USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=18 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 63 ASN : amide:sc= 0.543 K(o=1.5,f=-1.1!) USER MOD Set 1.2: A 65 SER OG : rot 102:sc= 0.912 USER MOD Single : A 28 MET CE :methyl 150:sc= -0.521 (180deg=-2.03!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.206 USER MOD Single : A 32 MET CE :methyl 172:sc= 0 (180deg=-0.0628) 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 122:sc= -1.45 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 -170:sc= -1.46 USER MOD Single : A 53 HIS : no HE2:sc= -1.28 K(o=-1.3,f=-2.8!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.957 USER MOD Single : A 69 MET CE :methyl 157:sc= -1.42 (180deg=-2.66!) USER MOD Single : A 71 GLN : amide:sc= -1.22 K(o=-1.2,f=-1.8!) USER MOD Single : A 75 ASN : amide:sc= -4.15 K(o=-4.2,f=-6.1!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0919 USER MOD Single : A 79 LYS NZ :NH3+ -178:sc= 0.391 (180deg=0.336) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.362 K(o=-0.36,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 288 N PHE A 23 2.726 2.695 -1.838 1.00 0.00 N ATOM 289 CA PHE A 23 2.538 2.782 -0.395 1.00 0.00 C ATOM 290 C PHE A 23 1.202 3.437 -0.056 1.00 0.00 C ATOM 291 O PHE A 23 0.589 3.127 0.965 1.00 0.00 O ATOM 292 CB PHE A 23 3.682 3.573 0.242 1.00 0.00 C ATOM 293 CG PHE A 23 5.040 2.992 -0.033 1.00 0.00 C ATOM 294 CD1 PHE A 23 5.261 1.629 0.078 1.00 0.00 C ATOM 295 CD2 PHE A 23 6.097 3.811 -0.400 1.00 0.00 C ATOM 296 CE1 PHE A 23 6.509 1.092 -0.174 1.00 0.00 C ATOM 297 CE2 PHE A 23 7.348 3.280 -0.652 1.00 0.00 C ATOM 298 CZ PHE A 23 7.554 1.918 -0.538 1.00 0.00 C ATOM 0 HA PHE A 23 2.536 1.769 0.007 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.653 4.598 -0.127 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.526 3.617 1.320 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.448 0.978 0.365 1.00 0.00 H new ATOM 0 HD2 PHE A 23 5.941 4.876 -0.490 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.667 0.027 -0.086 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.163 3.928 -0.938 1.00 0.00 H new ATOM 0 HZ PHE A 23 8.531 1.500 -0.733 1.00 0.00 H new ATOM 308 N LEU A 24 0.757 4.344 -0.920 1.00 0.00 N ATOM 309 CA LEU A 24 -0.507 5.042 -0.710 1.00 0.00 C ATOM 310 C LEU A 24 -1.689 4.096 -0.890 1.00 0.00 C ATOM 311 O LEU A 24 -1.654 3.194 -1.728 1.00 0.00 O ATOM 312 CB LEU A 24 -0.631 6.219 -1.680 1.00 0.00 C ATOM 313 CG LEU A 24 0.088 7.497 -1.244 1.00 0.00 C ATOM 314 CD1 LEU A 24 0.213 8.463 -2.411 1.00 0.00 C ATOM 315 CD2 LEU A 24 -0.649 8.151 -0.085 1.00 0.00 C ATOM 0 H LEU A 24 1.252 4.613 -1.771 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.518 5.418 0.313 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.239 5.913 -2.650 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.688 6.445 -1.820 1.00 0.00 H new ATOM 0 HG LEU A 24 1.091 7.232 -0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.727 9.366 -2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.782 7.993 -3.213 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.781 8.723 -2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.125 9.059 0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.663 8.403 -0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.688 7.461 0.758 1.00 0.00 H new ATOM 327 N ASP A 25 -2.736 4.307 -0.099 1.00 0.00 N ATOM 328 CA ASP A 25 -3.930 3.474 -0.171 1.00 0.00 C ATOM 329 C ASP A 25 -4.803 3.880 -1.358 1.00 0.00 C ATOM 330 O ASP A 25 -4.939 5.065 -1.660 1.00 0.00 O ATOM 331 CB ASP A 25 -4.731 3.581 1.128 1.00 0.00 C ATOM 332 CG ASP A 25 -5.324 2.253 1.554 1.00 0.00 C ATOM 333 OD1 ASP A 25 -4.634 1.497 2.270 1.00 0.00 O ATOM 334 OD2 ASP A 25 -6.477 1.967 1.171 1.00 0.00 O ATOM 0 H ASP A 25 -2.781 5.049 0.600 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.616 2.440 -0.310 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.084 3.957 1.920 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.532 4.308 0.998 1.00 0.00 H new ATOM 339 N PRO A 26 -5.409 2.899 -2.050 1.00 0.00 N ATOM 340 CA PRO A 26 -6.270 3.166 -3.208 1.00 0.00 C ATOM 341 C PRO A 26 -7.583 3.836 -2.814 1.00 0.00 C ATOM 342 O PRO A 26 -8.185 4.557 -3.609 1.00 0.00 O ATOM 343 CB PRO A 26 -6.533 1.775 -3.787 1.00 0.00 C ATOM 344 CG PRO A 26 -6.367 0.846 -2.636 1.00 0.00 C ATOM 345 CD PRO A 26 -5.303 1.455 -1.763 1.00 0.00 C ATOM 0 HA PRO A 26 -5.801 3.853 -3.912 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.535 1.706 -4.210 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.832 1.541 -4.588 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.303 0.731 -2.089 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.072 -0.147 -2.975 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.478 1.241 -0.709 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.313 1.069 -2.007 1.00 0.00 H new ATOM 353 N ILE A 27 -8.021 3.592 -1.584 1.00 0.00 N ATOM 354 CA ILE A 27 -9.264 4.170 -1.088 1.00 0.00 C ATOM 355 C ILE A 27 -8.989 5.295 -0.094 1.00 0.00 C ATOM 356 O ILE A 27 -9.437 6.426 -0.283 1.00 0.00 O ATOM 357 CB ILE A 27 -10.146 3.106 -0.408 1.00 0.00 C ATOM 358 CG1 ILE A 27 -10.276 1.872 -1.303 1.00 0.00 C ATOM 359 CG2 ILE A 27 -11.517 3.681 -0.087 1.00 0.00 C ATOM 360 CD1 ILE A 27 -10.778 0.646 -0.572 1.00 0.00 C ATOM 0 H ILE A 27 -7.534 2.998 -0.913 1.00 0.00 H new ATOM 0 HA ILE A 27 -9.793 4.572 -1.952 1.00 0.00 H new ATOM 0 HB ILE A 27 -9.672 2.805 0.526 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.955 2.099 -2.125 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.305 1.649 -1.745 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -12.129 2.917 0.393 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -11.406 4.532 0.585 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -12.000 4.006 -1.008 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -10.846 -0.190 -1.268 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.087 0.394 0.232 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -11.763 0.850 -0.153 1.00 0.00 H new ATOM 372 N MET A 28 -8.252 4.975 0.964 1.00 0.00 N ATOM 373 CA MET A 28 -7.919 5.957 1.989 1.00 0.00 C ATOM 374 C MET A 28 -7.042 7.069 1.419 1.00 0.00 C ATOM 375 O MET A 28 -7.052 8.195 1.918 1.00 0.00 O ATOM 376 CB MET A 28 -7.204 5.278 3.159 1.00 0.00 C ATOM 377 CG MET A 28 -8.150 4.687 4.190 1.00 0.00 C ATOM 378 SD MET A 28 -8.593 5.863 5.483 1.00 0.00 S ATOM 379 CE MET A 28 -9.980 6.699 4.719 1.00 0.00 C ATOM 0 H MET A 28 -7.874 4.043 1.134 1.00 0.00 H new ATOM 0 HA MET A 28 -8.848 6.401 2.345 1.00 0.00 H new ATOM 0 HB2 MET A 28 -6.562 4.487 2.772 1.00 0.00 H new ATOM 0 HB3 MET A 28 -6.555 6.004 3.648 1.00 0.00 H new ATOM 0 HG2 MET A 28 -9.056 4.344 3.691 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.685 3.812 4.644 1.00 0.00 H new ATOM 0 HE1 MET A 28 -10.673 7.035 5.491 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.620 7.560 4.155 1.00 0.00 H new ATOM 0 HE3 MET A 28 -10.493 6.012 4.045 1.00 0.00 H new ATOM 389 N SER A 29 -6.285 6.747 0.375 1.00 0.00 N ATOM 390 CA SER A 29 -5.404 7.721 -0.258 1.00 0.00 C ATOM 391 C SER A 29 -4.358 8.227 0.729 1.00 0.00 C ATOM 392 O SER A 29 -3.921 9.376 0.653 1.00 0.00 O ATOM 393 CB SER A 29 -6.216 8.897 -0.805 1.00 0.00 C ATOM 394 OG SER A 29 -5.686 9.353 -2.038 1.00 0.00 O ATOM 0 H SER A 29 -6.264 5.820 -0.050 1.00 0.00 H new ATOM 0 HA SER A 29 -4.892 7.228 -1.084 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.254 8.594 -0.942 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.214 9.712 -0.081 1.00 0.00 H new ATOM 0 HG SER A 29 -6.223 10.104 -2.367 1.00 0.00 H new ATOM 400 N THR A 30 -3.959 7.362 1.656 1.00 0.00 N ATOM 401 CA THR A 30 -2.964 7.718 2.660 1.00 0.00 C ATOM 402 C THR A 30 -1.893 6.638 2.771 1.00 0.00 C ATOM 403 O THR A 30 -1.921 5.645 2.045 1.00 0.00 O ATOM 404 CB THR A 30 -3.633 7.932 4.018 1.00 0.00 C ATOM 405 OG1 THR A 