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 68 THR OG1 : rot -62:sc= 0.194 USER MOD Set 1.2: A 71 GLN : amide:sc= -0.588 K(o=-0.39,f=-0.92!) USER MOD Single : A 28 MET CE :methyl 171:sc= 0 (180deg=-0.119) 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= -0.0446 (180deg=-0.0661) 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 -85:sc= -0.0444 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0886 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -163:sc= -1.13 USER MOD Single : A 53 HIS : no HE2:sc= -0.975 K(o=-0.98,f=-2.5) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 59 THR OG1 : rot -120:sc= -0.971 USER MOD Single : A 63 ASN : amide:sc= -1.26 K(o=-1.3,f=-2.9) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 141:sc= -4.03! (180deg=-6.38!) USER MOD Single : A 75 ASN : amide:sc= -2.14 X(o=-2.1,f=-2.2) USER MOD Single : A 76 THR OG1 : rot 93:sc= 0.0609 USER MOD Single : A 79 LYS NZ :NH3+ -139:sc= 1.07 (180deg=-0.894) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.483 X(o=-0.48,f=-0.057) USER MOD ----------------------------------------------------------------- ATOM 288 N PHE A 23 2.512 2.744 -2.133 1.00 0.00 N ATOM 289 CA PHE A 23 2.336 2.716 -0.685 1.00 0.00 C ATOM 290 C PHE A 23 1.030 3.393 -0.284 1.00 0.00 C ATOM 291 O PHE A 23 0.385 2.995 0.686 1.00 0.00 O ATOM 292 CB PHE A 23 3.513 3.406 0.007 1.00 0.00 C ATOM 293 CG PHE A 23 4.840 2.755 -0.266 1.00 0.00 C ATOM 294 CD1 PHE A 23 4.966 1.375 -0.252 1.00 0.00 C ATOM 295 CD2 PHE A 23 5.960 3.525 -0.535 1.00 0.00 C ATOM 296 CE1 PHE A 23 6.186 0.775 -0.501 1.00 0.00 C ATOM 297 CE2 PHE A 23 7.183 2.930 -0.786 1.00 0.00 C ATOM 298 CZ PHE A 23 7.295 1.553 -0.769 1.00 0.00 C ATOM 0 HA PHE A 23 2.298 1.674 -0.369 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.555 4.446 -0.317 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.337 3.414 1.083 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.102 0.762 -0.044 1.00 0.00 H new ATOM 0 HD2 PHE A 23 5.877 4.602 -0.549 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.272 -0.301 -0.486 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.049 3.541 -0.995 1.00 0.00 H new ATOM 0 HZ PHE A 23 8.249 1.086 -0.965 1.00 0.00 H new ATOM 308 N LEU A 24 0.646 4.420 -1.035 1.00 0.00 N ATOM 309 CA LEU A 24 -0.583 5.154 -0.757 1.00 0.00 C ATOM 310 C LEU A 24 -1.805 4.263 -0.948 1.00 0.00 C ATOM 311 O LEU A 24 -1.924 3.562 -1.953 1.00 0.00 O ATOM 312 CB LEU A 24 -0.684 6.381 -1.667 1.00 0.00 C ATOM 313 CG LEU A 24 0.155 7.582 -1.230 1.00 0.00 C ATOM 314 CD1 LEU A 24 0.224 8.617 -2.342 1.00 0.00 C ATOM 315 CD2 LEU A 24 -0.415 8.197 0.039 1.00 0.00 C ATOM 0 H LEU A 24 1.168 4.763 -1.841 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.555 5.481 0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.382 6.093 -2.674 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.728 6.688 -1.723 1.00 0.00 H new ATOM 0 HG LEU A 24 1.167 7.237 -1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.825 9.465 -2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.679 8.171 -3.226 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.782 8.958 -2.584 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.195 9.050 0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.437 8.528 -0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.412 7.454 0.837 1.00 0.00 H new ATOM 327 N ASP A 25 -2.712 4.298 0.023 1.00 0.00 N ATOM 328 CA ASP A 25 -3.928 3.495 -0.038 1.00 0.00 C ATOM 329 C ASP A 25 -4.814 3.941 -1.200 1.00 0.00 C ATOM 330 O ASP A 25 -4.934 5.134 -1.475 1.00 0.00 O ATOM 331 CB ASP A 25 -4.701 3.605 1.278 1.00 0.00 C ATOM 332 CG ASP A 25 -5.396 2.312 1.652 1.00 0.00 C ATOM 333 OD1 ASP A 25 -4.699 1.291 1.828 1.00 0.00 O ATOM 334 OD2 ASP A 25 -6.641 2.319 1.770 1.00 0.00 O ATOM 0 H ASP A 25 -2.628 4.873 0.861 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.642 2.455 -0.199 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.015 3.889 2.076 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.441 4.401 1.196 1.00 0.00 H new ATOM 339 N PRO A 26 -5.447 2.986 -1.904 1.00 0.00 N ATOM 340 CA PRO A 26 -6.321 3.296 -3.040 1.00 0.00 C ATOM 341 C PRO A 26 -7.606 3.999 -2.613 1.00 0.00 C ATOM 342 O PRO A 26 -8.223 4.716 -3.401 1.00 0.00 O ATOM 343 CB PRO A 26 -6.639 1.922 -3.634 1.00 0.00 C ATOM 344 CG PRO A 26 -6.464 0.969 -2.503 1.00 0.00 C ATOM 345 CD PRO A 26 -5.362 1.535 -1.651 1.00 0.00 C ATOM 0 HA PRO A 26 -5.843 3.979 -3.742 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.655 1.887 -4.028 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.969 1.683 -4.460 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.387 0.868 -1.931 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.204 -0.025 -2.867 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.509 1.301 -0.596 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.389 1.134 -1.934 1.00 0.00 H new ATOM 353 N ILE A 27 -8.005 3.790 -1.362 1.00 0.00 N ATOM 354 CA ILE A 27 -9.219 4.403 -0.836 1.00 0.00 C ATOM 355 C ILE A 27 -8.893 5.523 0.147 1.00 0.00 C ATOM 356 O ILE A 27 -9.404 6.636 0.026 1.00 0.00 O ATOM 357 CB ILE A 27 -10.114 3.364 -0.134 1.00 0.00 C ATOM 358 CG1 ILE A 27 -10.294 2.130 -1.021 1.00 0.00 C ATOM 359 CG2 ILE A 27 -11.463 3.975 0.214 1.00 0.00 C ATOM 360 CD1 ILE A 27 -10.926 0.958 -0.303 1.00 0.00 C ATOM 0 H ILE A 27 -7.506 3.202 -0.695 1.00 0.00 H new ATOM 0 HA ILE A 27 -9.756 4.819 -1.689 1.00 0.00 H new ATOM 0 HB ILE A 27 -9.628 3.055 0.791 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.911 2.396 -1.879 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.322 1.827 -1.410 