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 Set 1.1: A 68 THR OG1 : rot -60:sc= 0.308 USER MOD Set 1.2: A 71 GLN : amide:sc= -0.134 X(o=0.17,f=0.58) USER MOD Single : A 28 MET CE :methyl 164:sc= -0.0304 (180deg=-0.535) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -178:sc= -0.9 (180deg=-0.947) 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 -128:sc= 0.308 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0302 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -158:sc= -1.7 USER MOD Single : A 53 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-2.1!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.111 X(o=0.11,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -156:sc= -3.8! (180deg=-5.18!) USER MOD Single : A 75 ASN : amide:sc= -2.31 K(o=-2.3,f=-8.1!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0726 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0561) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 288 N PHE A 23 2.536 2.522 -1.673 1.00 0.00 N ATOM 289 CA PHE A 23 2.413 2.582 -0.220 1.00 0.00 C ATOM 290 C PHE A 23 1.111 3.265 0.187 1.00 0.00 C ATOM 291 O PHE A 23 0.508 2.918 1.203 1.00 0.00 O ATOM 292 CB PHE A 23 3.605 3.326 0.384 1.00 0.00 C ATOM 293 CG PHE A 23 4.928 2.676 0.098 1.00 0.00 C ATOM 294 CD1 PHE A 23 5.080 1.302 0.210 1.00 0.00 C ATOM 295 CD2 PHE A 23 6.022 3.438 -0.283 1.00 0.00 C ATOM 296 CE1 PHE A 23 6.296 0.702 -0.054 1.00 0.00 C ATOM 297 CE2 PHE A 23 7.241 2.843 -0.547 1.00 0.00 C ATOM 298 CZ PHE A 23 7.378 1.474 -0.432 1.00 0.00 C ATOM 0 HA PHE A 23 2.401 1.561 0.162 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.620 4.345 -0.002 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.470 3.396 1.463 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.238 0.694 0.507 1.00 0.00 H new ATOM 0 HD2 PHE A 23 5.920 4.509 -0.375 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.401 -0.369 0.035 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.085 3.448 -0.843 1.00 0.00 H new ATOM 0 HZ PHE A 23 8.330 1.007 -0.637 1.00 0.00 H new ATOM 308 N LEU A 24 0.685 4.238 -0.610 1.00 0.00 N ATOM 309 CA LEU A 24 -0.545 4.971 -0.333 1.00 0.00 C ATOM 310 C LEU A 24 -1.766 4.075 -0.512 1.00 0.00 C ATOM 311 O LEU A 24 -1.818 3.255 -1.428 1.00 0.00 O ATOM 312 CB LEU A 24 -0.656 6.190 -1.250 1.00 0.00 C ATOM 313 CG LEU A 24 0.137 7.417 -0.799 1.00 0.00 C ATOM 314 CD1 LEU A 24 0.237 8.432 -1.926 1.00 0.00 C ATOM 315 CD2 LEU A 24 -0.506 8.043 0.430 1.00 0.00 C ATOM 0 H LEU A 24 1.173 4.538 -1.454 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.511 5.306 0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.320 5.906 -2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.707 6.467 -1.334 1.00 0.00 H new ATOM 0 HG LEU A 24 1.145 7.098 -0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.805 9.298 -1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.742 7.979 -2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.764 8.747 -2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.071 8.915 0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.525 8.348 0.192 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.525 7.315 1.241 1.00 0.00 H new ATOM 327 N ASP A 25 -2.748 4.241 0.368 1.00 0.00 N ATOM 328 CA ASP A 25 -3.971 3.450 0.305 1.00 0.00 C ATOM 329 C ASP A 25 -4.861 3.919 -0.845 1.00 0.00 C ATOM 330 O ASP A 25 -4.993 5.118 -1.085 1.00 0.00 O ATOM 331 CB ASP A 25 -4.733 3.549 1.629 1.00 0.00 C ATOM 332 CG ASP A 25 -5.605 2.336 1.889 1.00 0.00 C ATOM 333 OD1 ASP A 25 -5.049 1.233 2.070 1.00 0.00 O ATOM 334 OD2 ASP A 25 -6.845 2.491 1.911 1.00 0.00 O ATOM 0 H ASP A 25 -2.721 4.916 1.132 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.696 2.410 0.128 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.021 3.663 2.447 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.355 4.444 1.621 1.00 0.00 H new ATOM 339 N PRO A 26 -5.483 2.978 -1.576 1.00 0.00 N ATOM 340 CA PRO A 26 -6.358 3.312 -2.705 1.00 0.00 C ATOM 341 C PRO A 26 -7.677 3.934 -2.259 1.00 0.00 C ATOM 342 O PRO A 26 -8.328 4.646 -3.024 1.00 0.00 O ATOM 343 CB PRO A 26 -6.607 1.959 -3.373 1.00 0.00 C ATOM 344 CG PRO A 26 -6.436 0.961 -2.281 1.00 0.00 C ATOM 345 CD PRO A 26 -5.382 1.520 -1.366 1.00 0.00 C ATOM 0 HA PRO A 26 -5.904 4.053 -3.363 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.607 1.908 -3.803 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.901 1.782 -4.185 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.373 0.804 -1.746 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.132 -0.006 -2.681 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.568 1.250 -0.327 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.390 1.145 -1.620 1.00 0.00 H new ATOM 353 N ILE A 27 -8.070 3.662 -1.017 1.00 0.00 N ATOM 354 CA ILE A 27 -9.314 4.195 -0.477 1.00 0.00 C ATOM 355 C ILE A 27 -9.049 5.310 0.531 1.00 0.00 C ATOM 356 O ILE A 27 -9.689 6.360 0.490 1.00 0.00 O ATOM 357 CB ILE A 27 -10.149 3.093 0.204 1.00 0.00 C ATOM 358 CG1 ILE A 27 -10.265 1.872 -0.709 1.00 0.00 C ATOM 359 CG2 ILE A 27 -11.528 3.622 0.569 1.00 0.00 C ATOM 360 CD1 ILE A 27 -10.719 0.620 0.010 1.00 0.00 C ATOM 0 H ILE A 27 -7.545 3.076 -0.368 1.00 0.00 H new ATOM 0 HA ILE A 27 -9.874 4.599 -1.321 1.00 0.00 H new ATOM 0 HB ILE A 27 -9.644 2.790 1.121 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.967 2.095 -1.512 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.298 1.683 -1.174 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -12.105 2.832 1.049 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -11.425 4.464 1.254 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -12.043 3.950 -0.334 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -10.779 -0.205 -0.699 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.005 0.372 0.796 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -11.701 0.790 0.452 1.00 0.00 H new ATOM 372 N MET A 28 -8.105 5.074 1.435 1.00 0.00 N ATOM 373 CA MET A 28 -7.761 6.058 2.455 1.00 0.00 C ATOM 374 C MET A 28 -6.851 7.144 1.887 1.00 0.00 C ATOM 375 O MET A 28 -6.839 8.273 2.378 1.00 0.00 O ATOM 376 CB MET A 28 -7.079 5.375 3.642 1.00 0.00 C ATOM 377 CG MET A 28 -8.054 4.762 4.633 1.00 0.00 C ATOM 378 SD MET A 28 -8.329 5.807 6.076 1.00 0.00 S ATOM 379 CE MET A 28 -9.555 6.948 5.441 1.00 0.00 C ATOM 0 H MET A 28 -7.564 4.210 1.483 1.00 0.00 H new ATOM 0 HA MET A 28 -8.685 6.527 2.794 1.00 0.00 H new ATOM 0 HB2 MET A 28 -6.414 4.596 3.269 1.00 0.00 H new ATOM 0 HB3 MET A 28 -6.456 6.104 4.161 1.00 0.00 H new ATOM 0 HG2 MET A 28 -9.006 4.580 4.134 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.674 3.793 4.958 1.00 0.00 H new ATOM 0 HE1 MET A 28 -10.033 7.468 6.271 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.072 7.675 4.788 1.00 0.00 H new ATOM 0 HE3 MET A 28 -10.307 6.397 4.877 1.00 0.00 H new ATOM 389 N SER A 29 -6.092 6.799 0.852 1.00 0.00 N ATOM 390 CA SER A 29 -5.181 7.749 0.223 1.00 0.00 C ATOM 391 C SER A 29 -4.140 8.248 1.221 1.00 0.00 C ATOM 392 O SER A 29 -3.737 9.411 1.181 1.00 0.00 O ATOM 393 CB SER A 29 -5.963 8.933 -0.351 1.00 0.00 C ATOM 394 OG SER A 29 -6.675 8.556 -1.517 1.00 0.00 O ATOM 0 H SER A 29 -6.089 5.870 0.431 1.00 0.00 H new ATOM 0 HA SER A 29 -4.664 7.236 -0.588 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.659 9.311 0.398 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.277 9.746 -0.587 1.00 0.00 H new ATOM 0 HG SER A 29 -7.168 9.329 -1.864 1.00 0.00 H new ATOM 400 N THR A 30 -3.709 7.362 2.112 1.00 0.00 N ATOM 401 CA THR A 30 -2.714 7.713 3.119 1.00 0.00 C ATOM 402 C THR A 30 -1.656 6.622 3.244 1.00 0.00 C ATOM 403 O THR A 30 -1.742 5.582 2.591 1.00 0.00 O ATOM 404 CB THR A 30 -3.389 7.945 4.472 1.00 0.00 C ATOM 405 OG1 THR A 30 -4.011 6.759 4.932 1.00 0.00 O ATOM 406 CG2 THR A 30 -4.441 9.033 4.439 1.00 0.00 C ATOM 0 H THR A 30 -4.033 6.396 2.158 