30 -4.388 6.793 4.389 1.00 0.00 O ATOM 406 CG2 THR A 30 -4.560 9.129 4.048 1.00 0.00 C ATOM 0 H THR A 30 -4.311 6.408 1.732 1.00 0.00 H new ATOM 0 HA THR A 30 -2.486 8.647 2.349 1.00 0.00 H new ATOM 0 HB THR A 30 -2.816 8.110 4.718 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.807 6.948 5.261 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.001 9.223 5.040 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.996 10.032 3.815 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.351 8.995 3.310 1.00 0.00 H new ATOM 414 N LEU A 31 -0.949 6.841 3.685 1.00 0.00 N ATOM 415 CA LEU A 31 0.132 5.883 3.891 1.00 0.00 C ATOM 416 C LEU A 31 -0.413 4.541 4.365 1.00 0.00 C ATOM 417 O LEU A 31 -1.370 4.485 5.139 1.00 0.00 O ATOM 418 CB LEU A 31 1.135 6.429 4.910 1.00 0.00 C ATOM 419 CG LEU A 31 2.447 5.649 5.010 1.00 0.00 C ATOM 420 CD1 LEU A 31 3.252 5.793 3.728 1.00 0.00 C ATOM 421 CD2 LEU A 31 3.257 6.121 6.207 1.00 0.00 C ATOM 0 H LEU A 31 -0.911 7.659 4.294 1.00 0.00 H new ATOM 0 HA LEU A 31 0.638 5.731 2.937 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.364 7.463 4.653 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.662 6.441 5.892 1.00 0.00 H new ATOM 0 HG LEU A 31 2.211 4.594 5.150 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.182 5.232 3.817 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.673 5.405 2.890 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.479 6.845 3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.187 5.555 6.263 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.483 7.182 6.098 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.682 5.965 7.120 1.00 0.00 H new ATOM 433 N MET A 32 0.201 3.460 3.897 1.00 0.00 N ATOM 434 CA MET A 32 -0.223 2.115 4.273 1.00 0.00 C ATOM 435 C MET A 32 0.779 1.477 5.230 1.00 0.00 C ATOM 436 O MET A 32 1.942 1.272 4.882 1.00 0.00 O ATOM 437 CB MET A 32 -0.384 1.241 3.028 1.00 0.00 C ATOM 438 CG MET A 32 -1.645 1.541 2.233 1.00 0.00 C ATOM 439 SD MET A 32 -2.242 0.108 1.315 1.00 0.00 S ATOM 440 CE MET A 32 -0.989 -0.027 0.042 1.00 0.00 C ATOM 0 H MET A 32 0.994 3.488 3.256 1.00 0.00 H new ATOM 0 HA MET A 32 -1.185 2.193 4.780 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.484 1.379 2.383 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.395 0.193 3.329 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.426 1.884 2.912 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.447 2.357 1.538 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.139 -0.949 -0.520 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.063 0.825 -0.633 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.002 -0.039 0.503 1.00 0.00 H new ATOM 450 N CYS A 33 0.319 1.163 6.438 1.00 0.00 N ATOM 451 CA CYS A 33 1.174 0.546 7.444 1.00 0.00 C ATOM 452 C CYS A 33 1.106 -0.974 7.359 1.00 0.00 C ATOM 453 O CYS A 33 2.129 -1.646 7.233 1.00 0.00 O ATOM 454 CB CYS A 33 0.767 1.009 8.844 1.00 0.00 C ATOM 455 SG CYS A 33 2.133 1.079 10.026 1.00 0.00 S ATOM 0 H CYS A 33 -0.641 1.326 6.743 1.00 0.00 H new ATOM 0 HA CYS A 33 2.201 0.857 7.251 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.314 1.998 8.770 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.002 0.335 9.229 1.00 0.00 H new ATOM 0 HG CYS A 33 1.689 1.483 11.179 1.00 0.00 H new ATOM 461 N ASP A 34 -0.108 -1.511 7.427 1.00 0.00 N ATOM 462 CA ASP A 34 -0.314 -2.953 7.357 1.00 0.00 C ATOM 463 C ASP A 34 -1.179 -3.321 6.154 1.00 0.00 C ATOM 464 O ASP A 34 -2.359 -3.640 6.301 1.00 0.00 O ATOM 465 CB ASP A 34 -0.965 -3.460 8.645 1.00 0.00 C ATOM 466 CG ASP A 34 -0.059 -3.309 9.851 1.00 0.00 C ATOM 467 OD1 ASP A 34 0.051 -2.181 10.374 1.00 0.00 O ATOM 468 OD2 ASP A 34 0.541 -4.320 10.272 1.00 0.00 O ATOM 0 H ASP A 34 -0.965 -0.968 7.531 1.00 0.00 H new ATOM 0 HA ASP A 34 0.659 -3.429 7.240 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.892 -2.913 8.820 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.232 -4.510 8.524 1.00 0.00 H new ATOM 473 N PRO A 35 -0.601 -3.279 4.940 1.00 0.00 N ATOM 474 CA PRO A 35 -1.325 -3.609 3.709 1.00 0.00 C ATOM 475 C PRO A 35 -1.626 -5.099 3.594 1.00 0.00 C ATOM 476 O PRO A 35 -0.735 -5.935 3.735 1.00 0.00 O ATOM 477 CB PRO A 35 -0.361 -3.171 2.605 1.00 0.00 C ATOM 478 CG PRO A 35 0.989 -3.261 3.226 1.00 0.00 C ATOM 479 CD PRO A 35 0.802 -2.908 4.676 1.00 0.00 C ATOM 0 HA PRO A 35 -2.298 -3.120 3.664 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.439 -3.818 1.731 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.576 -2.156 2.271 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.402 -4.264 3.119 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.687 -2.576 2.744 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.491 -3.460 5.316 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.978 -1.848 4.857 1.00 0.00 H new ATOM 487 N VAL A 36 -2.889 -5.424 3.337 1.00 0.00 N ATOM 488 CA VAL A 36 -3.309 -6.813 3.201 1.00 0.00 C ATOM 489 C VAL A 36 -3.787 -7.106 1.784 1.00 0.00 C ATOM 490 O VAL A 36 -4.467 -6.287 1.166 1.00 0.00 O ATOM 491 CB VAL A 36 -4.436 -7.160 4.192 1.00 0.00 C ATOM 492 CG1 VAL A 36 -3.919 -7.129 5.622 1.00 0.00 C ATOM 493 CG2 VAL A 36 -5.609 -6.207 4.020 1.00 0.00 C ATOM 0 H VAL A 36 -3.639 -4.743 3.219 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.438 -7.429 3.423 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.784 -8.171 3.979 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.730 -7.377 6.307 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.114 -7.856 5.734 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.542 -6.132 5.851 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.396 -6.467 4.728 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.278 -5.185 4.205 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.995 -6.285 3.004 1.00 0.00 H new ATOM 503 N VAL A 37 -3.425 -8.278 1.272 1.00 0.00 N ATOM 504 CA VAL A 37 -3.817 -8.679 -0.073 1.00 0.00 C ATOM 505 C VAL A 37 -5.182 -9.360 -0.070 1.00 0.00 C ATOM 506 O VAL A 37 -5.404 -10.323 0.665 1.00 0.00 O ATOM 507 CB VAL A 37 -2.783 -9.634 -0.698 1.00 0.00 C ATOM 508 CG1 VAL A 37 -3.102 -9.881 -2.165 1.00 0.00 C ATOM 509 CG2 VAL A 37 -1.376 -9.078 -0.537 1.00 0.00 C ATOM 0 H VAL A 37 -2.860 -8.967 1.769 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.869 -7.769 -0.670 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.834 -10.588 -0.173 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.361 -10.558 -2.590 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.093 -10.327 -2.252 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.081 -8.935 -2.706 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.659 -9.766 -0.985 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.308 -8.110 -1.034 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.151 -8.959 0.523 1.00 0.00 H new ATOM 519 N LEU A 38 -6.090 -8.853 -0.895 1.00 0.00 N ATOM 520 CA LEU A 38 -7.433 -9.414 -0.990 1.00 0.00 C ATOM 521 C LEU A 38 -7.450 -10.625 -1.923 1.00 0.00 C ATOM 522 O LEU A 38 -7.068 -10.522 -3.087 1.00 0.00 O ATOM 523 CB LEU A 38 -8.415 -8.353 -1.493 1.00 0.00 C ATOM 524 CG LEU A 38 -8.407 -7.041 -0.705 1.00 0.00 C ATOM 525 CD1 LEU A 38 -8.977 -5.910 -1.548 1.00 0.00 C ATOM 526 CD2 LEU A 38 -9.193 -7.191 0.588 1.00 0.00 C ATOM 0 H LEU A 38 -5.922 -8.055 -1.508 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.738 -9.739 0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.188 -8.134 -2.536 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.422 -8.769 -1.467 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.375 -6.796 -0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.964 -4.985 -0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.373 -5.787 -2.447 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.003 -6.147 -1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.177 -6.248 1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.224 -7.459 0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.742 -7.973 1.199 1.00 0.00 H new ATOM 538 N PRO A 39 -7.893 -11.795 -1.425 1.00 0.00 N ATOM 539 CA PRO A 39 -7.949 -13.020 -2.228 1.00 0.00 C ATOM 540 C PRO A 39 -9.088 -13.008 -3.247 1.00 0.00 C ATOM 541 O PRO A 39 -9.216 -13.929 -4.054 1.00 0.00 O ATOM 542 CB PRO A 39 -8.183 -14.112 -1.185 1.00 0.00 C ATOM 543 CG PRO A 39 -8.902 -13.423 -0.077 1.00 0.00 C ATOM 544 CD PRO A 39 -8.367 -12.017 -0.044 1.00 0.00 C ATOM 0 HA PRO A 39 -7.044 -13.156 -2.821 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.775 -14.931 -1.594 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.242 -14.540 -0.841 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.978 -13.427 -0.249 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.729 -13.928 0.873 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.139 -11.300 0.235 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.558 -11.912 0.679 1.00 0.00 H new ATOM 552 N SER A 40 -9.914 -11.967 -3.206 1.00 0.00 N ATOM 553 CA SER A 40 -11.039 -11.851 -4.128 1.00 0.00 C ATOM 554 C SER A 40 -10.765 -10.805 -5.205 1.00 0.00 C ATOM 555 O SER A 40 -10.549 -11.142 -6.369 1.00 0.00 O ATOM 556 CB SER A 40 -12.315 -11.489 -3.364 1.00 0.00 C ATOM 557 OG SER A 40 -13.029 -12.653 -2.983 1.00 0.00 O ATOM 0 H SER A 40 -9.826 -11.194 -2.546 1.00 0.00 H new ATOM 0 HA SER A 40 -11.173 -12.817 -4.616 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.060 -10.909 -2.477 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.949 -10.857 -3.987 1.00 0.00 H new ATOM 0 HG SER A 40 -13.839 -12.395 -2.495 1.00 0.00 H new ATOM 563 N SER A 41 -10.784 -9.537 -4.809 1.00 0.00 N ATOM 564 CA SER A 41 -10.545 -8.440 -5.740 1.00 0.00 C ATOM 565 C SER A 41 -9.078 -8.373 -6.163 1.00 0.00 C ATOM 566 O SER A 41 -8.747 -7.776 -7.187 1.00 0.00 O ATOM 567 CB SER A 41 -10.965 -7.111 -5.111 1.00 0.00 C ATOM 568 OG SER A 41 -10.221 -6.845 -3.935 1.00 0.00 O ATOM 0 H SER A 41 -10.963 -9.243 -3.849 1.00 0.00 H new ATOM 0 HA SER A 41 -11.146 -8.625 -6.630 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.818 -6.303 -5.828 1.00 0.00 H new ATOM 0 HB3 SER A 41 -12.029 -7.137 -4.874 1.00 0.00 H new ATOM 0 HG SER A 41 -9.750 -5.991 -4.032 1.00 0.00 H new ATOM 574 N ARG A 42 -8.201 -8.987 -5.371 1.00 0.00 N ATOM 575 CA ARG A 42 -6.772 -8.989 -5.673 1.00 0.00 C ATOM 576 C ARG A 42 -6.195 -7.580 -5.578 1.00 0.00 C ATOM 577 O ARG A 42 -5.248 -7.237 -6.286 1.00 0.00 O ATOM 578 CB ARG A 42 -6.521 -9.569 -7.068 1.00 0.00 C ATOM 579 CG ARG A 42 -6.008 -11.001 -7.047 1.00 0.00 C ATOM 580 CD ARG A 42 -6.905 -11.933 -7.846 1.00 0.00 C ATOM 581 NE ARG A 42 -7.646 -12.852 -6.985 1.00 0.00 N ATOM 582 CZ ARG A 42 -8.213 -13.977 -7.415 1.00 0.00 C ATOM 583 NH1 ARG A 42 -8.130 -14.324 -8.693 1.00 0.00 N ATOM 584 NH2 ARG A 42 -8.867 -14.757 -6.565 1.00 0.00 N ATOM 0 H ARG A 42 -8.454 -9.487 -4.519 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.271 -9.616 -4.936 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.448 -9.532 -7.640 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.799 -8.941 -7.590 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.997 -11.031 -7.454 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.947 -11.350 -6.016 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.607 -11.343 -8.436 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.299 -12.504 -8.549 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.734 -12.618 -5.996 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.630 -13.728 -9.352 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.567 -15.187 -9.016 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.936 -14.495 -5.582 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.301 -15.619 -6.895 1.00 0.00 H new ATOM 598 N VAL A 43 -6.772 -6.767 -4.698 1.00 0.00 N ATOM 599 CA VAL A 43 -6.314 -5.395 -4.510 1.00 0.00 C ATOM 600 C VAL A 43 -5.706 -5.205 -3.124 1.00 0.00 C ATOM 601 O VAL A 43 -6.316 -5.555 -2.114 1.00 0.00 O ATOM 602 CB VAL A 43 -7.464 -4.388 -4.695 1.00 0.00 C ATOM 603 CG1 VAL A 43 -6.934 -2.963 -4.691 1.00 0.00 C ATOM 604 CG2 VAL A 43 -8.223 -4.678 -5.982 1.00 0.00 C ATOM 0 H VAL A 43 -7.557 -7.035 -4.104 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.553 -5.209 -5.268 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.155 -4.495 -3.859 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.762 -2.266 -4.823 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.438 -2.762 -3.741 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.221 -2.838 -5.506 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.032 -3.957 -6.097 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.544 -4.600 -6.831 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.637 -5.685 -5.941 1.00 0.00 H new ATOM 614 N THR A 44 -4.499 -4.649 -3.084 1.00 0.00 N ATOM 615 CA THR A 44 -3.807 -4.412 -1.822 1.00 0.00 C ATOM 616 C THR A 44 -4.373 -3.188 -1.111 1.00 0.00 C ATOM 617 O THR A 44 -4.418 -2.095 -1.676 1.00 0.00 O ATOM 618 CB THR A 44 -2.308 -4.227 -2.066 1.00 0.00 C ATOM 619 OG1 THR A 44 -1.856 -5.086 -3.097 1.00 0.00 O ATOM 620 CG2 THR A 44 -1.464 -4.498 -0.839 1.00 0.00 C ATOM 0 H THR A 44 -3.980 -4.354 -3.911 1.00 0.00 H new ATOM 0 HA THR A 44 -3.960 -5.282 -1.184 1.00 0.00 H new ATOM 0 HB THR A 44 -2.189 -3.180 -2.345 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.896 -4.951 -3.238 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.412 -4.349 -1.081 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.753 -3.815 -0.040 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.619 -5.526 -0.511 1.00 0.00 H new ATOM 628 N VAL A 45 -4.802 -3.378 0.133 1.00 0.00 N ATOM 629 CA VAL A 45 -5.365 -2.290 0.923 1.00 0.00 C ATOM 630 C VAL A 45 -4.987 -2.427 2.393 1.00 0.00 C ATOM 631 O VAL A 45 -4.674 -3.520 2.864 1.00 0.00 O ATOM 632 CB VAL A 45 -6.900 -2.239 0.800 1.00 0.00 C ATOM 633 CG1 VAL A 45 -7.312 -1.929 -0.630 1.00 0.00 C ATOM 634 CG2 VAL A 45 -7.516 -3.549 1.268 1.00 0.00 C ATOM 0 H VAL A 45 -4.770 -4.276 0.615 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.948 -1.364 0.528 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.271 -1.439 1.441 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.400 -1.897 -0.697 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.902 -0.963 -0.926 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.930 -2.704 -1.295 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.601 -3.495 1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.139 -4.368 0.655 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.250 -3.724 2.311 1.00 0.00 H new ATOM 644 N ASP A 46 -5.018 -1.311 3.115 1.00 0.00 N ATOM 645 CA ASP A 46 -4.679 -1.309 4.533 1.00 0.00 C ATOM 646 C ASP A 46 -5.607 -2.232 5.317 1.00 0.00 C ATOM 647 O ASP A 46 -6.799 -2.322 5.026 1.00 0.00 O ATOM 648 CB ASP A 46 -4.757 0.114 5.096 1.00 0.00 C ATOM 649 CG ASP A 46 -3.406 0.635 5.543 1.00 0.00 C ATOM 650 OD1 ASP A 46 -2.520 -0.191 5.848 1.00 0.00 O ATOM 651 OD2 ASP A 46 -3.233 1.871 5.591 1.00 0.00 O ATOM 0 H ASP A 46 -5.274 -0.397 2.741 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.659 -1.678 4.637 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.167 0.780 4.337 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.447 0.130 5.940 1.00 0.00 H new ATOM 656 N ARG A 47 -5.051 -2.916 6.312 1.00 0.00 N ATOM 657 CA ARG A 47 -5.830 -3.831 7.139 1.00 0.00 C ATOM 658 C ARG A 47 -6.987 -3.103 7.814 1.00 0.00 C ATOM 659 O ARG A 47 -8.036 -3.692 8.076 1.00 0.00 O ATOM 660 CB ARG A 47 -4.935 -4.484 8.194 1.00 0.00 C ATOM 661 CG ARG A 47 -5.479 -5.802 8.723 1.00 0.00 C ATOM 662 CD ARG A 47 -5.995 -5.664 10.146 1.00 0.00 C ATOM 663 NE ARG A 47 -4.910 -5.644 11.123 1.00 0.00 N ATOM 664 CZ ARG A 47 -4.202 -6.717 11.466 1.00 0.00 C ATOM 665 NH1 ARG A 47 -4.460 -7.896 10.915 1.00 0.00 N ATOM 