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -12.084 3.228 0.709 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -11.316 4.825 0.880 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.957 4.310 -0.698 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.023 0.119 -0.992 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.298 0.666 0.539 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -11.912 1.244 0.062 1.00 0.00 H new ATOM 372 N MET A 28 -8.045 5.218 1.124 1.00 0.00 N ATOM 373 CA MET A 28 -7.656 6.198 2.131 1.00 0.00 C ATOM 374 C MET A 28 -6.712 7.245 1.546 1.00 0.00 C ATOM 375 O MET A 28 -6.644 8.373 2.035 1.00 0.00 O ATOM 376 CB MET A 28 -6.989 5.501 3.319 1.00 0.00 C ATOM 377 CG MET A 28 -7.965 4.743 4.205 1.00 0.00 C ATOM 378 SD MET A 28 -8.347 5.624 5.731 1.00 0.00 S ATOM 379 CE MET A 28 -9.787 6.564 5.230 1.00 0.00 C ATOM 0 H MET A 28 -7.614 4.301 1.239 1.00 0.00 H new ATOM 0 HA MET A 28 -8.559 6.704 2.472 1.00 0.00 H new ATOM 0 HB2 MET A 28 -6.235 4.807 2.946 1.00 0.00 H new ATOM 0 HB3 MET A 28 -6.468 6.245 3.921 1.00 0.00 H new ATOM 0 HG2 MET A 28 -8.888 4.564 3.653 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.545 3.767 4.449 1.00 0.00 H new ATOM 0 HE1 MET A 28 -10.236 7.036 6.104 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.490 7.332 4.516 1.00 0.00 H new ATOM 0 HE3 MET A 28 -10.513 5.897 4.765 1.00 0.00 H new ATOM 389 N SER A 29 -5.983 6.868 0.500 1.00 0.00 N ATOM 390 CA SER A 29 -5.045 7.780 -0.144 1.00 0.00 C ATOM 391 C SER A 29 -3.973 8.241 0.839 1.00 0.00 C ATOM 392 O SER A 29 -3.464 9.358 0.738 1.00 0.00 O ATOM 393 CB SER A 29 -5.787 8.991 -0.712 1.00 0.00 C ATOM 394 OG SER A 29 -5.159 9.469 -1.889 1.00 0.00 O ATOM 0 H SER A 29 -6.024 5.939 0.081 1.00 0.00 H new ATOM 0 HA SER A 29 -4.559 7.245 -0.960 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.819 8.718 -0.932 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.819 9.785 0.035 1.00 0.00 H new ATOM 0 HG SER A 29 -5.654 10.242 -2.233 1.00 0.00 H new ATOM 400 N THR A 30 -3.634 7.374 1.788 1.00 0.00 N ATOM 401 CA THR A 30 -2.622 7.693 2.789 1.00 0.00 C ATOM 402 C THR A 30 -1.574 6.589 2.873 1.00 0.00 C ATOM 403 O THR A 30 -1.684 5.562 2.204 1.00 0.00 O ATOM 404 CB THR A 30 -3.274 7.900 4.157 1.00 0.00 C ATOM 405 OG1 THR A 30 -3.985 6.741 4.554 1.00 0.00 O ATOM 406 CG2 THR A 30 -4.240 9.064 4.189 1.00 0.00 C ATOM 0 H THR A 30 -4.045 6.446 1.885 1.00 0.00 H new ATOM 0 HA THR A 30 -2.127 8.616 2.488 1.00 0.00 H new ATOM 0 HB THR A 30 -2.451 8.112 4.840 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.393 6.892 5.432 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.667 9.155 5.188 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.711 9.983 3.935 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.039 8.894 3.467 1.00 0.00 H new ATOM 414 N LEU A 31 -0.557 6.807 3.701 1.00 0.00 N ATOM 415 CA LEU A 31 0.512 5.830 3.875 1.00 0.00 C ATOM 416 C LEU A 31 -0.031 4.525 4.448 1.00 0.00 C ATOM 417 O LEU A 31 -0.688 4.519 5.490 1.00 0.00 O ATOM 418 CB LEU A 31 1.599 6.391 4.792 1.00 0.00 C ATOM 419 CG LEU A 31 2.864 5.536 4.896 1.00 0.00 C ATOM 420 CD1 LEU A 31 3.627 5.551 3.581 1.00 0.00 C ATOM 421 CD2 LEU A 31 3.747 6.029 6.033 1.00 0.00 C ATOM 0 H LEU A 31 -0.451 7.652 4.262 1.00 0.00 H new ATOM 0 HA LEU A 31 0.944 5.623 2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.877 7.383 4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.181 6.517 5.791 1.00 0.00 H new ATOM 0 HG LEU A 31 2.570 4.508 5.110 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.523 4.938 3.673 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.994 5.151 2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.911 6.575 3.337 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.642 5.410 6.093 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.033 7.064 5.849 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.199 5.966 6.973 1.00 0.00 H new ATOM 433 N MET A 32 0.248 3.422 3.762 1.00 0.00 N ATOM 434 CA MET A 32 -0.213 2.111 4.203 1.00 0.00 C ATOM 435 C MET A 32 0.775 1.487 5.183 1.00 0.00 C ATOM 436 O MET A 32 1.965 1.365 4.888 1.00 0.00 O ATOM 437 CB MET A 32 -0.409 1.185 3.000 1.00 0.00 C ATOM 438 CG MET A 32 -1.730 1.395 2.279 1.00 0.00 C ATOM 439 SD MET A 32 -2.145 0.028 1.179 1.00 0.00 S ATOM 440 CE MET A 32 -0.827 0.153 -0.027 1.00 0.00 C ATOM 0 H MET A 32 0.791 3.410 2.899 1.00 0.00 H new ATOM 0 HA MET A 32 -1.168 2.242 4.712 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.408 1.340 2.296 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.348 0.150 3.335 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.525 1.519 3.014 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.682 2.319 1.702 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.965 -0.606 -0.797 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.845 1.142 -0.485 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.133 -0.001 0.466 1.00 0.00 H new ATOM 450 N CYS A 33 0.277 1.095 6.350 1.00 0.00 N ATOM 451 CA CYS A 33 1.116 0.483 7.374 1.00 0.00 C ATOM 452 C CYS A 33 1.118 -1.036 7.237 1.00 0.00 C ATOM 453 O CYS A 33 2.176 -1.666 7.219 1.00 0.00 O ATOM 454 CB CYS A 33 0.627 0.880 8.768 1.00 0.00 C ATOM 455 SG CYS A 33 1.955 1.139 9.969 1.00 0.00 S ATOM 0 H CYS A 33 -0.704 1.190 6.611 1.00 0.00 H new ATOM 0 HA CYS A 33 2.135 0.844 7.238 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.040 1.795 8.689 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.041 0.104 9.142 1.00 0.00 H new ATOM 0 HG CYS A 33 1.443 1.473 11.116 1.00 0.00 H new ATOM 461 N ASP A 34 -0.072 -1.618 7.140 1.00 0.00 N ATOM 462 CA ASP A 34 -0.209 -3.064 7.003 1.00 