1.00 0.00 H new ATOM 0 HA THR A 30 -2.223 8.633 2.803 1.00 0.00 H new ATOM 0 HB THR A 30 -2.589 8.257 5.143 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.435 6.927 5.799 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.879 9.145 5.431 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.982 9.974 4.136 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.220 8.764 3.726 1.00 0.00 H new ATOM 414 N LEU A 31 -0.659 6.866 4.088 1.00 0.00 N ATOM 415 CA LEU A 31 0.417 5.905 4.299 1.00 0.00 C ATOM 416 C LEU A 31 -0.127 4.598 4.868 1.00 0.00 C ATOM 417 O LEU A 31 -0.843 4.595 5.869 1.00 0.00 O ATOM 418 CB LEU A 31 1.471 6.486 5.244 1.00 0.00 C ATOM 419 CG LEU A 31 2.812 5.751 5.249 1.00 0.00 C ATOM 420 CD1 LEU A 31 3.687 6.226 4.100 1.00 0.00 C ATOM 421 CD2 LEU A 31 3.521 5.949 6.580 1.00 0.00 C ATOM 0 H LEU A 31 -0.574 7.721 4.637 1.00 0.00 H new ATOM 0 HA LEU A 31 0.880 5.697 3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.646 7.527 4.973 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.069 6.484 6.257 1.00 0.00 H new ATOM 0 HG LEU A 31 2.622 4.686 5.115 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.637 5.691 4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.182 6.032 3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.871 7.296 4.201 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.474 5.420 6.567 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.699 7.012 6.743 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.899 5.558 7.385 1.00 0.00 H new ATOM 433 N MET A 32 0.221 3.489 4.223 1.00 0.00 N ATOM 434 CA MET A 32 -0.233 2.175 4.665 1.00 0.00 C ATOM 435 C MET A 32 0.791 1.529 5.592 1.00 0.00 C ATOM 436 O MET A 32 1.976 1.451 5.268 1.00 0.00 O ATOM 437 CB MET A 32 -0.486 1.268 3.458 1.00 0.00 C ATOM 438 CG MET A 32 -1.737 1.632 2.676 1.00 0.00 C ATOM 439 SD MET A 32 -2.301 0.295 1.606 1.00 0.00 S ATOM 440 CE MET A 32 -0.783 -0.119 0.751 1.00 0.00 C ATOM 0 H MET A 32 0.815 3.474 3.394 1.00 0.00 H new ATOM 0 HA MET A 32 -1.164 2.306 5.216 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.375 1.315 2.792 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.569 0.236 3.800 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.533 1.895 3.373 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.538 2.517 2.071 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.978 -0.909 0.026 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.404 0.763 0.234 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.042 -0.463 1.472 1.00 0.00 H new ATOM 450 N CYS A 33 0.326 1.068 6.749 1.00 0.00 N ATOM 451 CA CYS A 33 1.201 0.429 7.725 1.00 0.00 C ATOM 452 C CYS A 33 1.172 -1.088 7.569 1.00 0.00 C ATOM 453 O CYS A 33 2.214 -1.729 7.434 1.00 0.00 O ATOM 454 CB CYS A 33 0.784 0.815 9.145 1.00 0.00 C ATOM 455 SG CYS A 33 1.668 2.247 9.809 1.00 0.00 S ATOM 0 H CYS A 33 -0.652 1.125 7.033 1.00 0.00 H new ATOM 0 HA CYS A 33 2.219 0.776 7.546 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.285 1.025 9.154 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.947 -0.037 9.805 1.00 0.00 H new ATOM 0 HG CYS A 33 1.246 2.498 11.013 1.00 0.00 H new ATOM 461 N ASP A 34 -0.029 -1.657 7.587 1.00 0.00 N ATOM 462 CA ASP A 34 -0.196 -3.100 7.447 1.00 0.00 C ATOM 463 C ASP A 34 -1.111 -3.431 6.271 1.00 0.00 C ATOM 464 O ASP A 34 -2.297 -3.706 6.454 1.00 0.00 O ATOM 465 CB ASP A 34 -0.765 -3.696 8.736 1.00 0.00 C ATOM 466 CG ASP A 34 0.279 -3.817 9.828 1.00 0.00 C ATOM 467 OD1 ASP A 34 1.290 -4.517 9.608 1.00 0.00 O ATOM 468 OD2 ASP A 34 0.086 -3.212 10.904 1.00 0.00 O ATOM 0 H ASP A 34 -0.902 -1.141 7.697 1.00 0.00 H new ATOM 0 HA ASP A 34 0.784 -3.537 7.255 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.586 -3.072 9.090 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.181 -4.681 8.525 1.00 0.00 H new ATOM 473 N PRO A 35 -0.570 -3.408 5.041 1.00 0.00 N ATOM 474 CA PRO A 35 -1.343 -3.706 3.832 1.00 0.00 C ATOM 475 C PRO A 35 -1.702 -5.184 3.724 1.00 0.00 C ATOM 476 O PRO A 35 -0.862 -6.056 3.954 1.00 0.00 O ATOM 477 CB PRO A 35 -0.401 -3.301 2.698 1.00 0.00 C ATOM 478 CG PRO A 35 0.965 -3.441 3.275 1.00 0.00 C ATOM 479 CD PRO A 35 0.837 -3.090 4.732 1.00 0.00 C ATOM 0 HA PRO A 35 -2.297 -3.179 3.819 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.531 -3.943 1.827 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.590 -2.278 2.372 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.339 -4.457 3.150 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.670 -2.778 2.774 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.524 -3.671 5.347 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.060 -2.038 4.913 1.00 0.00 H new ATOM 487 N VAL A 36 -2.953 -5.460 3.371 1.00 0.00 N ATOM 488 CA VAL A 36 -3.423 -6.833 3.232 1.00 0.00 C ATOM 489 C VAL A 36 -3.865 -7.119 1.800 1.00 0.00 C ATOM 490 O VAL A 36 -4.629 -6.355 1.211 1.00 0.00 O ATOM 491 CB VAL A 36 -4.597 -7.125 4.185 1.00 0.00 C ATOM 492 CG1 VAL A 36 -4.102 -7.264 5.617 1.00 0.00 C ATOM 493 CG2 VAL A 36 -5.653 -6.035 4.082 1.00 0.00 C ATOM 0 H VAL A 36 -3.660 -4.751 3.176 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.585 -7.481 3.490 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.053 -8.070 3.890 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.946 -7.470 6.275 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.387 -8.084 5.677 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.618 -6.337 5.926 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.474 -6.259 4.763 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.212 -5.075 4.349 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.030 -5.989 3.060 1.00 0.00 H new ATOM 503 N VAL A 37 -3.378 -8.225 1.246 1.00 0.00 N ATOM 504 CA VAL A 37 -3.721 -8.611 -0.117 1.00 0.00 C ATOM 505 C VAL A 37 -5.078 -9.304 -0.166 1.00 0.00 C ATOM 506 O VAL A 37 -5.259 -10.377 0.410 1.00 0.00 O ATOM 507 CB VAL A 37 -2.658 -9.547 -0.722 1.00 0.00 C ATOM 508 CG1 VAL A 37 -2.926 -9.777 -2.201 1.00 0.00 C ATOM 509 CG2 VAL A 37 -1.263 -8.980 -0.506 1.00 0.00 C ATOM 0 H VAL A 37 -2.745 -8.869 1.720 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.762 -7.693 -0.704 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.717 -10.509 -0.214 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.164 -10.441 -2.610 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.909 -10.232 -2.326 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.898 -8.824 -2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.525 -9.655 -0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.189 -8.004 -0.985 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.074 -8.875 0.562 1.00 0.00 H new ATOM 519 N LEU A 38 -6.029 -8.685 -0.858 1.00 0.00 N ATOM 520 CA LEU A 38 -7.370 -9.244 -0.983 1.00 0.00 C ATOM 521 C LEU A 38 -7.388 -10.388 -1.997 1.00 0.00 C ATOM 522 O LEU A 38 -6.951 -10.223 -3.135 1.00 0.00 O ATOM 523 CB LEU A 38 -8.360 -8.157 -1.406 1.00 0.00 C ATOM 524 CG LEU A 38 -8.240 -6.839 -0.640 1.00 0.00 C ATOM 525 CD1 LEU A 38 -9.104 -5.766 -1.285 1.00 0.00 C ATOM 526 CD2 LEU A 38 -8.629 -7.034 0.818 1.00 0.00 C ATOM 0 H LEU A 38 -5.896 -7.796 -1.341 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.667 -9.637 -0.011 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.223 -7.956 -2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.373 -8.541 -1.282 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.201 -6.511 -0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.006 -4.835 -0.726 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.780 -5.608 -2.314 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.146 -6.085 -1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.538 -6.086 1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.659 -7.385 0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.969 -7.771 1.275 1.00 0.00 H new