666 NH2 ARG A 47 -3.230 -6.611 12.363 1.00 0.00 N ATOM 0 H ARG A 47 -4.065 -2.854 6.565 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.242 -4.606 6.493 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.947 -4.654 7.765 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.806 -3.793 9.027 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.284 -6.150 8.076 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.695 -6.559 8.691 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.578 -4.747 10.233 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.668 -6.492 10.369 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.681 -4.755 11.569 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.205 -7.984 10.224 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.913 -8.715 11.183 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.026 -5.707 12.789 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.687 -7.433 12.626 1.00 0.00 H new ATOM 680 N SER A 48 -6.791 -1.819 8.092 1.00 0.00 N ATOM 681 CA SER A 48 -7.819 -1.009 8.735 1.00 0.00 C ATOM 682 C SER A 48 -8.817 -0.484 7.708 1.00 0.00 C ATOM 683 O SER A 48 -10.002 -0.329 8.001 1.00 0.00 O ATOM 684 CB SER A 48 -7.182 0.160 9.488 1.00 0.00 C ATOM 685 OG SER A 48 -6.544 1.056 8.595 1.00 0.00 O ATOM 0 H SER A 48 -5.929 -1.316 7.882 1.00 0.00 H new ATOM 0 HA SER A 48 -8.352 -1.641 9.445 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.946 0.690 10.056 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.456 -0.219 10.208 1.00 0.00 H new ATOM 0 HG SER A 48 -6.147 1.795 9.101 1.00 0.00 H new ATOM 691 N THR A 49 -8.328 -0.211 6.502 1.00 0.00 N ATOM 692 CA THR A 49 -9.177 0.296 5.431 1.00 0.00 C ATOM 693 C THR A 49 -10.236 -0.731 5.046 1.00 0.00 C ATOM 694 O THR A 49 -11.378 -0.379 4.746 1.00 0.00 O ATOM 695 CB THR A 49 -8.332 0.658 4.208 1.00 0.00 C ATOM 696 OG1 THR A 49 -7.338 1.607 4.549 1.00 0.00 O ATOM 697 CG2 THR A 49 -9.144 1.234 3.068 1.00 0.00 C ATOM 0 H THR A 49 -7.349 -0.333 6.243 1.00 0.00 H new ATOM 0 HA THR A 49 -9.680 1.193 5.793 1.00 0.00 H new ATOM 0 HB THR A 49 -7.886 -0.280 3.877 1.00 0.00 H new ATOM 0 HG1 THR A 49 -6.913 1.944 3.732 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.484 1.469 2.233 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.889 0.506 2.748 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.645 2.143 3.401 1.00 0.00 H new ATOM 705 N ILE A 50 -9.851 -2.001 5.061 1.00 0.00 N ATOM 706 CA ILE A 50 -10.766 -3.082 4.716 1.00 0.00 C ATOM 707 C ILE A 50 -11.759 -3.338 5.847 1.00 0.00 C ATOM 708 O ILE A 50 -12.915 -3.684 5.606 1.00 0.00 O ATOM 709 CB ILE A 50 -10.004 -4.386 4.403 1.00 0.00 C ATOM 710 CG1 ILE A 50 -10.974 -5.476 3.943 1.00 0.00 C ATOM 711 CG2 ILE A 50 -9.217 -4.849 5.621 1.00 0.00 C ATOM 712 CD1 ILE A 50 -11.718 -5.127 2.672 1.00 0.00 C ATOM 0 H ILE A 50 -8.910 -2.308 5.309 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.309 -2.769 3.824 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.300 -4.189 3.594 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.420 -6.402 3.787 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.697 -5.666 4.737 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.686 -5.770 5.382 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.499 -4.079 5.905 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.902 -5.030 6.450 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.387 -5.945 2.406 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.300 -4.219 2.829 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -11.004 -4.965 1.865 1.00 0.00 H new ATOM 724 N ALA A 51 -11.298 -3.164 7.082 1.00 0.00 N ATOM 725 CA ALA A 51 -12.145 -3.375 8.250 1.00 0.00 C ATOM 726 C ALA A 51 -13.374 -2.474 8.206 1.00 0.00 C ATOM 727 O ALA A 51 -14.488 -2.911 8.494 1.00 0.00 O ATOM 728 CB ALA A 51 -11.353 -3.129 9.526 1.00 0.00 C ATOM 0 H ALA A 51 -10.343 -2.878 7.299 1.00 0.00 H new ATOM 0 HA ALA A 51 -12.486 -4.410 8.240 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -11.997 -3.290 10.391 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.509 -3.818 9.569 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -10.985 -2.103 9.534 1.00 0.00 H new ATOM 734 N ARG A 52 -13.164 -1.213 7.841 1.00 0.00 N ATOM 735 CA ARG A 52 -14.255 -0.249 7.757 1.00 0.00 C ATOM 736 C ARG A 52 -15.305 -0.708 6.750 1.00 0.00 C ATOM 737 O ARG A 52 -16.494 -0.431 6.908 1.00 0.00 O ATOM 738 CB ARG A 52 -13.717 1.127 7.361 1.00 0.00 C ATOM 739 CG ARG A 52 -14.614 2.277 7.789 1.00 0.00 C ATOM 740 CD ARG A 52 -13.861 3.598 7.794 1.00 0.00 C ATOM 741 NE ARG A 52 -13.753 4.173 6.455 1.00 0.00 N ATOM 742 CZ ARG A 52 -14.736 4.838 5.851 1.00 0.00 C ATOM 743 NH1 ARG A 52 -15.901 5.013 6.462 1.00 0.00 N ATOM 744 NH2 ARG A 52 -14.554 5.328 4.633 1.00 0.00 N ATOM 0 H ARG A 52 -12.248 -0.835 7.599 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.724 -0.178 8.738 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.730 1.263 7.803 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.589 1.160 6.279 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -15.467 2.346 7.114 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -15.011 2.079 8.785 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -14.370 4.303 8.451 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.863 3.444 8.204 1.00 0.00 H new ATOM 0 HE ARG A 52 -12.872 4.058 5.953 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -16.047 4.637 7.399 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.650 5.523 5.995 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -13.661 5.196 4.158 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -15.307 5.837 4.170 1.00 0.00 H new ATOM 758 N HIS A 53 -14.855 -1.412 5.717 1.00 0.00 N ATOM 759 CA HIS A 53 -15.754 -1.912 4.683 1.00 0.00 C ATOM 760 C HIS A 53 -16.404 -3.224 5.113 1.00 0.00 C ATOM 761 O HIS A 53 -17.495 -3.566 4.655 1.00 0.00 O ATOM 762 CB HIS A 53 -14.994 -2.113 3.371 1.00 0.00 C ATOM 763 CG HIS A 53 -15.886 -2.334 2.190 1.00 0.00 C ATOM 764 ND1 HIS A 53 -16.891 -1.469 1.813 1.00 0.00 N ATOM 765 CD2 HIS A 53 -15.910 -3.349 1.288 1.00 0.00 C ATOM 766 CE1 HIS A 53 -17.480 -1.975 0.722 1.00 0.00 C ATOM 767 NE2 HIS A 53 -16.922 -3.115 0.362 1.00 0.00 N ATOM 0 H HIS A 53 -13.873 -1.649 5.573 1.00 0.00 H new ATOM 0 HA HIS A 53 -16.539 -1.171 4.531 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -14.369 -1.239 3.185 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -14.325 -2.967 3.475 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -17.141 -0.598 2.282 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -15.248 -4.203 1.289 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -18.305 -1.510 0.204 1.00 0.00 H new ATOM 775 N LEU A 54 -15.728 -3.956 5.993 1.00 0.00 N ATOM 776 CA LEU A 54 -16.242 -5.231 6.482 1.00 0.00 C ATOM 777 C LEU A 54 -16.966 -5.054 7.814 1.00 0.00 C ATOM 778 O LEU A 54 -16.866 -5.899 8.703 1.00 0.00 O ATOM 779 CB LEU A 54 -15.100 -6.237 6.639 1.00 0.00 C ATOM 780 CG LEU A 54 -14.312 -6.529 5.361 1.00 0.00 C ATOM 781 CD1 LEU A 54 -13.192 -7.519 5.639 1.00 0.00 C ATOM 782 CD2 LEU A 54 -15.238 -7.060 4.275 1.00 0.00 C ATOM 0 H LEU A 54 -14.824 -3.689 6.382 1.00 0.00 H new ATOM 0 HA LEU A 54 -16.955 -5.611 5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -14.410 -5.864 7.396 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.511 -7.174 7.016 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.867 -5.598 5.010 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.642 -7.715 4.718 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.515 -7.102 6.384 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.615 -8.451 6.014 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.662 -7.263 3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -15.711 -7.980 4.618 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -16.005 -6.318 4.056 