0.00 C ATOM 463 C ASP A 34 -1.086 -3.416 5.805 1.00 0.00 C ATOM 464 O ASP A 34 -2.267 -3.728 5.959 1.00 0.00 O ATOM 465 CB ASP A 34 -0.802 -3.664 8.278 1.00 0.00 C ATOM 466 CG ASP A 34 0.263 -4.050 9.286 1.00 0.00 C ATOM 467 OD1 ASP A 34 0.767 -3.151 9.991 1.00 0.00 O ATOM 468 OD2 ASP A 34 0.593 -5.252 9.370 1.00 0.00 O ATOM 0 H ASP A 34 -0.957 -1.111 7.154 1.00 0.00 H new ATOM 0 HA ASP A 34 0.783 -3.484 6.840 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.484 -2.945 8.732 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.392 -4.544 8.022 1.00 0.00 H new ATOM 473 N PRO A 35 -0.518 -3.367 4.587 1.00 0.00 N ATOM 474 CA PRO A 35 -1.255 -3.682 3.359 1.00 0.00 C ATOM 475 C PRO A 35 -1.592 -5.164 3.249 1.00 0.00 C ATOM 476 O PRO A 35 -0.700 -6.009 3.153 1.00 0.00 O ATOM 477 CB PRO A 35 -0.287 -3.269 2.248 1.00 0.00 C ATOM 478 CG PRO A 35 1.064 -3.371 2.866 1.00 0.00 C ATOM 479 CD PRO A 35 0.885 -3.003 4.313 1.00 0.00 C ATOM 0 HA PRO A 35 -2.216 -3.169 3.318 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.376 -3.924 1.381 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.489 -2.255 1.903 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.464 -4.380 2.766 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.769 -2.699 2.377 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.575 -3.550 4.955 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.065 -1.942 4.483 1.00 0.00 H new ATOM 487 N VAL A 36 -2.884 -5.474 3.262 1.00 0.00 N ATOM 488 CA VAL A 36 -3.339 -6.856 3.163 1.00 0.00 C ATOM 489 C VAL A 36 -3.833 -7.172 1.754 1.00 0.00 C ATOM 490 O VAL A 36 -4.632 -6.429 1.186 1.00 0.00 O ATOM 491 CB VAL A 36 -4.470 -7.148 4.167 1.00 0.00 C ATOM 492 CG1 VAL A 36 -3.916 -7.252 5.580 1.00 0.00 C ATOM 493 CG2 VAL A 36 -5.547 -6.078 4.085 1.00 0.00 C ATOM 0 H VAL A 36 -3.634 -4.787 3.340 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.483 -7.489 3.397 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.923 -8.105 3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.729 -7.459 6.275 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.185 -8.060 5.626 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.435 -6.312 5.852 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.337 -6.302 4.802 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.112 -5.106 4.316 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.965 -6.059 3.078 1.00 0.00 H new ATOM 503 N VAL A 37 -3.350 -8.277 1.198 1.00 0.00 N ATOM 504 CA VAL A 37 -3.743 -8.690 -0.144 1.00 0.00 C ATOM 505 C VAL A 37 -5.100 -9.384 -0.130 1.00 0.00 C ATOM 506 O VAL A 37 -5.255 -10.455 0.456 1.00 0.00 O ATOM 507 CB VAL A 37 -2.702 -9.639 -0.768 1.00 0.00 C ATOM 508 CG1 VAL A 37 -3.006 -9.871 -2.240 1.00 0.00 C ATOM 509 CG2 VAL A 37 -1.297 -9.083 -0.589 1.00 0.00 C ATOM 0 H VAL A 37 -2.686 -8.902 1.655 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.806 -7.784 -0.747 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.757 -10.598 -0.253 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.260 -10.544 -2.664 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.996 -10.316 -2.341 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.980 -8.920 -2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.575 -9.767 -1.036 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.226 -8.111 -1.076 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.082 -8.973 0.474 1.00 0.00 H new ATOM 519 N LEU A 38 -6.081 -8.768 -0.782 1.00 0.00 N ATOM 520 CA LEU A 38 -7.426 -9.327 -0.845 1.00 0.00 C ATOM 521 C LEU A 38 -7.483 -10.491 -1.833 1.00 0.00 C ATOM 522 O LEU A 38 -7.088 -10.350 -2.989 1.00 0.00 O ATOM 523 CB LEU A 38 -8.430 -8.247 -1.252 1.00 0.00 C ATOM 524 CG LEU A 38 -8.277 -6.912 -0.519 1.00 0.00 C ATOM 525 CD1 LEU A 38 -9.082 -5.825 -1.216 1.00 0.00 C ATOM 526 CD2 LEU A 38 -8.710 -7.050 0.933 1.00 0.00 C ATOM 0 H LEU A 38 -5.969 -7.882 -1.274 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.687 -9.700 0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.335 -8.069 -2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.438 -8.625 -1.080 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.225 -6.626 -0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.961 -4.883 -0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.726 -5.709 -2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.136 -6.103 -1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.595 -6.092 1.440 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.755 -7.359 0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.091 -7.799 1.428 1.00 0.00 H new ATOM 538 N PRO A 39 -7.974 -11.665 -1.392 1.00 0.00 N ATOM 539 CA PRO A 39 -8.073 -12.848 -2.250 1.00 0.00 C ATOM 540 C PRO A 39 -9.253 -12.784 -3.219 1.00 0.00 C ATOM 541 O PRO A 39 -9.461 -13.700 -4.014 1.00 0.00 O ATOM 542 CB PRO A 39 -8.271 -13.983 -1.247 1.00 0.00 C ATOM 543 CG PRO A 39 -8.975 -13.348 -0.098 1.00 0.00 C ATOM 544 CD PRO A 39 -8.466 -11.932 -0.025 1.00 0.00 C ATOM 0 HA PRO A 39 -7.197 -12.960 -2.889 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.861 -14.793 -1.676 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.317 -14.412 -0.940 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -10.055 -13.367 -0.245 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.770 -13.884 0.829 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.256 -11.237 0.259 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.671 -11.830 0.714 1.00 0.00 H new ATOM 552 N SER A 40 -10.025 -11.703 -3.148 1.00 0.00 N ATOM 553 CA SER A 40 -11.180 -11.534 -4.022 1.00 0.00 C ATOM 554 C SER A 40 -10.888 -10.530 -5.134 1.00 0.00 