ATOM 538 N PRO A 39 -7.895 -11.570 -1.598 1.00 0.00 N ATOM 539 CA PRO A 39 -7.960 -12.736 -2.484 1.00 0.00 C ATOM 540 C PRO A 39 -9.110 -12.657 -3.487 1.00 0.00 C ATOM 541 O PRO A 39 -9.298 -13.563 -4.298 1.00 0.00 O ATOM 542 CB PRO A 39 -8.181 -13.892 -1.511 1.00 0.00 C ATOM 543 CG PRO A 39 -8.929 -13.285 -0.376 1.00 0.00 C ATOM 544 CD PRO A 39 -8.438 -11.866 -0.257 1.00 0.00 C ATOM 0 HA PRO A 39 -7.065 -12.831 -3.098 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.749 -14.698 -1.975 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.234 -14.319 -1.180 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -10.003 -13.311 -0.560 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.750 -13.837 0.547 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.246 -11.184 0.008 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.674 -11.770 0.515 1.00 0.00 H new ATOM 552 N SER A 40 -9.882 -11.574 -3.427 1.00 0.00 N ATOM 553 CA SER A 40 -11.011 -11.392 -4.331 1.00 0.00 C ATOM 554 C SER A 40 -10.648 -10.458 -5.483 1.00 0.00 C ATOM 555 O SER A 40 -10.414 -10.904 -6.607 1.00 0.00 O ATOM 556 CB SER A 40 -12.218 -10.841 -3.567 1.00 0.00 C ATOM 557 OG SER A 40 -13.324 -11.722 -3.656 1.00 0.00 O ATOM 0 H SER A 40 -9.745 -10.812 -2.763 1.00 0.00 H new ATOM 0 HA SER A 40 -11.268 -12.365 -4.750 1.00 0.00 H new ATOM 0 HB2 SER A 40 -11.952 -10.691 -2.521 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.493 -9.866 -3.969 1.00 0.00 H new ATOM 0 HG SER A 40 -14.081 -11.348 -3.159 1.00 0.00 H new ATOM 563 N SER A 41 -10.610 -9.160 -5.198 1.00 0.00 N ATOM 564 CA SER A 41 -10.282 -8.162 -6.212 1.00 0.00 C ATOM 565 C SER A 41 -8.779 -8.119 -6.491 1.00 0.00 C ATOM 566 O SER A 41 -8.340 -7.491 -7.454 1.00 0.00 O ATOM 567 CB SER A 41 -10.768 -6.781 -5.771 1.00 0.00 C ATOM 568 OG SER A 41 -10.068 -6.337 -4.622 1.00 0.00 O ATOM 0 H SER A 41 -10.802 -8.774 -4.274 1.00 0.00 H new ATOM 0 HA SER A 41 -10.789 -8.447 -7.134 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.630 -6.067 -6.583 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.836 -6.819 -5.558 1.00 0.00 H new ATOM 0 HG SER A 41 -10.710 -6.070 -3.931 1.00 0.00 H new ATOM 574 N ARG A 42 -7.995 -8.784 -5.646 1.00 0.00 N ATOM 575 CA ARG A 42 -6.546 -8.809 -5.812 1.00 0.00 C ATOM 576 C ARG A 42 -5.962 -7.405 -5.700 1.00 0.00 C ATOM 577 O ARG A 42 -4.942 -7.095 -6.316 1.00 0.00 O ATOM 578 CB ARG A 42 -6.175 -9.423 -7.164 1.00 0.00 C ATOM 579 CG ARG A 42 -6.019 -10.935 -7.121 1.00 0.00 C ATOM 580 CD ARG A 42 -7.217 -11.639 -7.739 1.00 0.00 C ATOM 581 NE ARG A 42 -7.582 -12.847 -7.002 1.00 0.00 N ATOM 582 CZ ARG A 42 -6.908 -13.992 -7.076 1.00 0.00 C ATOM 583 NH1 ARG A 42 -5.833 -14.089 -7.848 1.00 0.00 N ATOM 584 NH2 ARG A 42 -7.309 -15.043 -6.374 1.00 0.00 N ATOM 0 H ARG A 42 -8.338 -9.311 -4.843 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.125 -9.423 -5.016 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.942 -9.165 -7.894 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.242 -8.979 -7.512 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.112 -11.223 -7.653 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.899 -11.260 -6.087 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.067 -10.957 -7.761 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.991 -11.900 -8.773 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.401 -12.810 -6.395 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.519 -13.283 -8.389 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.321 -14.969 -7.900 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.134 -14.974 -5.778 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.793 -15.921 -6.430 1.00 0.00 H new ATOM 598 N VAL A 43 -6.616 -6.559 -4.911 1.00 0.00 N ATOM 599 CA VAL A 43 -6.164 -5.187 -4.717 1.00 0.00 C ATOM 600 C VAL A 43 -5.665 -4.971 -3.293 1.00 0.00 C ATOM 601 O VAL A 43 -6.415 -5.135 -2.330 1.00 0.00 O ATOM 602 CB VAL A 43 -7.288 -4.177 -5.013 1.00 0.00 C ATOM 603 CG1 VAL A 43 -6.747 -2.755 -5.002 1.00 0.00 C ATOM 604 CG2 VAL A 43 -7.950 -4.492 -6.346 1.00 0.00 C ATOM 0 H VAL A 43 -7.462 -6.800 -4.395 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.345 -5.022 -5.417 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.041 -4.260 -4.229 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.556 -2.056 -5.213 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.324 -2.534 -4.022 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.973 -2.654 -5.763 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.742 -3.768 -6.539 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.208 -4.439 -7.142 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.375 -5.495 -6.313 1.00 0.00 H new ATOM 614 N THR A 44 -4.395 -4.603 -3.165 1.00 0.00 N ATOM 615 CA THR A 44 -3.795 -4.366 -1.856 1.00 0.00 C ATOM 616 C THR A 44 -4.488 -3.210 -1.140 1.00 0.00 C ATOM 617 O THR A 44 -4.741 -2.162 -1.732 1.00 0.00 O ATOM 618 CB THR A 44 -2.303 -4.069 -2.003 1.00 0.00 C ATOM 619 OG1 THR A 44 -1.745 -4.814 -3.071 1.00 0.00 O ATOM 620 CG2 THR A 44 -1.503 -4.386 -0.757 1.00 0.00 C ATOM 0 H THR A 44 -3.761 -4.462 -3.951 1.00 0.00 H new ATOM 0 HA THR A 44 -3.922 -5.268 -1.257 1.00 0.00 H new ATOM 0 HB THR A 44 -2.241 -2.998 -2.193 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.790 -4.608 -3.149 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.453 -4.152 -0.930 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.875 -3.790 0.076 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.604 -5.445 -0.519 1.00 0.00 H new ATOM 628 N VAL A 45 -4.790 -3.410 0.139 1.00 0.00 N ATOM 629 CA VAL A 45 -5.452 -2.386 0.937 1.00 0.00 C ATOM 630 C VAL A 45 -5.076 -2.511 2.410 1.00 0.00 C ATOM 631 O VAL A 45 -4.777 -3.603 2.894 1.00 0.00 O ATOM 632 CB VAL A 45 -6.984 -2.467 0.800 1.00 0.00 C ATOM 633 CG1 VAL A 45 -7.407 -2.195 -0.635 1.00 0.00 C ATOM 634 CG2 VAL A 45 -7.493 -3.824 1.265 1.00 0.00 C ATOM 0 H VAL A 45 -4.586 -4.272 0.644 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.114 -1.422 0.558 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.427 -1.701 1.437 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.493 -2.257 -0.712 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.078 -1.198 -0.928 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.954 -2.935 -1.294 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.577 -3.861 1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.043 -4.609 0.658 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.224 -3.975 2.310 1.00 0.00 H new ATOM 644 N ASP A 46 -5.095 -1.387 3.119 1.00 0.00 N ATOM 645 CA ASP A 46 -4.757 -1.372 4.538 1.00 0.00 C ATOM 646 C ASP A 46 -5.679 -2.298 5.327 1.00 0.00 C ATOM 647 O ASP A 46 -6.883 -2.352 5.075 1.00 0.00 O ATOM 648 CB ASP A 46 -4.846 0.053 5.091 1.00 0.00 C ATOM 649 CG ASP A 46 -3.489 0.612 5.471 1.00 0.00 C ATOM 650 OD1 ASP A 46 -2.580 -0.189 5.774 1.00 0.00 O ATOM 651 OD2 ASP A 46 -3.336 1.852 5.469 1.00 0.00 O ATOM 0 H ASP A 46 -5.341 -0.475 2.734 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.734 -1.731 4.646 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.307 0.701 4.345 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.497 0.060 5.965 1.00 0.00 H new ATOM 656 N ARG A 47 -5.106 -3.024 6.282 1.00 0.00 N ATOM 657 CA ARG A 47 -5.877 -3.946 7.107 1.00 0.00 C ATOM 658 C ARG A 47 -6.991 -3.213 7.847 1.00 0.00 C ATOM 659 O ARG A 47 -8.043 -3.786 8.132 1.00 0.00 O ATOM 660 CB ARG A 47 -4.963 -4.655 8.108 1.00 0.00 C ATOM 661 CG ARG A 47 -5.494 -6.003 8.567 1.00 0.00 C ATOM 662 CD ARG A 47 -6.341 -5.869 9.822 1.00 0.00 C ATOM 663 NE ARG A 47 -5.612 -5.220 10.908 1.00 0.00 N ATOM 664 CZ ARG A 47 -6.197 -4.667 11.968 1.00 0.00 C ATOM 665 NH1 ARG A 47 -7.519 -4.683 12.089 1.00 0.00 N ATOM 666 NH2 ARG A 47 -5.460 -4.097 12.910 1.00 0.00 N ATOM 0 H ARG A 47 -4.111 -2.991 6.503 