1.00 0.00 H new ATOM 794 N LEU A 55 -17.697 -3.952 7.944 1.00 0.00 N ATOM 795 CA LEU A 55 -18.439 -3.666 9.166 1.00 0.00 C ATOM 796 C LEU A 55 -19.900 -4.081 9.023 1.00 0.00 C ATOM 797 O LEU A 55 -20.392 -4.924 9.773 1.00 0.00 O ATOM 798 CB LEU A 55 -18.351 -2.177 9.506 1.00 0.00 C ATOM 799 CG LEU A 55 -16.934 -1.650 9.744 1.00 0.00 C ATOM 800 CD1 LEU A 55 -16.970 -0.183 10.143 1.00 0.00 C ATOM 801 CD2 LEU A 55 -16.231 -2.477 10.810 1.00 0.00 C ATOM 0 H LEU A 55 -17.791 -3.242 7.218 1.00 0.00 H new ATOM 0 HA LEU A 55 -17.992 -4.243 9.976 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.803 -1.607 8.694 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.947 -1.988 10.398 1.00 0.00 H new ATOM 0 HG LEU A 55 -16.373 -1.738 8.814 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -15.954 0.174 10.308 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -17.435 0.399 9.347 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -17.548 -0.069 11.060 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.225 -2.089 10.967 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -16.791 -2.420 11.743 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.173 -3.516 10.485 1.00 0.00 H new ATOM 813 N SER A 56 -20.586 -3.484 8.054 1.00 0.00 N ATOM 814 CA SER A 56 -21.991 -3.791 7.812 1.00 0.00 C ATOM 815 C SER A 56 -22.135 -4.841 6.715 1.00 0.00 C ATOM 816 O SER A 56 -23.069 -5.643 6.728 1.00 0.00 O ATOM 817 CB SER A 56 -22.753 -2.523 7.424 1.00 0.00 C ATOM 818 OG SER A 56 -23.296 -1.885 8.566 1.00 0.00 O ATOM 0 H SER A 56 -20.192 -2.785 7.424 1.00 0.00 H new ATOM 0 HA SER A 56 -22.414 -4.192 8.733 1.00 0.00 H new ATOM 0 HB2 SER A 56 -22.084 -1.837 6.904 1.00 0.00 H new ATOM 0 HB3 SER A 56 -23.554 -2.775 6.729 1.00 0.00 H new ATOM 0 HG SER A 56 -23.777 -1.076 8.291 1.00 0.00 H new ATOM 824 N ASP A 57 -21.204 -4.831 5.767 1.00 0.00 N ATOM 825 CA ASP A 57 -21.227 -5.782 4.662 1.00 0.00 C ATOM 826 C ASP A 57 -19.871 -6.463 4.501 1.00 0.00 C ATOM 827 O ASP A 57 -18.923 -5.865 3.994 1.00 0.00 O ATOM 828 CB ASP A 57 -21.613 -5.075 3.361 1.00 0.00 C ATOM 829 CG ASP A 57 -22.950 -4.367 3.463 1.00 0.00 C ATOM 830 OD1 ASP A 57 -23.977 -5.059 3.630 1.00 0.00 O ATOM 831 OD2 ASP A 57 -22.971 -3.122 3.377 1.00 0.00 O ATOM 0 H ASP A 57 -20.424 -4.174 5.742 1.00 0.00 H new ATOM 0 HA ASP A 57 -21.972 -6.545 4.888 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -20.841 -4.351 3.101 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -21.652 -5.804 2.552 1.00 0.00 H new ATOM 836 N GLN A 58 -19.788 -7.715 4.935 1.00 0.00 N ATOM 837 CA GLN A 58 -18.549 -8.477 4.839 1.00 0.00 C ATOM 838 C GLN A 58 -18.252 -8.850 3.390 1.00 0.00 C ATOM 839 O GLN A 58 -18.509 -9.976 2.963 1.00 0.00 O ATOM 840 CB GLN A 58 -18.633 -9.742 5.696 1.00 0.00 C ATOM 841 CG GLN A 58 -18.221 -9.524 7.143 1.00 0.00 C ATOM 842 CD GLN A 58 -19.396 -9.587 8.100 1.00 0.00 C ATOM 843 OE1 GLN A 58 -20.066 -10.614 8.212 1.00 0.00 O ATOM 844 NE2 GLN A 58 -19.651 -8.486 8.797 1.00 0.00 N ATOM 0 H GLN A 58 -20.564 -8.224 5.357 1.00 0.00 H new ATOM 0 HA GLN A 58 -17.738 -7.850 5.209 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -19.655 -10.121 5.671 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -17.997 -10.511 5.258 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -17.486 -10.278 7.425 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -17.733 -8.554 7.236 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -19.069 -7.657 8.672 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -20.428 -8.469 9.457 1.00 0.00 H new ATOM 853 N THR A 59 -17.710 -7.897 2.637 1.00 0.00 N ATOM 854 CA THR A 59 -17.378 -8.125 1.237 1.00 0.00 C ATOM 855 C THR A 59 -16.261 -7.191 0.782 1.00 0.00 C ATOM 856 O THR A 59 -15.766 -6.374 1.559 1.00 0.00 O ATOM 857 CB THR A 59 -18.615 -7.924 0.359 1.00 0.00 C ATOM 858 OG1 THR A 59 -19.146 -6.623 0.533 1.00 0.00 O ATOM 859 CG2 THR A 59 -19.722 -8.916 0.649 1.00 0.00 C ATOM 0 H THR A 59 -17.492 -6.960 2.975 1.00 0.00 H new ATOM 0 HA THR A 59 -17.031 -9.153 1.135 1.00 0.00 H new ATOM 0 HB THR A 59 -18.272 -8.077 -0.664 1.00 0.00 H new ATOM 0 HG1 THR A 59 -19.935 -6.513 -0.038 1.00 0.00 H new ATOM 0 HG21 THR A 59 -20.569 -8.718 -0.008 1.00 0.00 H new ATOM 0 HG22 THR A 59 -19.358 -9.929 0.476 1.00 0.00 H new ATOM 0 HG23 THR A 59 -20.037 -8.816 1.688 1.00 0.00 H new ATOM 867 N ASP A 60 -15.868 -7.318 -0.482 1.00 0.00 N ATOM 868 CA ASP A 60 -14.809 -6.484 -1.040 1.00 0.00 C ATOM 869 C ASP A 60 -15.388 -5.211 -1.655 1.00 0.00 C ATOM 870 O ASP A 60 -16.480 -5.228 -2.221 1.00 0.00 O ATOM 871 CB ASP A 60 -14.018 -7.265 -2.092 1.00 0.00 C ATOM 872 CG ASP A 60 -12.653 -7.693 -1.589 1.00 0.00 C ATOM 873 OD1 ASP A 60 -12.091 -6.986 -0.725 1.00 0.00 O ATOM 874 OD2 ASP A 60 -12.147 -8.734 -2.058 1.00 0.00 O ATOM 0 H ASP A 60 -16.266 -7.990 -1.138 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.136 -6.200 -0.231 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.586 -8.147 -2.389 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.897 -6.649 -2.983 1.00 0.00 H new ATOM 879 N PRO A 61 -14.658 -4.086 -1.554 1.00 0.00 N ATOM 880 CA PRO A 61 -15.109 -2.804 -2.105 1.00 0.00 C ATOM 881 C PRO A 61 -15.017 -2.754 -3.628 1.00 0.00 C ATOM 882 O PRO A 61 -15.510 -1.817 -4.256 1.00 0.00 O ATOM 883 CB PRO A 61 -14.144 -1.796 -1.479 1.00 0.00 C ATOM 884 CG PRO A 61 -12.901 -2.574 -1.223 1.00 0.00 C ATOM 885 CD PRO A 61 -13.343 -3.974 -0.895 1.00 0.00 C ATOM 0 HA PRO A 61 -16.159 -2.612 -1.882 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.956 -0.958 -2.150 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -14.549 -1.381 -0.556 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -12.250 -2.566 -2.097 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.334 -2.142 -0.399 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.640 -4.716 -1.274 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.419 -4.129 0.181 1.00 0.00 H new ATOM 893 N PHE A 62 -14.382 -3.763 -4.219 1.00 0.00 N ATOM 894 CA PHE A 62 -14.228 -3.823 -5.669 1.00 0.00 C ATOM 895 C PHE A 62 -14.948 -5.038 -6.248 1.00 0.00 C ATOM 896 O PHE A 62 -15.790 -4.907 -7.137 1.00 0.00 O ATOM 897 CB PHE A 62 -12.746 -3.871 -6.044 1.00 0.00 C ATOM 898 CG PHE A 62 -11.894 -2.913 -5.261 1.00 0.00 C ATOM 899 CD1 PHE A 62 -11.952 -1.551 -5.511 1.00 0.00 C ATOM 900 CD2 PHE A 62 -11.034 -3.375 -4.277 1.00 0.00 C ATOM 901 CE1 PHE A 62 -11.169 -0.668 -4.791 1.00 0.00 C ATOM 902 CE2 PHE A 62 -10.249 -2.496 -3.555 1.00 0.00 C ATOM 903 CZ PHE A 62 -10.317 -1.141 -3.813 1.00 0.00 C ATOM 0 H PHE A 62 -13.967 -4.548 -3.717 1.00 0.00 H new ATOM 0 HA PHE A 62 -14.676 -2.924 -6.091 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -12.374 -4.884 -5.890 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.642 -3.651 -7.107 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -12.616 -1.176 -6.276 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -10.977 -4.434 -4.072 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -11.224 0.391 -4.993 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -9.583 -2.868 -2.790 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.704 -0.452 -3.250 1.00 0.00 H new ATOM 913 N ASN A 63 -14.607 -6.218 -5.741 1.00 0.00 N ATOM 914 CA ASN A 63 -15.217 -7.457 -6.213 1.00 0.00 C ATOM 915 C ASN A 63 -16.600 -7.659 -5.602 1.00 0.00 C ATOM 916 O ASN A 63 -17.477 -8.267 -6.217 1.00 0.00 O ATOM 917 CB ASN A 63 -14.320 -8.650 -5.875 1.00 0.00 C ATOM 918 CG ASN A 63 -14.702 -9.897 -6.648 1.00 0.00 C ATOM 919 OD1 ASN A 63 -15.842 -10.357 -6.583 1.00 0.00 O ATOM 920 ND2 ASN A 63 -13.747 -10.451 -7.385 1.00 0.00 N ATOM 0 H ASN A 63 -13.913 -6.343 -5.004 1.00 0.00 H new ATOM 0 HA ASN A 63 -15.329 -7.385 -7.295 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.283 -8.394 -6.092 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.380 -8.855 -4.806 