C ATOM 555 O SER A 40 -10.659 -10.909 -6.283 1.00 0.00 O ATOM 556 CB SER A 40 -12.396 -11.077 -3.212 1.00 0.00 C ATOM 557 OG SER A 40 -13.198 -12.182 -2.830 1.00 0.00 O ATOM 0 H SER A 40 -9.872 -10.934 -2.496 1.00 0.00 H new ATOM 0 HA SER A 40 -11.397 -12.499 -4.481 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.064 -10.540 -2.323 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.990 -10.380 -3.803 1.00 0.00 H new ATOM 0 HG SER A 40 -13.967 -11.864 -2.312 1.00 0.00 H new ATOM 563 N SER A 41 -10.903 -9.247 -4.786 1.00 0.00 N ATOM 564 CA SER A 41 -10.645 -8.187 -5.755 1.00 0.00 C ATOM 565 C SER A 41 -9.168 -8.133 -6.144 1.00 0.00 C ATOM 566 O SER A 41 -8.805 -7.500 -7.135 1.00 0.00 O ATOM 567 CB SER A 41 -11.082 -6.835 -5.189 1.00 0.00 C ATOM 568 OG SER A 41 -10.227 -6.420 -4.138 1.00 0.00 O ATOM 0 H SER A 41 -11.091 -8.916 -3.840 1.00 0.00 H new ATOM 0 HA SER A 41 -11.224 -8.409 -6.651 1.00 0.00 H new ATOM 0 HB2 SER A 41 -11.078 -6.087 -5.982 1.00 0.00 H new ATOM 0 HB3 SER A 41 -12.106 -6.905 -4.822 1.00 0.00 H new ATOM 0 HG SER A 41 -10.524 -6.824 -3.296 1.00 0.00 H new ATOM 574 N ARG A 42 -8.319 -8.794 -5.361 1.00 0.00 N ATOM 575 CA ARG A 42 -6.886 -8.812 -5.633 1.00 0.00 C ATOM 576 C ARG A 42 -6.306 -7.402 -5.574 1.00 0.00 C ATOM 577 O ARG A 42 -5.351 -7.083 -6.281 1.00 0.00 O ATOM 578 CB ARG A 42 -6.611 -9.432 -7.004 1.00 0.00 C ATOM 579 CG ARG A 42 -6.577 -10.951 -6.990 1.00 0.00 C ATOM 580 CD ARG A 42 -7.884 -11.544 -7.490 1.00 0.00 C ATOM 581 NE ARG A 42 -8.220 -12.790 -6.805 1.00 0.00 N ATOM 582 CZ ARG A 42 -7.678 -13.969 -7.103 1.00 0.00 C ATOM 583 NH1 ARG A 42 -6.774 -14.067 -8.069 1.00 0.00 N ATOM 584 NH2 ARG A 42 -8.042 -15.052 -6.431 1.00 0.00 N ATOM 0 H ARG A 42 -8.599 -9.323 -4.535 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.404 -9.419 -4.867 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.378 -9.101 -7.704 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.657 -9.059 -7.377 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.755 -11.303 -7.613 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.382 -11.302 -5.977 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.688 -10.823 -7.344 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.811 -11.728 -8.562 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.910 -12.755 -6.055 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.490 -13.236 -8.588 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.363 -14.973 -8.292 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.736 -14.981 -5.687 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.628 -15.956 -6.658 1.00 0.00 H new ATOM 598 N VAL A 43 -6.890 -6.564 -4.724 1.00 0.00 N ATOM 599 CA VAL A 43 -6.433 -5.188 -4.570 1.00 0.00 C ATOM 600 C VAL A 43 -5.832 -4.962 -3.186 1.00 0.00 C ATOM 601 O VAL A 43 -6.522 -5.072 -2.173 1.00 0.00 O ATOM 602 CB VAL A 43 -7.582 -4.185 -4.789 1.00 0.00 C ATOM 603 CG1 VAL A 43 -7.056 -2.758 -4.778 1.00 0.00 C ATOM 604 CG2 VAL A 43 -8.312 -4.482 -6.090 1.00 0.00 C ATOM 0 H VAL A 43 -7.681 -6.814 -4.131 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.668 -5.022 -5.328 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.292 -4.292 -3.969 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.882 -2.064 -4.934 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.585 -2.551 -3.817 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.323 -2.634 -5.575 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.120 -3.763 -6.226 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.614 -4.407 -6.924 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.726 -5.490 -6.053 1.00 0.00 H new ATOM 614 N THR A 44 -4.541 -4.647 -3.152 1.00 0.00 N ATOM 615 CA THR A 44 -3.847 -4.405 -1.892 1.00 0.00 C ATOM 616 C THR A 44 -4.448 -3.210 -1.160 1.00 0.00 C ATOM 617 O THR A 44 -4.672 -2.154 -1.752 1.00 0.00 O ATOM 618 CB THR A 44 -2.357 -4.167 -2.145 1.00 0.00 C ATOM 619 OG1 THR A 44 -1.942 -4.808 -3.338 1.00 0.00 O ATOM 620 CG2 THR A 44 -1.473 -4.667 -1.023 1.00 0.00 C ATOM 0 H THR A 44 -3.955 -4.553 -3.982 1.00 0.00 H new ATOM 0 HA THR A 44 -3.966 -5.288 -1.265 1.00 0.00 H new ATOM 0 HB THR A 44 -2.245 -3.085 -2.219 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.987 -4.643 -3.483 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.429 -4.467 -1.266 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.735 -4.154 -0.097 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.617 -5.740 -0.897 1.00 0.00 H new ATOM 628 N VAL A 45 -4.706 -3.384 0.133 1.00 0.00 N ATOM 629 CA VAL A 45 -5.280 -2.319 0.947 1.00 0.00 C ATOM 630 C VAL A 45 -4.946 -2.516 2.422 1.00 0.00 C ATOM 631 O VAL A 45 -4.715 -3.639 2.871 1.00 0.00 O ATOM 632 CB VAL A 45 -6.810 -2.248 0.784 1.00 0.00 C ATOM 633 CG1 VAL A 45 -7.178 -1.842 -0.635 1.00 0.00 C ATOM 634 CG2 VAL A 45 -7.449 -3.579 1.149 1.00 0.00 C ATOM 0 H VAL A 45 -4.527 -4.252 0.638 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.842 -1.384 0.598 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.194 -1.489 1.465 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.263 -1.797 -0.731 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.754 -0.862 -0.855 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.782 -2.575 -1.338 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.530 -3.509 1.028 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.060 -4.360 0.496 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.215 -3.823 2.185 1.00 0.00 H new ATOM 644 N ASP A 46 -4.924 -1.418 3.170 1.00 0.00 N ATOM 645 CA ASP A 46 -4.618 -1.470 4.595 1.00 0.00 C ATOM 646 C ASP A 46 -5.626 -2.343 5.336 1.00 