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.330 -4.689 6.451 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.982 -4.795 7.655 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.824 -4.013 8.978 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.089 -6.451 7.771 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.660 -6.678 8.760 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.239 -5.294 9.594 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.669 -6.857 10.145 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.594 -5.189 10.851 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.092 -5.121 11.367 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.962 -4.258 12.904 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.444 -4.082 12.823 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.909 -3.673 13.722 1.00 0.00 H new ATOM 680 N SER A 48 -6.754 -1.942 8.155 1.00 0.00 N ATOM 681 CA SER A 48 -7.737 -1.131 8.861 1.00 0.00 C ATOM 682 C SER A 48 -8.763 -0.552 7.890 1.00 0.00 C ATOM 683 O SER A 48 -9.921 -0.340 8.248 1.00 0.00 O ATOM 684 CB SER A 48 -7.045 0.001 9.623 1.00 0.00 C ATOM 685 OG SER A 48 -7.671 0.233 10.872 1.00 0.00 O ATOM 0 H SER A 48 -5.889 -1.452 7.926 1.00 0.00 H new ATOM 0 HA SER A 48 -8.257 -1.773 9.572 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.996 -0.250 9.780 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.069 0.913 9.026 1.00 0.00 H new ATOM 0 HG SER A 48 -7.209 0.960 11.340 1.00 0.00 H new ATOM 691 N THR A 49 -8.327 -0.299 6.660 1.00 0.00 N ATOM 692 CA THR A 49 -9.207 0.254 5.637 1.00 0.00 C ATOM 693 C THR A 49 -10.262 -0.764 5.218 1.00 0.00 C ATOM 694 O THR A 49 -11.423 -0.417 5.003 1.00 0.00 O ATOM 695 CB THR A 49 -8.394 0.696 4.419 1.00 0.00 C ATOM 696 OG1 THR A 49 -7.364 1.589 4.800 1.00 0.00 O ATOM 697 CG2 THR A 49 -9.229 1.384 3.360 1.00 0.00 C ATOM 0 H THR A 49 -7.371 -0.468 6.348 1.00 0.00 H new ATOM 0 HA THR A 49 -9.714 1.121 6.060 1.00 0.00 H new ATOM 0 HB THR A 49 -7.984 -0.222 3.997 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.093 2.126 4.026 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.591 1.672 2.524 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.004 0.703 3.008 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.694 2.274 3.785 1.00 0.00 H new ATOM 705 N ILE A 50 -9.848 -2.020 5.107 1.00 0.00 N ATOM 706 CA ILE A 50 -10.756 -3.091 4.715 1.00 0.00 C ATOM 707 C ILE A 50 -11.766 -3.383 5.821 1.00 0.00 C ATOM 708 O ILE A 50 -12.951 -3.582 5.555 1.00 0.00 O ATOM 709 CB ILE A 50 -9.986 -4.385 4.374 1.00 0.00 C ATOM 710 CG1 ILE A 50 -10.948 -5.462 3.871 1.00 0.00 C ATOM 711 CG2 ILE A 50 -9.214 -4.881 5.589 1.00 0.00 C ATOM 712 CD1 ILE A 50 -11.581 -5.131 2.536 1.00 0.00 C ATOM 0 H ILE A 50 -8.890 -2.322 5.283 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.286 -2.751 3.825 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.272 -4.164 3.581 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.411 -6.406 3.785 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.735 -5.609 4.611 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.677 -5.794 5.331 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.502 -4.118 5.904 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.909 -5.087 6.403 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.251 -5.938 2.241 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.147 -4.203 2.622 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.802 -5.013 1.783 1.00 0.00 H new ATOM 724 N ALA A 51 -11.289 -3.405 7.062 1.00 0.00 N ATOM 725 CA ALA A 51 -12.150 -3.670 8.208 1.00 0.00 C ATOM 726 C ALA A 51 -13.322 -2.695 8.251 1.00 0.00 C ATOM 727 O ALA A 51 -14.440 -3.067 8.603 1.00 0.00 O ATOM 728 CB ALA A 51 -11.349 -3.594 9.499 1.00 0.00 C ATOM 0 H ALA A 51 -10.310 -3.242 7.299 1.00 0.00 H new ATOM 0 HA ALA A 51 -12.553 -4.677 8.103 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.005 -3.794 10.346 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.550 -4.335 9.476 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -10.917 -2.598 9.601 1.00 0.00 H new ATOM 734 N ARG A 52 -13.056 -1.445 7.887 1.00 0.00 N ATOM 735 CA ARG A 52 -14.088 -0.415 7.880 1.00 0.00 C ATOM 736 C ARG A 52 -15.177 -0.749 6.866 1.00 0.00 C ATOM 737 O ARG A 52 -16.349 -0.433 7.069 1.00 0.00 O ATOM 738 CB ARG A 52 -13.476 0.949 7.557 1.00 0.00 C ATOM 739 CG ARG A 52 -14.358 2.121 7.953 1.00 0.00 C ATOM 740 CD ARG A 52 -14.261 2.416 9.441 1.00 0.00 C ATOM 741 NE ARG A 52 -13.389 3.555 9.718 1.00 0.00 N ATOM 742 CZ ARG A 52 -13.322 4.168 10.898 1.00 0.00 C ATOM 743 NH1 ARG A 52 -14.073 3.754 11.912 1.00 0.00 N ATOM 744 NH2 ARG A 52 -12.503 5.196 11.065 1.00 0.00 N ATOM 0 H ARG A 52 -12.135 -1.121 7.593 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.537 -0.377 8.873 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.517 1.038 8.068 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.273 1.003 6.487 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.066 3.005 7.386 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -15.393 1.903 7.691 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -15.257 2.617 9.836 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.884 1.536 9.961 1.00 0.00 H new ATOM 0 HE ARG A 52 -12.797 3.901 8.963 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -14.705 2.963 11.789 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -14.018 4.227 12.814 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.924 5.518 10.290 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.452 5.666 11.969 1.00 0.00 H new ATOM 758 N HIS A 53 -14.779 -1.392 5.772 1.00 0.00 N ATOM 759 CA HIS A 53 -15.718 -1.773 4.723 1.00 0.00 C ATOM 760 C HIS A 53 -16.452 -3.061 5.085 1.00 0.00 C ATOM 761 O HIS A 53 -17.542 -3.328 4.581 1.00 0.00 O ATOM 762 CB HIS A 53 -14.985 -1.950 3.393 1.00 0.00 C ATOM 763 CG HIS A 53 -15.899 -1.996 2.208 1.00 0.00 C ATOM 764 ND1 HIS A 53 -16.679 -0.938 1.798 1.00 0.00 N ATOM 765 CD2 HIS A 53 -16.150 -3.006 1.337 1.00 0.00 C ATOM 766 CE1 HIS A 53 -17.365 -1.329 0.715 1.00 0.00 C ATOM 767 NE2 HIS A 53 -17.079 -2.576 0.394 1.00 0.00 N ATOM 0 H HIS A 53 -13.812 -1.660 5.589 1.00 0.00 H new ATOM 0 HA HIS A 53 -16.453 -0.974 4.624 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -14.278 -1.130 3.265 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -14.402 -2.871 3.428 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -15.700 -3.987 1.370 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -18.061 -0.704 0.175 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -17.460 -3.114 -0.384 1.00 0.00 H new ATOM 775 N LEU A 54 -15.848 -3.858 5.963 1.00 0.00 N ATOM 776 CA LEU A 54 -16.447 -5.117 6.390 1.00 0.00 C ATOM 777 C LEU A 54 -17.232 -4.940 7.687 1.00 0.00 C ATOM 778 O LEU A 54 -17.332 -5.865 8.494 1.00 0.00 O ATOM 779 CB LEU A 54 -15.365 -6.183 6.578 1.00 0.00 C ATOM 780 CG LEU A 54 -14.485 -6.438 5.353 1.00 0.00 C ATOM 781 CD1 LEU A 54 -13.502 -7.565 5.627 1.00 0.00 C ATOM 782 CD2 LEU A 54 -15.344 -6.761 4.138 1.00 0.00 C ATOM 0 H LEU A 54 -14.945 -3.654 6.391 1.00 0.00 H new ATOM 0 HA LEU A 54 -17.138 -5.441 5.612 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -14.726 -5.887 7.410 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.845 -7.119 6.862 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.917 -5.532 5.142 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.885 -7.732 4.744 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.865 -7.296 6.470 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.051 -8.477 5.864 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.702 -6.940 3.276 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -15.938 -7.653 4.339 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -16.008 -5.922 3.928 1.00 0.00 H new ATOM 794 N LEU A 55 -17.787 -3.749 7.882 1.00 0.00 N ATOM 795 CA LEU A 55 -18.563 -3.454 9.082 1.00 0.00 C ATOM 796 C LEU A 55 -20.033 -3.807 8.876 1.00 0.00 C ATOM 797 O LEU A 55 -20.623 -4.537 9.672 1.00 0.00 O ATOM 798 CB LEU A 55 -18.428 -1.976 9.452 1.00 0.00 C ATOM 799 CG LEU A 55 -17.013 -1.526 9.820 1.00 0.00 C ATOM 800 CD1 LEU A 55 -16.968 -0.019 10.022 1.00 0.00 C ATOM 801 CD2 LEU A 55 -16.535 -2.248 11.070 1.00 0.00 C ATOM 0 H LEU A 55 -17.714 -2.972 7.225 1.00 0.00 H new ATOM 0 HA LEU A 55 -18.171 -4.062 9.898 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.777 -1.374 8.613 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -19.090 -1.766 10.292 1.00 0.00 H new ATOM 0 HG LEU A 55 -16.344 -1.781 8.998 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -15.954 0.283 10.283 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -17.270 0.481 9.101 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -17.648 0.261 10.826 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.527 -1.917 11.318 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -17.206 -2.023 11.899 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.530 -3.323 10.890 1.00 0.00 H new ATOM 813 N SER A 56 -20.616 -3.284 7.802 1.00 0.00 N ATOM 814 CA SER A 56 -22.017 -3.544 7.490 1.00 0.00 C ATOM 815 C SER A 56 -22.142 -4.511 6.317 1.00 0.00 C ATOM 816 O SER A 56 -23.093 -5.289 6.239 1.00 0.00 O ATOM 817 CB SER A 56 -22.741 -2.236 7.170 1.00 0.00 C ATOM 818 OG SER A 56 -23.240 -1.626 8.347 1.00 0.00 O ATOM 0 H SER A 56 -20.140 -2.678 7.133 1.00 0.00 H new ATOM 0 HA SER A 56 -22.480 -4.001 8.364 1.00 0.00 H new ATOM 0 HB2 SER A 56 -22.058 -1.553 6.665 1.00 0.00 H new ATOM 0 HB3 SER A 56 -23.563 -2.431 6.482 1.00 0.00 H new ATOM 0 HG SER A 56 -23.697 -0.791 8.114 1.00 0.00 H new ATOM 824 N ASP A 57 -21.176 -4.454 5.405 1.00 0.00 N ATOM 825 CA ASP A 57 -21.177 -5.324 4.235 1.00 0.00 C ATOM 826 C ASP A 57 -19.866 -6.096 4.131 1.00 0.00 C ATOM 827 O ASP A 57 -18.907 -5.630 3.515 1.00 0.00 O ATOM 828 CB ASP A 57 -21.402 -4.505 2.964 1.00 0.00 C ATOM 829 CG ASP A 57 -22.618 -3.605 3.062 1.00 0.00 C ATOM 830 OD1 ASP A 57 -23.730 -4.133 3.280 1.00 0.00 O ATOM 831 OD2 ASP A 57 -22.460 -2.374 2.921 1.00 0.00 O ATOM 0 H ASP A 57 -20.383 -3.814 5.454 1.00 0.00 H new ATOM 0 HA ASP A 57 -21.992 -6.039 4.346 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -20.519 -3.897 2.766 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -21.521 -5.180 2.117 1.00 0.00 H new ATOM 836 N GLN A 58 -19.831 -7.280 4.735 1.00 0.00 N ATOM 837 CA GLN A 58 -18.636 -8.117 4.708 1.00 0.00 C ATOM 838 C GLN A 58 -18.344 -8.602 3.291 1.00 0.00 C ATOM 839 O GLN A 58 -18.668 -9.734 2.933 1.00 0.00 O ATOM 840 CB GLN A 58 -18.805 -9.313 5.648 1.00 0.00 C ATOM 841 CG GLN A 58 -18.118 -9.131 6.992 1.00 0.00 C ATOM 842 CD GLN A 58 -19.072 -9.290 8.161 1.00 0.00 C ATOM 843 OE1 GLN A 58 -19.493 -10.400 8.489 1.00 0.00 O ATOM 844 NE2 GLN A 58 -19.416 -8.177 8.800 1.00 0.00 N ATOM 0 H GLN A 58 -20.616 -7.681 5.249 1.00 0.00 H new ATOM 0 HA GLN A 58 -17.792 -7.516 5.046 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -19.868 -9.488 5.813 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -18.407 -10.205 5.163 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -17.311 -9.858 7.085 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -17.662 -8.142 7.032 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -19.044 -7.278 8.495 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -20.052 -8.222 9.596 1.00 0.00 H new ATOM 853 N THR A 59 -17.730 -7.737 2.490 1.00 0.00 N ATOM 854 CA THR A 59 -17.393 -8.076 1.112 1.00 0.00 C ATOM 855 C THR A 59 -16.290 -7.166 0.583 1.00 0.00 C ATOM 856 O THR A 59 -15.870 -6.227 1.258 1.00 0.00 O ATOM 857 CB THR A 59 -18.632 -7.968 0.222 1.00 0.00 C ATOM 858 OG1 THR A 59 -19.302 -6.740 0.443 1.00 0.00 O ATOM 859 CG2 THR A 59 -19.630 -9.083 0.446 1.00 0.00 C ATOM 0 H THR A 59 -17.456 -6.796 2.772 1.00 0.00 H new ATOM 0 HA THR A 59 -17.030 -9.104 1.094 1.00 0.00 H new ATOM 0 HB THR A 59 -18.260 -8.037 -0.800 1.00 0.00 H new ATOM 0 HG1 THR A 59 -20.091 -6.689 -0.136 1.00 0.00 H new ATOM 0 HG21 THR A 59 -20.484 -8.945 -0.217 1.00 0.00 H new ATOM 0 HG22 THR A 59 -19.157 -10.042 0.235 1.00 0.00 H new ATOM 0 HG23 THR A 59 -19.968 -9.066 1.482 1.00 0.00 H new ATOM 867 N ASP A 60 -15.825 -7.451 -0.629 1.00 0.00 N ATOM 868 CA ASP A 60 -14.771 -6.656 -1.248 1.00 0.00 C ATOM 869 C ASP A 60 -15.324 -5.329 -1.765 1.00 0.00 C ATOM 870 O ASP A 60 -16.407 -5.286 -2.348 1.00 0.00 O ATOM 871 CB ASP A 60 -14.123 -7.435 -2.396 1.00 0.00 C ATOM 872 CG ASP A 60 -12.752 -6.900 -2.757 1.00 0.00 C ATOM 873 OD1 ASP A 60 -11.757 -7.369 -2.165 1.00 0.00 O ATOM 874 OD2 ASP A 60 -12.672 -6.012 -3.631 1.00 0.00 O ATOM 0 H ASP A 60 -16.161 -8.226 -1.201 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.016 -6.444 -0.491 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.038 -8.485 -2.116 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.770 -7.390 -3.272 1.00 0.00 H new ATOM 879 N PRO A 61 -14.588 -4.223 -1.556 1.00 0.00 N ATOM 880 CA PRO A 61 -15.018 -2.896 -2.005 1.00 0.00 C ATOM 881 C PRO A 61 -14.884 -2.717 -3.515 1.00 0.00 C ATOM 882 O PRO A 61 -15.506 -1.830 -4.101 1.00 0.00 O ATOM 883 CB PRO A 61 -14.068 -1.952 -1.268 1.00 0.00 C ATOM 884 CG PRO A 61 -12.831 -2.754 -1.056 1.00 0.00 C ATOM 885 CD PRO A 61 -13.283 -4.178 -0.867 1.00 0.00 C ATOM 0 HA PRO A 61 -16.072 -2.716 -1.794 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.864 -1.057 -1.855 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -14.494 -1.622 -0.320 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -12.160 -2.668 -1.911 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.282 -2.400 -0.183 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.576 -4.884 -1.302 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.378 -4.432 0.189 1.00 0.00 H new ATOM 893 N PHE A 62 -14.067 -3.559 -4.140 1.00 0.00 N ATOM 894 CA PHE A 62 -13.852 -3.488 -5.581 1.00 0.00 C ATOM 895 C PHE A 62 -14.506 -4.668 -6.294 1.00 0.00 C ATOM 896 O PHE A 62 -14.916 -4.557 -7.449 1.00 0.00 O ATOM 897 CB PHE A 62 -12.356 -3.457 -5.895 1.00 0.00 C ATOM 898 CG PHE A 62 -11.571 -2.541 -4.998 1.00 0.00 C ATOM 899 CD1 PHE A 62 -11.742 -1.169 -5.067 1.00 0.00 C ATOM 900 CD2 PHE A 62 -10.663 -3.055 -4.087 1.00 0.00 C ATOM 901 CE1 PHE A 62 -11.022 -0.324 -4.243 1.00 0.00 C ATOM 902 CE2 PHE A 62 -9.939 -2.216 -3.261 1.00 0.00 C ATOM 903 CZ PHE A 62 -10.119 -0.848 -3.339 1.00 0.00 C ATOM 0 H PHE A 62 -13.543 -4.298 -3.671 1.00 0.00 H new ATOM 0 HA PHE A 62 -14.313 -2.569 -5.942 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -11.955 -4.467 -5.810 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.217 -3.145 -6.930 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -12.446 -0.754 -5.773 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -10.519 -4.123 -4.021 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -11.166 0.745 -4.306 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -9.233 -2.629 -2.555 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.555 -0.190 -2.694 1.00 0.00 H new ATOM 913 N ASN A 63 -14.597 -5.798 -5.601 1.00 0.00 N ATOM 914 CA ASN A 63 -15.198 -6.998 -6.173 1.00 0.00 C ATOM 915 C ASN A 63 -16.644 -7.162 -5.713 1.00 0.00 C ATOM 916 O ASN A 63 -17.473 -7.720 -6.431 1.00 0.00 O ATOM 917 CB ASN A 63 -14.382 -8.235 -5.788 1.00 0.00 C ATOM 918 CG ASN A 63 -14.014 -9.081 -6.990 1.00 0.00 C ATOM 919 OD1 ASN A 63 -14.372 -10.256 -7.071 1.00 0.00 O ATOM 920 ND2 ASN A 63 -13.295 -8.486 -7.935 1.00 0.00 N ATOM 0 H ASN A 63 -14.263 -5.908 -4.644 1.00 0.00 H new ATOM 0 HA ASN A 63 -15.195 -6.891 -7.258 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.473 -7.922 -5.275 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.953 -8.839 -5.083 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -13.018 -9.005 -8.768 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -13.020 -7.510 -7.828 1.00 0.00 H new ATOM 927 N ARG A 64 -16.939 -6.676 -4.511 1.00 0.00 N ATOM 928 CA ARG A 64 -18.286 -6.773 -3.958 1.00 0.00 C ATOM 929 C ARG A 64 -18.692 -8.231 -3.769 1.00 0.00 C ATOM 930 O ARG A 64 -19.854 -8.592 -3.956 1.00 0.00 O ATOM 931 CB ARG A 64 -19.289 -6.065 -4.871 1.00 0.00 C ATOM 932 CG ARG A 64 -20.625 -5.782 -4.203 1.00 0.00 C ATOM 933 CD ARG A 64 -20.549 -4.563 -3.295 1.00 0.00 C ATOM 934 NE ARG A 64 -21.620 -3.608 -3.572 1.00 0.00 N ATOM 935 CZ ARG A 64 -21.601 -2.745 -4.585 1.00 0.00 C ATOM 936 NH1 ARG A 64 -20.570 -2.714 -5.422 1.00 0.00 N ATOM 937 NH2 ARG A 64 -22.615 -1.909 -4.763 1.00 0.00 N ATOM 0 H ARG A 64 -16.265 -6.212 -3.902 1.00 0.00 H new ATOM 0 HA ARG A 64 -18.287 -6.285 -2.983 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -18.856 -5.125 -5.212 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -19.457 -6.678 -5.756 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -21.387 -5.622 -4.966 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -20.933 -6.651 -3.622 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -20.607 -4.882 -2.254 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -19.584 -4.073 -3.425 1.00 0.00 H new ATOM 0 HE ARG A 64 -22.430 -3.603 -2.952 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -19.787 -3.354 -5.290 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -20.562 -2.050 -6.196 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -23.409 -1.927 -4.124 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -22.600 -1.248 -5.539 1.00 0.00 H new ATOM 951 N SER A 65 -17.726 -9.066 -3.397 1.00 0.00 N ATOM 952 CA SER A 65 -17.982 -10.486 -3.183 1.00 0.00 C ATOM 953 C SER A 65 -17.757 -10.865 -1.721 1.00 0.00 C ATOM 954 O SER A 65 -17.149 -10.110 -0.962 1.00 0.00 O ATOM 955 CB SER A 65 -17.081 -11.330 -4.085 1.00 0.00 C ATOM 956 OG SER A 65 -17.728 -11.641 -5.307 1.00 0.00 O ATOM 0 H SER A 65 -16.759 -8.783 -3.238 1.00 0.00 H new ATOM 0 HA SER A 65 -19.024 -10.684 -3.435 1.00 0.00 H new ATOM 0 HB2 SER A 65 -16.156 -10.790 -4.287 1.00 0.00 H new ATOM 0 HB3 SER A 65 -16.807 -12.251 -3.571 1.00 0.00 H new ATOM 0 HG SER A 65 -17.130 -12.180 -5.866 1.00 0.00 H new ATOM 962 N PRO A 66 -18.245 -12.047 -1.307 1.00 0.00 N ATOM 963 CA PRO A 66 -18.095 -12.524 0.072 1.00 0.00 C ATOM 964 C PRO A 66 -16.643 -12.497 0.537 1.00 0.00 C ATOM 965 O PRO A 66 -15.805 -13.247 0.036 1.00 0.00 O ATOM 966 CB PRO A 66 -18.609 -13.965 0.010 1.00 0.00 C ATOM 967 CG PRO A 66 -19.543 -13.984 -1.150 1.00 0.00 C ATOM 968 CD PRO A 66 -18.983 -13.008 -2.147 1.00 0.00 C ATOM 0 HA PRO A 66 -18.635 -11.896 0.781 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -17.791 -14.672 -0.129 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.118 -14.244 0.933 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -19.613 -14.984 -1.579 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -20.550 -13.697 -0.846 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -18.327 -13.500 -2.866 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -19.772 -12.519 -2.718 1.00 0.00 H new ATOM 976 N LEU A 67 -16.351 -11.629 1.501 1.00 0.00 N ATOM 977 CA LEU A 67 -15.000 -11.504 2.036 1.00 0.00 C ATOM 978 C LEU A 67 -15.030 -11.307 3.548 1.00 0.00 C ATOM 979 O LEU A 67 -15.991 -10.766 4.094 1.00 0.00 O ATOM 980 CB LEU A 67 -14.271 -10.334 1.371 1.00 0.00 C ATOM 981 CG LEU A 67 -12.802 -10.176 1.770 1.00 0.00 C ATOM 982 CD1 LEU A 67 -11.975 -11.330 1.225 1.00 0.00 C ATOM 983 CD2 LEU A 67 -12.257 -8.846 1.274 1.00 0.00 C ATOM 0 H LEU A 67 -17.033 -11.002 1.928 1.00 0.00 H new ATOM 0 HA LEU A 67 -14.463 -12.427 1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -14.327 -10.458 0.290 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.799 -9.412 1.613 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.736 -10.191 2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.933 -11.201 1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -12.352 -12.270 1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -12.046 -11.347 0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.211 -8.750 1.566 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.336 -8.803 0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -12.833 -8.031 1.712 1.00 0.00 H new ATOM 995 N THR A 68 -13.970 -11.749 4.218 1.00 0.00 N ATOM 996 CA THR A 68 -13.875 -11.622 5.667 1.00 0.00 C ATOM 997 C THR A 68 -12.465 -11.218 6.086 1.00 0.00 C ATOM 998 O THR A 68 -11.598 -10.987 5.244 1.00 0.00 O ATOM 999 CB THR A 68 -14.261 -12.939 6.342 1.00 0.00 C ATOM 1000 OG1 THR A 68 -13.928 -14.041 5.517 1.00 0.00 O ATOM 1001 CG2 THR A 68 -15.737 -13.036 6.664 1.00 0.00 C ATOM 0 H THR A 68 -13.166 -12.198 3.780 1.00 0.00 H new ATOM 0 HA THR A 68 -14.567 -10.842 5.984 1.00 0.00 H new ATOM 0 HB THR A 68 -13.700 -12.961 7.276 1.00 0.00 H new ATOM 0 HG1 THR A 68 -14.411 -13.971 4.667 1.00 0.00 H new ATOM 0 HG21 THR A 68 -15.943 -13.994 7.141 1.00 0.00 H new ATOM 0 HG22 THR A 68 -16.016 -12.227 7.339 1.00 0.00 H new ATOM 0 HG23 THR A 68 -16.316 -12.957 5.744 1.00 0.00 H new ATOM 1009 N MET A 69 -12.242 -11.139 7.394 1.00 0.00 N ATOM 1010 CA MET A 69 -10.937 -10.766 7.925 1.00 0.00 C ATOM 1011 C MET A 69 -9.946 -11.919 7.793 1.00 0.00 C ATOM 1012 O MET A 69 -8.745 -11.703 7.637 1.00 0.00 O ATOM 1013 CB MET A 69 -11.061 -10.349 9.393 1.00 0.00 C ATOM 1014 CG MET A 69 -10.174 -9.173 9.767 1.00 0.00 C ATOM 1015 SD MET A 69 -10.987 -7.584 9.516 1.00 0.00 S ATOM 1016 CE MET A 69 -9.853 -6.803 8.370 1.00 0.00 C ATOM 0 H MET A 69 -12.948 -11.328 8.105 1.00 0.00 H new ATOM 0 HA MET A 69 -10.564 -9.922 7.345 1.00 0.00 H new ATOM 0 HB2 MET A 69 -12.099 -10.092 9.603 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.809 -11.200 10.026 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.878 -9.264 10.812 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.261 -9.208 9.172 1.00 0.00 H new ATOM 0 HE1 MET A 69 -9.953 -5.720 8.440 1.00 0.00 H new ATOM 0 HE2 MET A 69 -8.831 -7.090 8.617 1.00 0.00 H new ATOM 0 HE3 MET A 69 -10.084 -7.124 7.354 1.00 0.00 H new ATOM 1026 N ASP A 70 -10.460 -13.143 7.857 1.00 0.00 N ATOM 1027 CA ASP A 70 -9.621 -14.332 7.744 1.00 0.00 C ATOM 1028 C ASP A 70 -9.209 -14.573 6.296 1.00 0.00 C ATOM 1029 O ASP A 70 -8.096 -15.021 6.023 1.00 0.00 O ATOM 1030 CB ASP A 70 -10.363 -15.555 8.287 1.00 0.00 C ATOM 1031 CG ASP A 70 -11.738 -15.717 7.671 1.00 0.00 C ATOM 1032 OD1 ASP A 70 -11.818 -15.935 6.444 1.00 0.00 O ATOM 1033 OD2 ASP A 70 -12.737 -15.625 8.416 1.00 0.00 O ATOM 0 H ASP A 70 -11.453 -13.338 7.986 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.720 -14.169 8.335 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.773 -16.451 8.092 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.461 -15.466 9.369 1.00 0.00 H new ATOM 1038 N GLN A 71 -10.116 -14.274 5.371 1.00 0.00 N ATOM 1039 CA GLN A 71 -9.847 -14.460 3.950 1.00 0.00 C ATOM 1040 C GLN A 71 -8.653 -13.621 3.506 1.00 0.00 C ATOM 1041 O GLN A 71 -7.790 -14.094 2.767 1.00 0.00 O ATOM 1042 CB GLN A 71 -11.080 -14.091 3.124 1.00 0.00 C ATOM 1043 CG GLN A 71 -12.124 -15.194 3.062 1.00 0.00 C ATOM 1044 CD GLN A 71 -13.358 -14.786 2.281 1.00 0.00 C ATOM 1045 OE1 GLN A 71 -14.449 -14.666 2.840 1.00 0.00 O ATOM 1046 NE2 GLN A 71 -13.192 -14.570 0.982 1.00 0.00 N ATOM 0 H GLN A 71 -11.043 -13.902 5.580 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.609 -15.511 3.786 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.535 -13.195 3.546 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.766 -13.842 2.110 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.685 -16.080 2.603 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.415 -15.471 4.075 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.270 -14.681 0.560 