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -13.944 -11.292 -7.927 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -12.816 -10.035 -7.409 1.00 0.00 H new ATOM 927 N ARG A 64 -16.791 -7.150 -4.390 1.00 0.00 N ATOM 928 CA ARG A 64 -18.069 -7.280 -3.699 1.00 0.00 C ATOM 929 C ARG A 64 -18.391 -8.746 -3.426 1.00 0.00 C ATOM 930 O ARG A 64 -19.556 -9.141 -3.395 1.00 0.00 O ATOM 931 CB ARG A 64 -19.189 -6.646 -4.526 1.00 0.00 C ATOM 932 CG ARG A 64 -20.380 -6.199 -3.694 1.00 0.00 C ATOM 933 CD ARG A 64 -20.205 -4.775 -3.192 1.00 0.00 C ATOM 934 NE ARG A 64 -21.399 -4.285 -2.506 1.00 0.00 N ATOM 935 CZ ARG A 64 -21.408 -3.227 -1.699 1.00 0.00 C ATOM 936 NH1 ARG A 64 -20.291 -2.546 -1.474 1.00 0.00 N ATOM 937 NH2 ARG A 64 -22.537 -2.849 -1.115 1.00 0.00 N ATOM 0 H ARG A 64 -16.078 -6.644 -3.866 1.00 0.00 H new ATOM 0 HA ARG A 64 -17.992 -6.758 -2.745 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -18.790 -5.787 -5.065 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -19.527 -7.363 -5.274 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -21.289 -6.266 -4.292 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -20.506 -6.872 -2.846 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -19.354 -4.732 -2.513 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -19.975 -4.120 -4.033 1.00 0.00 H new ATOM 0 HE ARG A 64 -22.277 -4.783 -2.655 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -19.420 -2.833 -1.921 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -20.304 -1.736 -0.855 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -23.398 -3.369 -1.284 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -22.544 -2.038 -0.496 1.00 0.00 H new ATOM 951 N SER A 65 -17.349 -9.548 -3.229 1.00 0.00 N ATOM 952 CA SER A 65 -17.518 -10.971 -2.958 1.00 0.00 C ATOM 953 C SER A 65 -17.390 -11.258 -1.464 1.00 0.00 C ATOM 954 O SER A 65 -16.918 -10.414 -0.702 1.00 0.00 O ATOM 955 CB SER A 65 -16.483 -11.784 -3.738 1.00 0.00 C ATOM 956 OG SER A 65 -17.034 -12.290 -4.942 1.00 0.00 O ATOM 0 H SER A 65 -16.378 -9.236 -3.252 1.00 0.00 H new ATOM 0 HA SER A 65 -18.517 -11.263 -3.281 1.00 0.00 H new ATOM 0 HB2 SER A 65 -15.620 -11.158 -3.964 1.00 0.00 H new ATOM 0 HB3 SER A 65 -16.126 -12.610 -3.123 1.00 0.00 H new ATOM 0 HG SER A 65 -16.737 -11.738 -5.695 1.00 0.00 H new ATOM 962 N PRO A 66 -17.809 -12.457 -1.025 1.00 0.00 N ATOM 963 CA PRO A 66 -17.736 -12.850 0.387 1.00 0.00 C ATOM 964 C PRO A 66 -16.305 -12.847 0.914 1.00 0.00 C ATOM 965 O PRO A 66 -15.566 -13.816 0.740 1.00 0.00 O ATOM 966 CB PRO A 66 -18.311 -14.272 0.402 1.00 0.00 C ATOM 967 CG PRO A 66 -18.221 -14.746 -1.008 1.00 0.00 C ATOM 968 CD PRO A 66 -18.383 -13.522 -1.863 1.00 0.00 C ATOM 0 HA PRO A 66 -18.279 -12.156 1.028 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -17.744 -14.919 1.072 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.343 -14.276 0.753 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.263 -15.231 -1.197 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -18.998 -15.479 -1.224 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -17.854 -13.619 -2.811 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -19.430 -13.330 -2.100 1.00 0.00 H new ATOM 976 N LEU A 67 -15.921 -11.749 1.559 1.00 0.00 N ATOM 977 CA LEU A 67 -14.579 -11.616 2.113 1.00 0.00 C ATOM 978 C LEU A 67 -14.635 -11.297 3.604 1.00 0.00 C ATOM 979 O LEU A 67 -15.600 -10.700 4.084 1.00 0.00 O ATOM 980 CB LEU A 67 -13.806 -10.521 1.374 1.00 0.00 C ATOM 981 CG LEU A 67 -12.397 -10.253 1.902 1.00 0.00 C ATOM 982 CD1 LEU A 67 -11.465 -11.402 1.547 1.00 0.00 C ATOM 983 CD2 LEU A 67 -11.861 -8.941 1.350 1.00 0.00 C ATOM 0 H LEU A 67 -16.521 -10.938 1.710 1.00 0.00 H new ATOM 0 HA LEU A 67 -14.063 -12.567 1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.737 -10.794 0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.379 -9.595 1.426 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.447 -10.175 2.988 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.467 -11.193 1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.839 -12.324 1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.421 -11.513 0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -10.857 -8.767 1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -11.827 -8.991 0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -12.514 -8.124 1.656 1.00 0.00 H new ATOM 995 N THR A 68 -13.597 -11.697 4.331 1.00 0.00 N ATOM 996 CA THR A 68 -13.530 -11.453 5.767 1.00 0.00 C ATOM 997 C THR A 68 -12.104 -11.123 6.197 1.00 0.00 C ATOM 998 O THR A 68 -11.190 -11.080 5.371 1.00 0.00 O ATOM 999 CB THR A 68 -14.036 -12.673 6.539 1.00 0.00 C ATOM 1000 OG1 THR A 68 -13.609 -13.872 5.917 1.00 0.00 O ATOM 1001 CG2 THR A 68 -15.545 -12.726 6.652 1.00 0.00 C ATOM 0 H THR A 68 -12.791 -12.192 3.949 1.00 0.00 H new ATOM 0 HA THR A 68 -14.167 -10.598 5.993 1.00 0.00 H new ATOM 0 HB THR A 68 -13.616 -12.576 7.540 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.941 -14.641 6.426 1.00 0.00 H new ATOM 0 HG21 THR A 68 -15.837 -13.615 7.211 1.00 0.00 H new ATOM 0 HG22 THR A 68 -15.902 -11.837 7.172 1.00 0.00 H new ATOM 0 HG23 THR A 68 -15.983 -12.764 5.655 1.00 0.00 H new ATOM 1009 N MET A 69 -11.919 -10.889 7.492 1.00 0.00 N ATOM 1010 CA MET A 69 -10.604 -10.563 8.030 1.00 0.00 C ATOM 1011 C MET A 69 -9.663 -11.761 7.936 1.00 0.00 C ATOM 1012 O MET A 69 -8.448 -11.601 7.822 1.00 0.00 O ATOM 1013 CB MET A 69 -10.723 -10.104 9.485 1.00 0.00 C ATOM 1014 CG MET A 69 -9.829 -8.923 9.826 1.00 0.00 C ATOM 1015 SD MET A 69 -10.720 -7.355 9.828 1.00 0.00 S ATOM 1016 CE MET A 69 -9.615 -6.337 8.854 1.00 0.00 C ATOM 0 H MET A 69 -12.664 -10.919 8.188 1.00 0.00 H new ATOM 0 HA MET A 69 -10.188 -9.751 7.434 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.759 -9.835 9.689 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.475 -10.938 10.142 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.381 -9.083 10.807 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.012 -8.871 9.107 1.00 0.00 H new ATOM 0 HE1 MET A 69 -10.172 -5.506 8.422 1.00 0.00 H new ATOM 0 HE2 MET A 69 -8.821 -5.949 9.492 1.00 0.00 H new ATOM 0 HE3 MET A 69 -9.178 -6.936 8.055 1.00 0.00 H new ATOM 1026 N ASP A 70 -10.234 -12.960 7.986 1.00 0.00 N ATOM 1027 CA ASP A 70 -9.445 -14.185 7.908 1.00 0.00 C ATOM 1028 C ASP A 70 -8.972 -14.437 6.479 1.00 0.00 C ATOM 1029 O ASP A 70 -7.905 -15.012 6.261 1.00 0.00 O ATOM 1030 CB ASP A 70 -10.267 -15.377 8.402 1.00 0.00 C ATOM 1031 CG ASP A 70 -9.431 -16.375 9.177 1.00 0.00 C ATOM 1032 OD1 ASP A 70 -8.211 -16.453 8.921 1.00 0.00 O ATOM 1033 OD2 ASP A 70 -9.995 -17.079 10.040 1.00 0.00 O ATOM 0 H ASP A 70 -11.239 -13.110 8.080 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.570 -14.066 8.546 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.078 -15.018 9.035 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.726 -15.877 7.549 1.00 0.00 H new ATOM 1038 N GLN A 71 -9.772 -14.006 5.510 1.00 0.00 N ATOM 1039 CA GLN A 71 -9.435 -14.187 4.102 1.00 0.00 C ATOM 1040 C GLN A 71 -8.272 -13.287 3.700 1.00 0.00 C ATOM 1041 O GLN A 71 -7.317 -13.738 3.067 1.00 0.00 O ATOM 1042 CB GLN A 71 -10.652 -13.890 3.225 1.00 0.00 C ATOM 1043 CG GLN A 71 -11.768 -14.913 3.367 1.00 0.00 C ATOM 1044 CD GLN A 71 -12.493 -15.172 2.061 1.00 0.00 C ATOM 1045 OE1 GLN A 71 -13.700 -14.954 1.954 1.00 0.00 O ATOM 1046 NE2 GLN A 71 -11.758 -15.641 1.059 1.00 0.00 N ATOM 0 H GLN A 71 -10.659 -13.529 5.673 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.134 -15.224 3.956 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.040 -12.904 3.479 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.337 -13.850 2.182 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.352 -15.849 3.739 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.483 -14.564 4.112 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.760 -15.807 1.192 