0.00 C ATOM 647 O ASP A 46 -6.815 -2.342 5.019 1.00 0.00 O ATOM 648 CB ASP A 46 -4.610 -0.059 5.187 1.00 0.00 C ATOM 649 CG ASP A 46 -3.209 0.426 5.506 1.00 0.00 C ATOM 650 OD1 ASP A 46 -2.254 -0.055 4.862 1.00 0.00 O ATOM 651 OD2 ASP A 46 -3.068 1.288 6.399 1.00 0.00 O ATOM 0 H ASP A 46 -5.114 -0.482 2.813 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.628 -1.911 4.714 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.079 0.630 4.484 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.212 -0.046 6.096 1.00 0.00 H new ATOM 656 N ARG A 47 -5.142 -3.087 6.327 1.00 0.00 N ATOM 657 CA ARG A 47 -6.000 -3.964 7.114 1.00 0.00 C ATOM 658 C ARG A 47 -7.098 -3.169 7.814 1.00 0.00 C ATOM 659 O ARG A 47 -8.183 -3.688 8.075 1.00 0.00 O ATOM 660 CB ARG A 47 -5.171 -4.727 8.149 1.00 0.00 C ATOM 661 CG ARG A 47 -5.668 -6.142 8.405 1.00 0.00 C ATOM 662 CD ARG A 47 -6.364 -6.255 9.751 1.00 0.00 C ATOM 663 NE ARG A 47 -6.364 -7.627 10.253 1.00 0.00 N ATOM 664 CZ ARG A 47 -6.572 -7.951 11.528 1.00 0.00 C ATOM 665 NH1 ARG A 47 -6.798 -7.006 12.432 1.00 0.00 N ATOM 666 NH2 ARG A 47 -6.554 -9.224 11.900 1.00 0.00 N ATOM 0 H ARG A 47 -4.160 -3.099 6.603 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.469 -4.676 6.435 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.135 -4.770 7.812 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.178 -4.173 9.088 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.357 -6.435 7.613 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.828 -6.835 8.370 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.868 -5.605 10.472 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.391 -5.903 9.659 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.195 -8.381 9.588 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.813 -6.025 12.152 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.957 -7.260 13.407 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.381 -9.955 11.210 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.713 -9.472 12.876 1.00 0.00 H new ATOM 680 N SER A 48 -6.810 -1.907 8.116 1.00 0.00 N ATOM 681 CA SER A 48 -7.774 -1.042 8.785 1.00 0.00 C ATOM 682 C SER A 48 -8.771 -0.462 7.787 1.00 0.00 C ATOM 683 O SER A 48 -9.926 -0.204 8.126 1.00 0.00 O ATOM 684 CB SER A 48 -7.052 0.089 9.519 1.00 0.00 C ATOM 685 OG SER A 48 -7.880 0.661 10.516 1.00 0.00 O ATOM 0 H SER A 48 -5.917 -1.461 7.908 1.00 0.00 H new ATOM 0 HA SER A 48 -8.323 -1.644 9.509 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.139 -0.294 9.976 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.753 0.857 8.806 1.00 0.00 H new ATOM 0 HG SER A 48 -7.395 1.380 10.971 1.00 0.00 H new ATOM 691 N THR A 49 -8.317 -0.259 6.554 1.00 0.00 N ATOM 692 CA THR A 49 -9.170 0.292 5.507 1.00 0.00 C ATOM 693 C THR A 49 -10.259 -0.700 5.113 1.00 0.00 C ATOM 694 O THR A 49 -11.404 -0.318 4.872 1.00 0.00 O ATOM 695 CB THR A 49 -8.334 0.663 4.281 1.00 0.00 C ATOM 696 OG1 THR A 49 -7.162 1.360 4.665 1.00 0.00 O ATOM 697 CG2 THR A 49 -9.079 1.529 3.288 1.00 0.00 C ATOM 0 H THR A 49 -7.364 -0.468 6.256 1.00 0.00 H new ATOM 0 HA THR A 49 -9.647 1.191 5.898 1.00 0.00 H new ATOM 0 HB THR A 49 -8.090 -0.285 3.801 1.00 0.00 H new ATOM 0 HG1 THR A 49 -6.782 1.815 3.885 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.429 1.755 2.443 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.963 0.998 2.934 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.383 2.458 3.771 1.00 0.00 H new ATOM 705 N ILE A 50 -9.893 -1.974 5.051 1.00 0.00 N ATOM 706 CA ILE A 50 -10.837 -3.024 4.688 1.00 0.00 C ATOM 707 C ILE A 50 -11.783 -3.334 5.844 1.00 0.00 C ATOM 708 O ILE A 50 -12.947 -3.675 5.633 1.00 0.00 O ATOM 709 CB ILE A 50 -10.108 -4.318 4.268 1.00 0.00 C ATOM 710 CG1 ILE A 50 -11.113 -5.359 3.770 1.00 0.00 C ATOM 711 CG2 ILE A 50 -9.291 -4.873 5.426 1.00 0.00 C ATOM 712 CD1 ILE A 50 -11.773 -4.984 2.461 1.00 0.00 C ATOM 0 H ILE A 50 -8.949 -2.306 5.247 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.414 -2.653 3.840 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.425 -4.080 3.452 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.604 -6.315 3.650 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.883 -5.501 4.528 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.785 -5.785 5.110 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.550 -4.135 5.735 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.952 -5.097 6.263 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.472 -5.767 2.169 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.311 -4.043 2.581 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -11.012 -4.871 1.689 1.00 0.00 H new ATOM 724 N ALA A 51 -11.277 -3.211 7.067 1.00 0.00 N ATOM 725 CA ALA A 51 -12.077 -3.476 8.257 1.00 0.00 C ATOM 726 C ALA A 51 -13.322 -2.596 8.288 1.00 0.00 C ATOM 727 O ALA A 51 -14.413 -3.057 8.622 1.00 0.00 O ATOM 728 CB ALA A 51 -11.245 -3.259 9.512 1.00 0.00 C ATOM 0 H ALA A 51 -10.316 -2.929 7.260 1.00 0.00 H new ATOM 0 HA ALA A 51 -12.399 -4.517 8.223 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -11.855 -3.460 10.392 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.389 -3.933 9.502 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -10.894 -2.227 9.542 1.00 0.00 H new ATOM 734 N ARG A 52 -13.151 -1.326 7.934 1.00 0.00 N ATOM 735 CA ARG A 52 -14.262 -0.381 7.919 1.00 0.00 C ATOM 736 C ARG A 52 -15.332 -0.821 6.925 1.00 0.00 C ATOM 737 O ARG A 52 -16.528 -0.670 7.177 1.00 0.00 O ATOM 738 CB ARG A 52 -13.760 1.023 7.566 1.00 0.00 C ATOM 739 CG ARG A 52 -14.185 2.089 8.562 1.00 0.00 C ATOM 740 CD ARG A 52 -13.095 3.130 8.761 1.00 0.00 