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.986 -14.293 0.405 1.00 0.00 H new ATOM 1055 N ILE A 72 -8.610 -12.374 3.962 1.00 0.00 N ATOM 1056 CA ILE A 72 -7.523 -11.469 3.612 1.00 0.00 C ATOM 1057 C ILE A 72 -6.232 -11.859 4.323 1.00 0.00 C ATOM 1058 O ILE A 72 -6.261 -12.423 5.417 1.00 0.00 O ATOM 1059 CB ILE A 72 -7.869 -10.010 3.964 1.00 0.00 C ATOM 1060 CG1 ILE A 72 -8.268 -9.898 5.437 1.00 0.00 C ATOM 1061 CG2 ILE A 72 -8.986 -9.499 3.066 1.00 0.00 C ATOM 1062 CD1 ILE A 72 -8.090 -8.508 6.006 1.00 0.00 C ATOM 0 H ILE A 72 -9.316 -11.967 4.575 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.380 -11.550 2.534 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.986 -9.393 3.799 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.311 -10.196 5.546 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.673 -10.600 6.021 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.219 -8.467 3.327 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.667 -9.547 2.025 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.874 -10.117 3.202 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -8.392 -8.502 7.053 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.043 -8.214 5.928 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.707 -7.804 5.447 1.00 0.00 H new ATOM 1074 N ARG A 73 -5.101 -11.557 3.695 1.00 0.00 N ATOM 1075 CA ARG A 73 -3.799 -11.877 4.268 1.00 0.00 C ATOM 1076 C ARG A 73 -2.867 -10.669 4.211 1.00 0.00 C ATOM 1077 O ARG A 73 -2.982 -9.827 3.319 1.00 0.00 O ATOM 1078 CB ARG A 73 -3.170 -13.057 3.526 1.00 0.00 C ATOM 1079 CG ARG A 73 -4.109 -14.243 3.361 1.00 0.00 C ATOM 1080 CD ARG A 73 -4.374 -14.554 1.894 1.00 0.00 C ATOM 1081 NE ARG A 73 -4.038 -15.937 1.560 1.00 0.00 N ATOM 1082 CZ ARG A 73 -3.835 -16.369 0.317 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -3.935 -15.533 -0.709 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -3.531 -17.642 0.102 1.00 0.00 N ATOM 0 H ARG A 73 -5.060 -11.091 2.789 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.946 -12.150 5.313 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.843 -12.723 2.541 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.280 -13.381 4.065 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.678 -15.119 3.846 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.053 -14.032 3.864 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.425 -14.371 1.668 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.791 -13.878 1.269 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.954 -16.609 2.323 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.169 -14.553 -0.548 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.778 -15.870 -1.659 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.453 -18.288 0.888 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.375 -17.975 -0.849 1.00 0.00 H new ATOM 1098 N PRO A 74 -1.925 -10.569 5.165 1.00 0.00 N ATOM 1099 CA PRO A 74 -0.971 -9.457 5.219 1.00 0.00 C ATOM 1100 C PRO A 74 0.083 -9.545 4.120 1.00 0.00 C ATOM 1101 O PRO A 74 0.727 -10.579 3.944 1.00 0.00 O ATOM 1102 CB PRO A 74 -0.321 -9.617 6.594 1.00 0.00 C ATOM 1103 CG PRO A 74 -0.432 -11.071 6.897 1.00 0.00 C ATOM 1104 CD PRO A 74 -1.718 -11.531 6.265 1.00 0.00 C ATOM 0 HA PRO A 74 -1.458 -8.493 5.071 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.720 -9.294 6.580 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.832 -9.016 7.346 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.419 -11.620 6.493 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.442 -11.245 7.973 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.640 -12.553 5.895 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.544 -11.512 6.976 1.00 0.00 H new ATOM 1112 N ASN A 75 0.253 -8.452 3.383 1.00 0.00 N ATOM 1113 CA ASN A 75 1.231 -8.406 2.301 1.00 0.00 C ATOM 1114 C ASN A 75 2.641 -8.216 2.851 1.00 0.00 C ATOM 1115 O ASN A 75 3.077 -7.091 3.094 1.00 0.00 O ATOM 1116 CB ASN A 75 0.895 -7.274 1.328 1.00 0.00 C ATOM 1117 CG ASN A 75 1.649 -7.395 0.019 1.00 0.00 C ATOM 1118 OD1 ASN A 75 2.746 -7.954 -0.029 1.00 0.00 O ATOM 1119 ND2 ASN A 75 1.066 -6.871 -1.052 1.00 0.00 N ATOM 0 H ASN A 75 -0.272 -7.588 3.515 1.00 0.00 H new ATOM 0 HA ASN A 75 1.192 -9.357 1.769 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.177 -7.276 1.129 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.131 -6.317 1.793 1.00 0.00 H new ATOM 0 HD21 ASN A 75 1.527 -6.922 -1.960 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.157 -6.417 -0.967 1.00 0.00 H new ATOM 1126 N THR A 76 3.348 -9.324 3.045 1.00 0.00 N ATOM 1127 CA THR A 76 4.709 -9.282 3.566 1.00 0.00 C ATOM 1128 C THR A 76 5.649 -8.596 2.580 1.00 0.00 C ATOM 1129 O THR A 76 6.498 -7.795 2.972 1.00 0.00 O ATOM 1130 CB THR A 76 5.208 -10.697 3.864 1.00 0.00 C ATOM 1131 OG1 THR A 76 4.119 -11.581 4.065 1.00 0.00 O ATOM 1132 CG2 THR A 76 6.094 -10.774 5.087 1.00 0.00 C ATOM 0 H THR A 76 3.001 -10.263 2.849 1.00 0.00 H new ATOM 0 HA THR A 76 4.699 -8.706 4.491 1.00 0.00 H new ATOM 0 HB THR A 76 5.795 -10.986 2.992 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.459 -12.481 4.253 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.413 -11.805 5.241 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.970 -10.141 4.942 1.00 0.00 H new ATOM 0 HG23 THR A 76 5.539 -10.431 5.960 1.00 0.00 H new ATOM 1140 N GLU A 77 5.492 -8.916 1.300 1.00 0.00 N ATOM 1141 CA GLU A 77 6.328 -8.329 0.258 1.00 0.00 C ATOM 1142 C GLU A 77 6.172 -6.813 0.225 1.00 0.00 C ATOM 1143 O GLU A 77 7.120 -6.088 -0.079 1.00 0.00 O ATOM 1144 CB GLU A 77 5.967 -8.920 -1.107 1.00 0.00 C ATOM 1145 CG GLU A 77 6.754 -10.173 -1.455 1.00 0.00 C ATOM 1146 CD GLU A 77 5.994 -11.100 -2.381 1.00 0.00 C ATOM 1147 OE1 GLU A 77 4.809 -11.379 -2.101 1.00 0.00 O ATOM 1148 OE2 GLU A 77 6.583 -11.549 -3.388 1.00 0.00 O ATOM 0 H GLU A 77 4.795 -9.578 0.959 1.00 0.00 H new ATOM 0 HA GLU A 77 7.368 -8.564 0.485 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.902 -9.154 -1.122 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.139 -8.167 -1.876 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.695 -9.888 -1.925 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.004 -10.707 -0.538 1.00 0.00 H new ATOM 1155 N LEU A 78 4.971 -6.340 0.540 1.00 0.00 N ATOM 1156 CA LEU A 78 4.689 -4.909 0.545 1.00 0.00 C ATOM 1157 C LEU A 78 5.174 -4.263 1.839 1.00 0.00 C ATOM 1158 O LEU A 78 5.727 -3.164 1.827 1.00 0.00 O ATOM 1159 CB LEU A 78 3.190 -4.663 0.369 1.00 0.00 C ATOM 1160 CG LEU A 78 2.799 -3.205 0.115 1.00 0.00 C ATOM 1161 CD1 LEU A 78 3.525 -2.664 -1.106 1.00 0.00 C ATOM 1162 CD2 LEU A 78 1.293 -3.082 -0.058 1.00 0.00 C ATOM 0 H LEU A 78 4.177 -6.927 0.795 1.00 0.00 H new ATOM 0 HA LEU A 78 5.225 -4.456 -0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.833 -5.269 -0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.672 -5.012 1.263 1.00 0.00 H new ATOM 0 HG LEU A 78 3.095 -2.611 0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.235 -1.626 -1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.601 -2.718 -0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.260 -3.259 -1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.031 -2.039 -0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.974 -3.688 -0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.793 -3.431 0.846 1.00 0.00 H new ATOM 1174 N LYS A 79 4.961 -4.953 2.956 1.00 0.00 N ATOM 1175 CA LYS A 79 5.376 -4.447 4.260 1.00 0.00 C ATOM 1176 C LYS A 79 6.876 -4.171 4.288 1.00 0.00 C ATOM 1177 O LYS A 79 7.323 -3.177 4.859 1.00 0.00 O ATOM 1178 CB LYS A 79 5.008 -5.446 5.359 1.00 0.00 C ATOM 1179 CG LYS A 79 4.613 -4.789 6.671 1.00 0.00 C ATOM 1180 CD LYS A 79 5.179 -5.541 7.865 1.00 0.00 C ATOM 1181 CE LYS A 79 4.569 -5.056 9.170 1.00 0.00 C ATOM 1182 NZ LYS A 79 5.035 -5.857 10.335 1.00 0.00 N ATOM 0 H LYS A 79 4.503 -5.864 2.984 1.00 0.00 H new ATOM 0 HA LYS A 79 4.851 -3.509 4.440 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.184 -6.068 5.011 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.855 -6.109 5.535 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.971 -3.760 6.685 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.526 -4.750 6.747 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.989 -6.608 7.748 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.261 -5.412 7.898 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.827 -4.008 9.324 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.482 -5.110 9.