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.191 -15.835 0.156 1.00 0.00 H new ATOM 1055 N ILE A 72 -8.356 -12.014 4.071 1.00 0.00 N ATOM 1056 CA ILE A 72 -7.310 -11.052 3.747 1.00 0.00 C ATOM 1057 C ILE A 72 -6.040 -11.333 4.546 1.00 0.00 C ATOM 1058 O ILE A 72 -6.090 -11.523 5.761 1.00 0.00 O ATOM 1059 CB ILE A 72 -7.768 -9.608 4.024 1.00 0.00 C ATOM 1060 CG1 ILE A 72 -8.168 -9.448 5.493 1.00 0.00 C ATOM 1061 CG2 ILE A 72 -8.927 -9.237 3.110 1.00 0.00 C ATOM 1062 CD1 ILE A 72 -7.119 -8.752 6.332 1.00 0.00 C ATOM 0 H ILE A 72 -9.138 -11.625 4.597 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.100 -11.160 2.683 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.937 -8.933 3.819 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.099 -8.884 5.548 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.366 -10.433 5.917 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.240 -8.214 3.317 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.610 -9.316 2.070 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.762 -9.915 3.288 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.470 -8.673 7.361 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.193 -9.327 6.307 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.937 -7.754 5.933 1.00 0.00 H new ATOM 1074 N ARG A 73 -4.905 -11.358 3.854 1.00 0.00 N ATOM 1075 CA ARG A 73 -3.623 -11.617 4.500 1.00 0.00 C ATOM 1076 C ARG A 73 -2.673 -10.436 4.318 1.00 0.00 C ATOM 1077 O ARG A 73 -2.804 -9.663 3.368 1.00 0.00 O ATOM 1078 CB ARG A 73 -2.990 -12.888 3.932 1.00 0.00 C ATOM 1079 CG ARG A 73 -3.681 -14.165 4.383 1.00 0.00 C ATOM 1080 CD ARG A 73 -2.927 -15.402 3.921 1.00 0.00 C ATOM 1081 NE ARG A 73 -2.756 -16.373 4.999 1.00 0.00 N ATOM 1082 CZ ARG A 73 -1.832 -16.267 5.952 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -0.999 -15.234 5.967 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -1.742 -17.197 6.894 1.00 0.00 N ATOM 0 H ARG A 73 -4.847 -11.202 2.848 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.803 -11.754 5.566 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.010 -12.839 2.843 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.942 -12.927 4.230 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.761 -14.172 5.470 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.697 -14.189 3.988 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.466 -15.868 3.096 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.949 -15.109 3.539 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.381 -17.179 5.023 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.064 -14.516 5.246 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.293 -15.158 6.700 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.380 -17.993 6.888 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.034 -17.116 7.624 1.00 0.00 H new ATOM 1098 N PRO A 74 -1.696 -10.281 5.229 1.00 0.00 N ATOM 1099 CA PRO A 74 -0.721 -9.188 5.164 1.00 0.00 C ATOM 1100 C PRO A 74 0.260 -9.356 4.008 1.00 0.00 C ATOM 1101 O PRO A 74 0.918 -10.389 3.885 1.00 0.00 O ATOM 1102 CB PRO A 74 0.011 -9.284 6.504 1.00 0.00 C ATOM 1103 CG PRO A 74 -0.128 -10.710 6.910 1.00 0.00 C ATOM 1104 CD PRO A 74 -1.468 -11.159 6.393 1.00 0.00 C ATOM 0 HA PRO A 74 -1.200 -8.224 4.994 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.059 -9.001 6.404 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.430 -8.617 7.245 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.675 -11.315 6.490 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.073 -10.814 7.994 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.457 -12.211 6.107 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.249 -11.041 7.144 1.00 0.00 H new ATOM 1112 N ASN A 75 0.352 -8.334 3.163 1.00 0.00 N ATOM 1113 CA ASN A 75 1.252 -8.370 2.017 1.00 0.00 C ATOM 1114 C ASN A 75 2.699 -8.167 2.455 1.00 0.00 C ATOM 1115 O ASN A 75 3.166 -7.036 2.588 1.00 0.00 O ATOM 1116 CB ASN A 75 0.861 -7.295 1.001 1.00 0.00 C ATOM 1117 CG ASN A 75 1.261 -7.666 -0.414 1.00 0.00 C ATOM 1118 OD1 ASN A 75 1.487 -8.837 -0.721 1.00 0.00 O ATOM 1119 ND2 ASN A 75 1.351 -6.667 -1.284 1.00 0.00 N ATOM 0 H ASN A 75 -0.185 -7.472 3.251 1.00 0.00 H new ATOM 0 HA ASN A 75 1.166 -9.351 1.550 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.216 -7.135 1.041 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.334 -6.351 1.274 1.00 0.00 H new ATOM 0 HD21 ASN A 75 1.616 -6.855 -2.251 1.00 0.00 H new ATOM 0 HD22 ASN A 75 1.155 -5.712 -0.986 1.00 0.00 H new ATOM 1126 N THR A 76 3.404 -9.272 2.678 1.00 0.00 N ATOM 1127 CA THR A 76 4.799 -9.216 3.101 1.00 0.00 C ATOM 1128 C THR A 76 5.671 -8.592 2.018 1.00 0.00 C ATOM 1129 O THR A 76 6.609 -7.852 2.312 1.00 0.00 O ATOM 1130 CB THR A 76 5.307 -10.619 3.437 1.00 0.00 C ATOM 1131 OG1 THR A 76 4.232 -11.472 3.788 1.00 0.00 O ATOM 1132 CG2 THR A 76 6.299 -10.638 4.580 1.00 0.00 C ATOM 0 H THR A 76 3.033 -10.216 2.573 1.00 0.00 H new ATOM 0 HA THR A 76 4.858 -8.592 3.993 1.00 0.00 H new ATOM 0 HB THR A 76 5.809 -10.968 2.534 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.578 -12.365 3.998 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.619 -11.663 4.767 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.165 -10.029 4.320 1.00 0.00 H new ATOM 0 HG23 THR A 76 5.828 -10.236 5.477 1.00 0.00 H new ATOM 1140 N GLU A 77 5.356 -8.898 0.763 1.00 0.00 N ATOM 1141 CA GLU A 77 6.111 -8.367 -0.365 1.00 0.00 C ATOM 1142 C GLU A 77 6.057 -6.842 -0.388 1.00 0.00 C ATOM 1143 O GLU A 77 7.001 -6.184 -0.824 1.00 0.00 O ATOM 1144 CB GLU A 77 5.565 -8.928 -1.681 1.00 0.00 C ATOM 1145 CG GLU A 77 6.334 -10.137 -2.192 1.00 0.00 C ATOM 1146 CD GLU A 77 7.017 -9.875 -3.520 1.00 0.00 C ATOM 1147 OE1 GLU A 77 7.282 -8.694 -3.830 1.00 0.00 O ATOM 1148 OE2 GLU A 77 7.289 -10.851 -4.250 1.00 0.00 O ATOM 0 H GLU A 77 4.583 -9.511 0.502 1.00 0.00 H new ATOM 0 HA GLU A 77 7.151 -8.674 -0.250 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.520 -9.204 -1.543 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.590 -8.145 -2.439 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.082 -10.426 -1.454 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.650 -10.979 -2.299 1.00 0.00 H new ATOM 1155 N LEU A 78 4.946 -6.287 0.086 1.00 0.00 N ATOM 1156 CA LEU A 78 4.770 -4.840 0.122 1.00 0.00 C ATOM 1157 C LEU A 78 5.194 -4.272 1.472 1.00 0.00 C ATOM 1158 O LEU A 78 5.838 -3.225 1.542 1.00 0.00 O ATOM 1159 CB LEU A 78 3.311 -4.477 -0.160 1.00 0.00 C ATOM 1160 CG LEU A 78 3.039 -2.983 -0.344 1.00 0.00 C ATOM 1161 CD1 LEU A 78 3.701 -2.473 -1.615 1.00 0.00 C ATOM 1162 CD2 LEU A 78 1.542 -2.715 -0.375 1.00 0.00 C ATOM 0 H LEU A 78 4.155 -6.817 0.450 1.00 0.00 H new ATOM 0 HA LEU A 78 5.404 -4.403 -0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.989 -5.003 -1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.696 -4.844 0.662 1.00 0.00 H new ATOM 0 HG LEU A 78 3.467 -2.447 0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.497 -1.408 -1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.778 -2.631 -1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.304 -3.013 -2.474 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.366 -1.647 -0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.092 -3.262 -1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.094 -3.044 0.563 1.00 0.00 H new ATOM 1174 N LYS A 79 4.827 -4.969 2.543 1.00 0.00 N ATOM 1175 CA LYS A 79 5.169 -4.534 3.894 1.00 0.00 C ATOM 1176 C LYS A 79 6.677 -4.359 4.047 1.00 0.00 C ATOM 1177 O LYS A 79 7.138 -3.525 4.826 1.00 0.00 O ATOM 1178 CB LYS A 79 4.653 -5.543 4.921 1.00 0.00 C ATOM 1179 CG LYS A 79 4.253 -4.911 6.245 1.00 0.00 C ATOM 1180 CD LYS A 79 3.956 -5.964 7.298 1.00 0.00 C ATOM 1181 CE LYS A 79 2.949 -5.462 8.320 1.00 0.00 C ATOM 1182 NZ LYS A 79 1.551 -5.803 7.937 1.00 0.00 N ATOM 0 H LYS A 79 4.293 -5.837 2.502 1.00 0.00 H new ATOM 0 HA LYS A 79 4.692 -3.570 4.070 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.793 -6.067 4.503 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.425 -6.291 5.103 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.054 -4.261 6.596 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.374 -4.283 6.099 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.570 -6.863 6.817 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.880 -6.245 7.804 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.174 -5.895 9.294 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.044 -4.381 8.