C ATOM 741 NE ARG A 52 -13.390 4.024 9.878 1.00 0.00 N ATOM 742 CZ ARG A 52 -13.219 3.694 11.157 1.00 0.00 C ATOM 743 NH1 ARG A 52 -12.757 2.494 11.484 1.00 0.00 N ATOM 744 NH2 ARG A 52 -13.512 4.568 12.110 1.00 0.00 N ATOM 0 H ARG A 52 -12.255 -0.928 7.654 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.705 -0.358 8.915 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.672 1.006 7.506 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.129 1.294 6.577 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -15.095 2.576 8.210 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.423 1.622 9.518 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.143 2.629 8.939 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.981 3.715 7.848 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.748 4.955 9.666 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.531 1.818 10.754 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.628 2.247 12.465 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -13.868 5.492 11.863 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -13.382 4.317 13.090 1.00 0.00 H new ATOM 758 N HIS A 53 -14.893 -1.367 5.796 1.00 0.00 N ATOM 759 CA HIS A 53 -15.811 -1.832 4.763 1.00 0.00 C ATOM 760 C HIS A 53 -16.458 -3.155 5.163 1.00 0.00 C ATOM 761 O HIS A 53 -17.546 -3.491 4.695 1.00 0.00 O ATOM 762 CB HIS A 53 -15.074 -1.993 3.432 1.00 0.00 C ATOM 763 CG HIS A 53 -15.988 -2.176 2.261 1.00 0.00 C ATOM 764 ND1 HIS A 53 -17.048 -1.343 1.976 1.00 0.00 N ATOM 765 CD2 HIS A 53 -15.985 -3.124 1.289 1.00 0.00 C ATOM 766 CE1 HIS A 53 -17.643 -1.800 0.865 1.00 0.00 C ATOM 767 NE2 HIS A 53 -17.035 -2.879 0.408 1.00 0.00 N ATOM 0 H HIS A 53 -13.906 -1.498 5.573 1.00 0.00 H new ATOM 0 HA HIS A 53 -16.597 -1.085 4.648 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -14.451 -1.115 3.262 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -14.405 -2.851 3.498 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -17.330 -0.524 2.515 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -15.280 -3.939 1.212 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -18.507 -1.345 0.404 1.00 0.00 H new ATOM 775 N LEU A 54 -15.782 -3.904 6.030 1.00 0.00 N ATOM 776 CA LEU A 54 -16.294 -5.190 6.490 1.00 0.00 C ATOM 777 C LEU A 54 -17.015 -5.044 7.827 1.00 0.00 C ATOM 778 O LEU A 54 -17.010 -5.961 8.648 1.00 0.00 O ATOM 779 CB LEU A 54 -15.150 -6.198 6.623 1.00 0.00 C ATOM 780 CG LEU A 54 -14.382 -6.483 5.331 1.00 0.00 C ATOM 781 CD1 LEU A 54 -13.257 -7.473 5.586 1.00 0.00 C ATOM 782 CD2 LEU A 54 -15.324 -7.007 4.257 1.00 0.00 C ATOM 0 H LEU A 54 -14.880 -3.642 6.427 1.00 0.00 H new ATOM 0 HA LEU A 54 -17.008 -5.554 5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -14.448 -5.830 7.371 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.556 -7.137 7.001 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.943 -5.550 4.978 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.722 -7.663 4.656 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.568 -7.059 6.322 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.673 -8.407 5.963 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.761 -7.205 3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -15.792 -7.929 4.602 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -16.094 -6.263 4.054 1.00 0.00 H new ATOM 794 N LEU A 55 -17.634 -3.887 8.038 1.00 0.00 N ATOM 795 CA LEU A 55 -18.360 -3.624 9.276 1.00 0.00 C ATOM 796 C LEU A 55 -19.823 -4.037 9.148 1.00 0.00 C ATOM 797 O LEU A 55 -20.339 -4.794 9.969 1.00 0.00 O ATOM 798 CB LEU A 55 -18.266 -2.141 9.641 1.00 0.00 C ATOM 799 CG LEU A 55 -16.906 -1.691 10.178 1.00 0.00 C ATOM 800 CD1 LEU A 55 -16.908 -0.194 10.448 1.00 0.00 C ATOM 801 CD2 LEU A 55 -16.552 -2.462 11.440 1.00 0.00 C ATOM 0 H LEU A 55 -17.648 -3.117 7.369 1.00 0.00 H new ATOM 0 HA LEU A 55 -17.903 -4.216 10.069 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.504 -1.549 8.757 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -19.027 -1.918 10.389 1.00 0.00 H new ATOM 0 HG LEU A 55 -16.149 -1.902 9.422 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -15.933 0.108 10.829 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -17.118 0.342 9.523 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -17.675 0.042 11.186 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.582 -2.130 11.809 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -17.311 -2.282 12.201 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.509 -3.528 11.215 1.00 0.00 H new ATOM 813 N SER A 56 -20.485 -3.533 8.111 1.00 0.00 N ATOM 814 CA SER A 56 -21.888 -3.850 7.875 1.00 0.00 C ATOM 815 C SER A 56 -22.034 -4.877 6.757 1.00 0.00 C ATOM 816 O SER A 56 -22.941 -5.710 6.781 1.00 0.00 O ATOM 817 CB SER A 56 -22.666 -2.581 7.521 1.00 0.00 C ATOM 818 OG SER A 56 -23.126 -1.922 8.688 1.00 0.00 O ATOM 0 H SER A 56 -20.072 -2.904 7.422 1.00 0.00 H new ATOM 0 HA SER A 56 -22.297 -4.276 8.791 1.00 0.00 H new ATOM 0 HB2 SER A 56 -22.029 -1.908 6.947 1.00 0.00 H new ATOM 0 HB3 SER A 56 -23.514 -2.836 6.886 1.00 0.00 H new ATOM 0 HG SER A 56 -23.618 -1.114 8.435 1.00 0.00 H new ATOM 824 N ASP A 57 -21.136 -4.813 5.780 1.00 0.00 N ATOM 825 CA ASP A 57 -21.164 -5.739 4.654 1.00 0.00 C ATOM 826 C ASP A 57 -19.802 -6.398 4.458 1.00 0.00 C ATOM 827 O ASP A 57 -18.861 -5.770 3.974 1.00 0.00 O ATOM 828 CB ASP A 57 -21.577 -5.007 3.376 1.00 0.00 C ATOM 829 CG ASP A 57 -23.008 -4.509 3.432 1.00 0.00 C ATOM 830 OD1 ASP A 57 -23.317 -3.691 4.324 1.00 0.00 O ATOM 831 OD2 ASP A 57 -23.820 -4.936 2.585 1.00 0.00 O ATOM 0 H ASP A 57 -20.380 -4.129 5.745 1.00 0.00 H new ATOM 0 