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.595 -5.493 11.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.766 -6.853 10.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.070 -5.785 10.414 1.00 0.00 H new ATOM 1196 N GLU A 80 7.646 -5.059 3.668 1.00 0.00 N ATOM 1197 CA GLU A 80 9.096 -4.911 3.622 1.00 0.00 C ATOM 1198 C GLU A 80 9.494 -3.708 2.771 1.00 0.00 C ATOM 1199 O GLU A 80 10.519 -3.074 3.017 1.00 0.00 O ATOM 1200 CB GLU A 80 9.742 -6.181 3.065 1.00 0.00 C ATOM 1201 CG GLU A 80 9.559 -7.398 3.958 1.00 0.00 C ATOM 1202 CD GLU A 80 10.675 -8.412 3.794 1.00 0.00 C ATOM 1203 OE1 GLU A 80 10.918 -8.847 2.649 1.00 0.00 O ATOM 1204 OE2 GLU A 80 11.303 -8.772 4.811 1.00 0.00 O ATOM 0 H GLU A 80 7.291 -5.888 3.191 1.00 0.00 H new ATOM 0 HA GLU A 80 9.452 -4.747 4.639 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.318 -6.394 2.083 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.808 -6.003 2.921 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.514 -7.077 4.999 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.605 -7.872 3.729 1.00 0.00 H new ATOM 1211 N LYS A 81 8.677 -3.403 1.769 1.00 0.00 N ATOM 1212 CA LYS A 81 8.943 -2.277 0.881 1.00 0.00 C ATOM 1213 C LYS A 81 8.746 -0.951 1.610 1.00 0.00 C ATOM 1214 O LYS A 81 9.432 0.031 1.329 1.00 0.00 O ATOM 1215 CB LYS A 81 8.029 -2.339 -0.343 1.00 0.00 C ATOM 1216 CG LYS A 81 8.442 -3.393 -1.358 1.00 0.00 C ATOM 1217 CD LYS A 81 7.406 -3.540 -2.460 1.00 0.00 C ATOM 1218 CE LYS A 81 7.287 -4.983 -2.925 1.00 0.00 C ATOM 1219 NZ LYS A 81 5.867 -5.400 -3.088 1.00 0.00 N ATOM 0 H LYS A 81 7.825 -3.920 1.551 1.00 0.00 H new ATOM 0 HA LYS A 81 9.981 -2.341 0.555 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.010 -2.542 -0.015 1.00 0.00 H new ATOM 0 HB3 LYS A 81 8.019 -1.363 -0.829 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.403 -3.122 -1.795 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.578 -4.350 -0.855 1.00 0.00 H new ATOM 0 HD2 LYS A 81 6.438 -3.192 -2.099 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.679 -2.906 -3.304 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.811 -5.103 -3.873 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.777 -5.638 -2.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 5.826 -6.291 -3.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.436 -5.539 -2.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.345 -4.662 -3.603 1.00 0.00 H new ATOM 1233 N ILE A 82 7.803 -0.931 2.545 1.00 0.00 N ATOM 1234 CA ILE A 82 7.516 0.274 3.314 1.00 0.00 C ATOM 1235 C ILE A 82 8.630 0.566 4.314 1.00 0.00 C ATOM 1236 O ILE A 82 8.928 1.723 4.606 1.00 0.00 O ATOM 1237 CB ILE A 82 6.179 0.154 4.072 1.00 0.00 C ATOM 1238 CG1 ILE A 82 5.065 -0.290 3.120 1.00 0.00 C ATOM 1239 CG2 ILE A 82 5.821 1.477 4.731 1.00 0.00 C ATOM 1240 CD1 ILE A 82 3.880 -0.912 3.826 1.00 0.00 C ATOM 0 H ILE A 82 7.225 -1.735 2.789 1.00 0.00 H new ATOM 0 HA ILE A 82 7.447 1.095 2.600 1.00 0.00 H new ATOM 0 HB ILE A 82 6.289 -0.600 4.852 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.724 0.571 2.545 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.471 -1.008 2.408 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.874 1.375 5.262 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.604 1.756 5.436 1.00 0.00 H new ATOM 0 HG23 ILE A 82 5.727 2.250 3.968 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.130 -1.203 3.091 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.207 -1.793 4.379 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.448 -0.189 4.518 1.00 0.00 H new ATOM 1252 N GLN A 83 9.242 -0.493 4.835 1.00 0.00 N ATOM 1253 CA GLN A 83 10.323 -0.349 5.803 1.00 0.00 C ATOM 1254 C GLN A 83 11.575 0.217 5.139 1.00 0.00 C ATOM 1255 O GLN A 83 12.357 0.926 5.772 1.00 0.00 O ATOM 1256 CB GLN A 83 10.641 -1.700 6.448 1.00 0.00 C ATOM 1257 CG GLN A 83 9.407 -2.467 6.892 1.00 0.00 C ATOM 1258 CD GLN A 83 9.539 -3.021 8.299 1.00 0.00 C ATOM 1259 OE1 GLN A 83 10.488 -3.740 8.609 1.00 0.00 O ATOM 1260 NE2 GLN A 83 8.583 -2.686 9.157 1.00 0.00 N ATOM 0 H GLN A 83 9.008 -1.458 4.603 1.00 0.00 H new ATOM 0 HA GLN A 83 9.996 0.347 6.575 1.00 0.00 H new ATOM 0 HB2 GLN A 83 11.201 -2.309 5.739 1.00 0.00 H new ATOM 0 HB3 GLN A 83 11.288 -1.538 7.310 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.539 -1.810 6.844 1.00 0.00 H new ATOM 0 HG3 GLN A 83 9.224 -3.287 6.198 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.814 -2.087 8.856 1.00 0.00 H new ATOM 0 HE22 GLN A 83 8.617 -3.028 10.117 1.00 0.00 H new ATOM 1269 N ARG A 84 11.758 -0.100 3.862 1.00 0.00 N ATOM 1270 CA ARG A 84 12.915 0.379 3.114 1.00 0.00 C ATOM 1271 C ARG A 84 12.844 1.889 2.909 1.00 0.00 C ATOM 1272 O ARG A 84 13.867 2.573 2.913 1.00 0.00 O ATOM 1273 CB ARG A 84 13.001 -0.328 1.759 1.00 0.00 C ATOM 1274 CG ARG A 84 14.388 -0.286 1.139 1.00 0.00 C ATOM 1275 CD ARG A 84 14.670 -1.532 0.315 1.00 0.00 C ATOM 1276 NE ARG A 84 14.672 -1.253 -1.118 1.00 0.00 N ATOM 1277 CZ ARG A 84 15.568 -0.474 -1.721 1.00 0.00 C ATOM 1278 NH1 ARG A 84 16.535 0.104 -1.019 1.00 0.00 N ATOM 1279 NH2 ARG A 84 15.498 -0.275 -3.030 1.00 0.00 N ATOM 0 H ARG A 84 11.120 -0.686 3.323 1.00 0.00 H new ATOM 0 HA ARG A 84 13.810 0.151 3.693 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.698 -1.368 1.881 1.00 0.00 H new ATOM 0 HB3 ARG A 84 12.291 0.133 1.072 1.00 0.00 H new ATOM 0 HG2 ARG A 84 14.478 0.597 0.507 1.00 0.00 H new ATOM 0 HG3 ARG A 84 15.136 -0.192 1.926 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.635 -1.947 0.605 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.918 -2.290 0.535 1.00 0.00 H new ATOM 0 HE ARG A 84 13.944 -1.680 -1.691 1.00 0.00 H new ATOM 0 HH11 ARG A 84 16.595 -0.048 -0.012 1.00 0.00 H new ATOM 0 HH12 ARG A 84 17.218 0.700 -1.487 1.00 0.00 H new ATOM 0 HH21 ARG A 84 14.758 -0.718 -3.574 1.00 0.00 H new ATOM 0 HH22 ARG A 84 16.184 0.322 -3.493 1.00 0.00 H new ATOM 1293 N TRP A 85 11.631 2.401 2.731 1.00 0.00 N ATOM 1294 CA TRP A 85 11.428 3.829 2.524 1.00 0.00 C ATOM 1295 C TRP A 85 11.360 4.568 3.858 1.00 0.00 C ATOM 1296 O TRP A 85 11.917 5.656 4.004 1.00 0.00 O ATOM 1297 CB TRP A 85 10.146 4.074 1.724 1.00 0.00 C ATOM 1298 CG TRP A 85 9.879 5.524 1.456 1.00 0.00 C ATOM 1299 CD1 TRP A 85 10.572 6.342 0.610 1.00 0.00 C ATOM 1300 CD2 TRP A 85 8.846 6.327 2.037 1.00 0.00 C ATOM 1301 NE1 TRP A 85 10.031 7.606 0.630 1.00 0.00 N ATOM 1302 CE2 TRP A 85 8.972 7.622 1.498 1.00 0.00 C ATOM 1303 CE3 TRP A 85 7.827 6.078 2.960 1.00 0.00 C ATOM 1304 CZ2 TRP A 85 8.116 8.662 1.853 1.00 0.00 C ATOM 1305 CZ3 TRP A 85 6.978 7.112 3.312 1.00 0.00 C ATOM 1306 CH2 TRP A 85 7.128 8.389 2.759 1.00 0.00 C ATOM 0 H TRP A 85 10.774 1.848 2.726 1.00 0.00 H new ATOM 0 HA TRP A 85 12.278 4.213 1.960 1.00 0.00 H new ATOM 0 HB2 TRP A 85 10.212 3.543 0.774 1.00 0.00 H new ATOM 0 HB3 TRP A 85 9.301 3.651 2.268 1.00 0.00 H new ATOM 0 HD1 TRP A 85 11.420 6.040 0.013 1.00 0.00 H new ATOM 0 HE1 TRP A 85 10.364 8.402 0.087 1.00 0.00 H new ATOM 0 HE3 TRP A 85 7.704 5.095 3.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 8.228 9.649 1.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 6.187 6.931 4.025 1.00 0.00 H new ATOM 0 HH2 TRP A 85 6.449 9.176 3.054 1.00 0.00 H new