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.893 -5.414 8.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.338 -5.397 7.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.444 -6.837 7.897 1.00 0.00 H new ATOM 1196 N GLU A 80 7.439 -5.150 3.300 1.00 0.00 N ATOM 1197 CA GLU A 80 8.895 -5.082 3.354 1.00 0.00 C ATOM 1198 C GLU A 80 9.406 -3.830 2.648 1.00 0.00 C ATOM 1199 O GLU A 80 10.431 -3.265 3.030 1.00 0.00 O ATOM 1200 CB GLU A 80 9.509 -6.328 2.714 1.00 0.00 C ATOM 1201 CG GLU A 80 9.459 -7.558 3.604 1.00 0.00 C ATOM 1202 CD GLU A 80 10.443 -8.629 3.176 1.00 0.00 C ATOM 1203 OE1 GLU A 80 11.659 -8.345 3.158 1.00 0.00 O ATOM 1204 OE2 GLU A 80 9.998 -9.752 2.859 1.00 0.00 O ATOM 0 H GLU A 80 7.073 -5.846 2.650 1.00 0.00 H new ATOM 0 HA GLU A 80 9.194 -5.036 4.401 1.00 0.00 H new ATOM 0 HB2 GLU A 80 8.986 -6.543 1.782 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.547 -6.119 2.456 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.670 -7.266 4.633 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.450 -7.971 3.591 1.00 0.00 H new ATOM 1211 N LYS A 81 8.686 -3.402 1.616 1.00 0.00 N ATOM 1212 CA LYS A 81 9.067 -2.218 0.857 1.00 0.00 C ATOM 1213 C LYS A 81 8.796 -0.947 1.653 1.00 0.00 C ATOM 1214 O LYS A 81 9.496 0.055 1.501 1.00 0.00 O ATOM 1215 CB LYS A 81 8.308 -2.173 -0.471 1.00 0.00 C ATOM 1216 CG LYS A 81 8.677 -3.301 -1.421 1.00 0.00 C ATOM 1217 CD LYS A 81 8.171 -3.032 -2.830 1.00 0.00 C ATOM 1218 CE LYS A 81 9.290 -2.548 -3.739 1.00 0.00 C ATOM 1219 NZ LYS A 81 9.294 -1.065 -3.873 1.00 0.00 N ATOM 0 H LYS A 81 7.835 -3.858 1.287 1.00 0.00 H new ATOM 0 HA LYS A 81 10.137 -2.276 0.656 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.238 -2.214 -0.270 1.00 0.00 H new ATOM 0 HB3 LYS A 81 8.504 -1.219 -0.960 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.760 -3.423 -1.439 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.257 -4.238 -1.055 1.00 0.00 H new ATOM 0 HD2 LYS A 81 7.734 -3.942 -3.241 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.378 -2.285 -2.797 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.249 -2.879 -3.342 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.179 -3.001 -4.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.071 -0.775 -4.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 8.388 -0.750 -4.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.425 -0.632 -2.937 1.00 0.00 H new ATOM 1233 N ILE A 82 7.776 -0.991 2.504 1.00 0.00 N ATOM 1234 CA ILE A 82 7.414 0.158 3.324 1.00 0.00 C ATOM 1235 C ILE A 82 8.424 0.370 4.448 1.00 0.00 C ATOM 1236 O ILE A 82 8.820 1.500 4.733 1.00 0.00 O ATOM 1237 CB ILE A 82 6.008 -0.007 3.935 1.00 0.00 C ATOM 1238 CG1 ILE A 82 4.997 -0.374 2.847 1.00 0.00 C ATOM 1239 CG2 ILE A 82 5.586 1.269 4.650 1.00 0.00 C ATOM 1240 CD1 ILE A 82 3.700 -0.933 3.390 1.00 0.00 C ATOM 0 H ILE A 82 7.186 -1.811 2.643 1.00 0.00 H new ATOM 0 HA ILE A 82 7.416 1.028 2.668 1.00 0.00 H new ATOM 0 HB ILE A 82 6.038 -0.815 4.666 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.780 0.512 2.251 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.447 -1.107 2.177 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.591 1.136 5.076 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.295 1.491 5.447 1.00 0.00 H new ATOM 0 HG23 ILE A 82 5.569 2.095 3.940 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.032 -1.171 2.563 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.905 -1.838 3.962 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.228 -0.194 4.037 1.00 0.00 H new ATOM 1252 N GLN A 83 8.836 -0.723 5.081 1.00 0.00 N ATOM 1253 CA GLN A 83 9.801 -0.655 6.172 1.00 0.00 C ATOM 1254 C GLN A 83 11.161 -0.187 5.666 1.00 0.00 C ATOM 1255 O GLN A 83 11.907 0.478 6.385 1.00 0.00 O ATOM 1256 CB GLN A 83 9.938 -2.022 6.846 1.00 0.00 C ATOM 1257 CG GLN A 83 8.605 -2.702 7.119 1.00 0.00 C ATOM 1258 CD GLN A 83 8.399 -3.014 8.588 1.00 0.00 C ATOM 1259 OE1 GLN A 83 9.350 -3.041 9.370 1.00 0.00 O ATOM 1260 NE2 GLN A 83 7.150 -3.254 8.973 1.00 0.00 N ATOM 0 H GLN A 83 8.517 -1.666 4.858 1.00 0.00 H new ATOM 0 HA GLN A 83 9.436 0.067 6.902 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.545 -2.670 6.214 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.475 -1.902 7.787 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.796 -2.060 6.771 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.548 -3.626 6.544 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.391 -3.221 8.292 1.00 0.00 H new ATOM 0 HE22 GLN A 83 6.950 -3.471 9.949 1.00 0.00 H new ATOM 1269 N ARG A 84 11.475 -0.537 4.423 1.00 0.00 N ATOM 1270 CA ARG A 84 12.745 -0.154 3.817 1.00 0.00 C ATOM 1271 C ARG A 84 12.720 1.310 3.384 1.00 0.00 C ATOM 1272 O ARG A 84 13.747 1.991 3.407 1.00 0.00 O ATOM 1273 CB ARG A 84 13.052 -1.052 2.617 1.00 0.00 C ATOM 1274 CG ARG A 84 14.388 -1.772 2.722 1.00 0.00 C ATOM 1275 CD ARG A 84 14.205 -3.263 2.955 1.00 0.00 C ATOM 1276 NE ARG A 84 14.059 -3.999 1.701 1.00 0.00 N ATOM 1277 CZ ARG A 84 14.222 -5.315 1.590 1.00 0.00 C ATOM 1278 NH1 ARG A 84 14.537 -6.044 2.654 1.00 0.00 N ATOM 1279 NH2 ARG A 84 14.069 -5.906 0.413 1.00 0.00 N ATOM 0 H ARG A 84 10.867 -1.086 3.815 1.00 0.00 H new ATOM 0 HA ARG A 84 13.530 -0.279 4.563 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.257 -1.791 2.514 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.045 -0.448 1.710 1.00 0.00 H new ATOM 0 HG2 ARG A 84 14.960 -1.614 1.808 1.00 0.00 H new ATOM 0 HG3 ARG A 84 14.969 -1.344 3.539 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.061 -3.652 3.506 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.325 -3.428 3.577 1.00 0.00 H new ATOM 0 HE ARG A 84 13.818 -3.473 0.861 1.00 0.00 H new ATOM 0 HH11 ARG A 84 14.655 -5.596 3.563 1.00 0.00 H new ATOM 0 HH12 ARG A 84 14.661 -7.052 2.563 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.826 -5.352 -0.408 1.00 0.00 H new ATOM 0 HH22 ARG A 84 14.194 -6.915 0.329 1.00 0.00 H new ATOM 1293 N TRP A 85 11.545 1.785 2.988 1.00 0.00 N ATOM 1294 CA TRP A 85 11.387 3.168 2.549 1.00 0.00 C ATOM 1295 C TRP A 85 11.276 4.110 3.742 1.00 0.00 C ATOM 1296 O TRP A 85 11.792 5.227 3.713 1.00 0.00 O ATOM 1297 CB TRP A 85 10.149 3.303 1.660 1.00 0.00 C ATOM 1298 CG TRP A 85 9.933 4.695 1.148 1.00 0.00 C ATOM 1299 CD1 TRP A 85 10.727 5.380 0.274 1.00 0.00 C ATOM 1300 CD2 TRP A 85 8.852 5.572 1.481 1.00 0.00 C ATOM 1301 NE1 TRP A 85 10.206 6.629 0.043 1.00 0.00 N ATOM 1302 CE2 TRP A 85 9.054 6.772 0.772 1.00 0.00 C ATOM 1303 CE3 TRP A 85 7.730 5.461 2.308 1.00 0.00 C ATOM 1304 CZ2 TRP A 85 8.178 7.851 0.867 1.00 0.00 C ATOM 1305 CZ3 TRP A 85 6.861 6.532 2.402 1.00 0.00 C ATOM 1306 CH2 TRP A 85 7.089 7.712 1.684 1.00 0.00 C ATOM 0 H TRP A 85 10.687 1.234 2.962 1.00 0.00 H new ATOM 0 HA TRP A 85 12.271 3.444 1.975 1.00 0.00 H new ATOM 0 HB2 TRP A 85 10.243 2.623 0.813 1.00 0.00 H new ATOM 0 HB3 TRP A 85 9.270 2.991 2.224 1.00 0.00 H new ATOM 0 HD1 TRP A 85 11.633 4.995 -0.171 1.00 0.00 H new ATOM 0 HE1 TRP A 85 10.610 7.336 -0.571 1.00 0.00 H new ATOM 0 HE3 TRP A 85 7.545 4.554 2.864 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 8.352 8.764 0.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 5.992 6.457 3.039 1.00 0.00 H new ATOM 0 HH2 TRP A 85 6.390 8.530 1.777 1.00 0.00 H new