HA ASP A 57 -21.896 -6.516 4.873 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -20.908 -4.163 3.212 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -21.461 -5.676 2.524 1.00 0.00 H new ATOM 836 N GLN A 58 -19.705 -7.668 4.838 1.00 0.00 N ATOM 837 CA GLN A 58 -18.458 -8.413 4.705 1.00 0.00 C ATOM 838 C GLN A 58 -18.174 -8.741 3.242 1.00 0.00 C ATOM 839 O GLN A 58 -18.345 -9.880 2.806 1.00 0.00 O ATOM 840 CB GLN A 58 -18.518 -9.701 5.528 1.00 0.00 C ATOM 841 CG GLN A 58 -18.161 -9.503 6.992 1.00 0.00 C ATOM 842 CD GLN A 58 -19.384 -9.403 7.883 1.00 0.00 C ATOM 843 OE1 GLN A 58 -19.734 -10.350 8.587 1.00 0.00 O ATOM 844 NE2 GLN A 58 -20.042 -8.249 7.856 1.00 0.00 N ATOM 0 H GLN A 58 -20.475 -8.203 5.240 1.00 0.00 H new ATOM 0 HA GLN A 58 -17.648 -7.788 5.082 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -19.522 -10.119 5.461 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -17.838 -10.433 5.092 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -17.540 -10.334 7.326 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -17.565 -8.597 7.097 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -19.716 -7.490 7.257 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -20.873 -8.122 8.434 1.00 0.00 H new ATOM 853 N THR A 59 -17.738 -7.736 2.491 1.00 0.00 N ATOM 854 CA THR A 59 -17.428 -7.917 1.077 1.00 0.00 C ATOM 855 C THR A 59 -16.329 -6.955 0.636 1.00 0.00 C ATOM 856 O THR A 59 -15.823 -6.167 1.435 1.00 0.00 O ATOM 857 CB THR A 59 -18.681 -7.703 0.227 1.00 0.00 C ATOM 858 OG1 THR A 59 -19.152 -6.372 0.354 1.00 0.00 O ATOM 859 CG2 THR A 59 -19.820 -8.630 0.594 1.00 0.00 C ATOM 0 H THR A 59 -17.591 -6.788 2.837 1.00 0.00 H new ATOM 0 HA THR A 59 -17.073 -8.938 0.935 1.00 0.00 H new ATOM 0 HB THR A 59 -18.375 -7.918 -0.797 1.00 0.00 H new ATOM 0 HG1 THR A 59 -20.065 -6.381 0.710 1.00 0.00 H new ATOM 0 HG21 THR A 59 -20.677 -8.425 -0.047 1.00 0.00 H new ATOM 0 HG22 THR A 59 -19.505 -9.665 0.459 1.00 0.00 H new ATOM 0 HG23 THR A 59 -20.099 -8.469 1.635 1.00 0.00 H new ATOM 867 N ASP A 60 -15.963 -7.025 -0.639 1.00 0.00 N ATOM 868 CA ASP A 60 -14.923 -6.159 -1.184 1.00 0.00 C ATOM 869 C ASP A 60 -15.525 -4.872 -1.745 1.00 0.00 C ATOM 870 O ASP A 60 -16.623 -4.881 -2.299 1.00 0.00 O ATOM 871 CB ASP A 60 -14.141 -6.892 -2.276 1.00 0.00 C ATOM 872 CG ASP A 60 -12.766 -7.330 -1.808 1.00 0.00 C ATOM 873 OD1 ASP A 60 -12.206 -6.665 -0.912 1.00 0.00 O ATOM 874 OD2 ASP A 60 -12.252 -8.336 -2.338 1.00 0.00 O ATOM 0 H ASP A 60 -16.370 -7.672 -1.314 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.242 -5.896 -0.375 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.707 -7.765 -2.600 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.036 -6.240 -3.143 1.00 0.00 H new ATOM 879 N PRO A 61 -14.810 -3.741 -1.607 1.00 0.00 N ATOM 880 CA PRO A 61 -15.280 -2.446 -2.102 1.00 0.00 C ATOM 881 C PRO A 61 -15.150 -2.312 -3.619 1.00 0.00 C ATOM 882 O PRO A 61 -15.565 -1.307 -4.196 1.00 0.00 O ATOM 883 CB PRO A 61 -14.359 -1.451 -1.398 1.00 0.00 C ATOM 884 CG PRO A 61 -13.091 -2.203 -1.183 1.00 0.00 C ATOM 885 CD PRO A 61 -13.487 -3.638 -0.957 1.00 0.00 C ATOM 0 HA PRO A 61 -16.340 -2.293 -1.899 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -14.195 -0.562 -2.008 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -14.786 -1.115 -0.453 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -12.433 -2.112 -2.047 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.546 -1.810 -0.325 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.768 -4.327 -1.400 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.543 -3.876 0.105 1.00 0.00 H new ATOM 893 N PHE A 62 -14.572 -3.325 -4.259 1.00 0.00 N ATOM 894 CA PHE A 62 -14.390 -3.308 -5.706 1.00 0.00 C ATOM 895 C PHE A 62 -15.154 -4.453 -6.366 1.00 0.00 C ATOM 896 O PHE A 62 -15.877 -4.247 -7.340 1.00 0.00 O ATOM 897 CB PHE A 62 -12.903 -3.407 -6.056 1.00 0.00 C ATOM 898 CG PHE A 62 -12.020 -2.560 -5.185 1.00 0.00 C ATOM 899 CD1 PHE A 62 -12.096 -1.177 -5.233 1.00 0.00 C ATOM 900 CD2 PHE A 62 -11.114 -3.148 -4.317 1.00 0.00 C ATOM 901 CE1 PHE A 62 -11.284 -0.397 -4.433 1.00 0.00 C ATOM 902 CE2 PHE A 62 -10.300 -2.373 -3.513 1.00 0.00 C ATOM 903 CZ PHE A 62 -10.386 -0.995 -3.571 1.00 0.00 C ATOM 0 H PHE A 62 -14.223 -4.166 -3.799 1.00 0.00 H new ATOM 0 HA PHE A 62 -14.785 -2.365 -6.084 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -12.588 -4.447 -5.975 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.763 -3.112 -7.096 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -12.798 -0.704 -5.904 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -11.043 -4.225 -4.268 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -11.351 0.680 -4.482 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -9.598 -2.843 -2.841 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.752 -0.387 -2.943 1.00 0.00 H new ATOM 913 N ASN A 63 -14.985 -5.658 -5.832 1.00 0.00 N ATOM 914 CA ASN A 63 -15.657 -6.835 -6.373 1.00 0.00 C ATOM 915 C ASN A 63 -17.003 -7.060 -5.695 1.00 0.00 C ATOM 916 O ASN A 63 -17.940 -7.574 -6.308 1.00 0.00 O ATOM 917 CB ASN A 63 -14.774 -8.073 -6.204 1.00 0.00 C ATOM 918 CG ASN A 63 -13.687 -8.155 -7.258 1.00 0.00 C ATOM 919 OD1 ASN A 63 -12.988 -7.176 -7.523 1.00 0.00 O ATOM 920 ND2 ASN A 63 -13.537 -9.326 -7.865 1.00 0.00 N ATOM 0 H ASN A 63 -14.389 -5.846 -5.026 1.00 0.00 H new ATOM 0 HA ASN A 63 -15.834 -6.663 -7.435 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -14.317 -8.058 -5.215 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -15.394 -8.968 -6.255 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -12.821 -9.441 -8.582 