 TRP A 85 11.659 5.362 -0.379 1.00 0.00 H new ATOM 0 HE1 TRP A 85 10.772 7.785 -0.570 1.00 0.00 H new ATOM 0 HE3 TRP A 85 8.103 5.150 3.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 8.812 9.351 0.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 6.757 7.160 3.743 1.00 0.00 H new ATOM 0 HH2 TRP A 85 7.105 9.233 2.461 1.00 0.00 H new