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -14.138 -10.111 -7.614 1.00 0.00 H new ATOM 927 N ARG A 64 -17.096 -6.674 -4.426 1.00 0.00 N ATOM 928 CA ARG A 64 -18.330 -6.837 -3.665 1.00 0.00 C ATOM 929 C ARG A 64 -18.691 -8.313 -3.526 1.00 0.00 C ATOM 930 O ARG A 64 -19.864 -8.683 -3.578 1.00 0.00 O ATOM 931 CB ARG A 64 -19.475 -6.078 -4.342 1.00 0.00 C ATOM 932 CG ARG A 64 -20.263 -5.193 -3.390 1.00 0.00 C ATOM 933 CD ARG A 64 -21.027 -6.016 -2.365 1.00 0.00 C ATOM 934 NE ARG A 64 -22.331 -5.435 -2.057 1.00 0.00 N ATOM 935 CZ ARG A 64 -22.500 -4.361 -1.289 1.00 0.00 C ATOM 936 NH1 ARG A 64 -21.452 -3.750 -0.750 1.00 0.00 N ATOM 937 NH2 ARG A 64 -23.721 -3.896 -1.059 1.00 0.00 N ATOM 0 H ARG A 64 -16.332 -6.246 -3.903 1.00 0.00 H new ATOM 0 HA ARG A 64 -18.172 -6.426 -2.668 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -19.068 -5.463 -5.144 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -20.153 -6.796 -4.803 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -19.583 -4.513 -2.878 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -20.961 -4.578 -3.958 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -21.162 -7.030 -2.742 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -20.439 -6.092 -1.450 1.00 0.00 H new ATOM 0 HE ARG A 64 -23.160 -5.878 -2.453 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -20.511 -4.103 -0.924 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -21.588 -2.927 -0.162 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -24.530 -4.361 -1.471 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -23.851 -3.073 -0.471 1.00 0.00 H new ATOM 951 N SER A 65 -17.675 -9.150 -3.346 1.00 0.00 N ATOM 952 CA SER A 65 -17.883 -10.586 -3.198 1.00 0.00 C ATOM 953 C SER A 65 -17.615 -11.028 -1.761 1.00 0.00 C ATOM 954 O SER A 65 -17.078 -10.266 -0.958 1.00 0.00 O ATOM 955 CB SER A 65 -16.977 -11.356 -4.160 1.00 0.00 C ATOM 956 OG SER A 65 -17.671 -11.708 -5.344 1.00 0.00 O ATOM 0 H SER A 65 -16.699 -8.859 -3.299 1.00 0.00 H new ATOM 0 HA SER A 65 -18.923 -10.805 -3.439 1.00 0.00 H new ATOM 0 HB2 SER A 65 -16.108 -10.748 -4.411 1.00 0.00 H new ATOM 0 HB3 SER A 65 -16.605 -12.257 -3.672 1.00 0.00 H new ATOM 0 HG SER A 65 -17.069 -12.198 -5.943 1.00 0.00 H new ATOM 962 N PRO A 66 -17.987 -12.274 -1.418 1.00 0.00 N ATOM 963 CA PRO A 66 -17.783 -12.816 -0.071 1.00 0.00 C ATOM 964 C PRO A 66 -16.343 -12.655 0.406 1.00 0.00 C ATOM 965 O PRO A 66 -15.434 -13.313 -0.100 1.00 0.00 O ATOM 966 CB PRO A 66 -18.132 -14.298 -0.226 1.00 0.00 C ATOM 967 CG PRO A 66 -19.070 -14.346 -1.381 1.00 0.00 C ATOM 968 CD PRO A 66 -18.633 -13.250 -2.315 1.00 0.00 C ATOM 0 HA PRO A 66 -18.389 -12.298 0.672 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -17.241 -14.897 -0.414 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -18.596 -14.692 0.678 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -19.032 -15.317 -1.874 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -20.099 -14.194 -1.055 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -17.941 -13.619 -3.072 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -19.479 -12.811 -2.844 1.00 0.00 H new ATOM 976 N LEU A 67 -16.143 -11.774 1.381 1.00 0.00 N ATOM 977 CA LEU A 67 -14.813 -11.527 1.926 1.00 0.00 C ATOM 978 C LEU A 67 -14.874 -11.310 3.435 1.00 0.00 C ATOM 979 O LEU A 67 -15.891 -10.865 3.967 1.00 0.00 O ATOM 980 CB LEU A 67 -14.182 -10.307 1.250 1.00 0.00 C ATOM 981 CG LEU A 67 -12.729 -10.031 1.640 1.00 0.00 C ATOM 982 CD1 LEU A 67 -11.795 -11.013 0.951 1.00 0.00 C ATOM 983 CD2 LEU A 67 -12.349 -8.598 1.295 1.00 0.00 C ATOM 0 H LEU A 67 -16.884 -11.220 1.809 1.00 0.00 H new ATOM 0 HA LEU A 67 -14.198 -12.405 1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -14.233 -10.442 0.170 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.780 -9.428 1.490 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.630 -10.164 2.717 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.766 -10.801 1.241 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -12.053 -12.030 1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.895 -10.914 -0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.312 -8.418 1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.464 -8.439 0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -12.998 -7.909 1.836 1.00 0.00 H new ATOM 995 N THR A 68 -13.779 -11.629 4.118 1.00 0.00 N ATOM 996 CA THR A 68 -13.709 -11.470 5.565 1.00 0.00 C ATOM 997 C THR A 68 -12.296 -11.097 6.003 1.00 0.00 C ATOM 998 O THR A 68 -11.402 -10.929 5.174 1.00 0.00 O ATOM 999 CB THR A 68 -14.148 -12.758 6.262 1.00 0.00 C ATOM 1000 OG1 THR A 68 -13.712 -13.895 5.537 1.00 0.00 O ATOM 1001 CG2 THR A 68 -15.648 -12.867 6.427 1.00 0.00 C ATOM 0 H THR A 68 -12.929 -11.999 3.692 1.00 0.00 H new ATOM 0 HA THR A 68 -14.384 -10.663 5.850 1.00 0.00 H new ATOM 0 HB THR A 68 -13.691 -12.721 7.251 1.00 0.00 H new ATOM 0 HG1 THR A 68 -14.120 -13.891 4.646 1.00 0.00 H new ATOM 0 HG21 THR A 68 -15.892 -13.804 6.928 1.00 0.00 H new ATOM 0 HG22 THR A 68 -16.010 -12.031 7.025 1.00 0.00 H new ATOM 0 HG23 THR A 68 -16.124 -12.845 5.447 1.00 0.00 H new ATOM 1009 N MET A 69 -12.104 -10.966 7.312 1.00 0.00 N ATOM 1010 CA MET A 69 -10.801 -10.611 7.861 1.00 0.00 C ATOM 1011 C MET A 69 -9.832 -11.787 7.767 1.00 0.00 C ATOM 1012 O MET A 69 -8.629 -11.599 7.587 1.00 0.00 O ATOM 1013 CB MET A 69 -10.943 -10.166 9.319 1.00 0.00 C ATOM 1014 CG MET A 69 -10.134 -8.923 9.656 1.00 0.00 C ATOM 1015 SD MET A 69 -11.151 -7.438 9.763 1.00 0.00 S ATOM 1016 CE MET A 69 -10.430 -6.440 8.462 1.00 0.00 C ATOM 0 H MET A 69 -12.834 -11.100 8.011 1.00 0.00 H new ATOM 0 HA MET A 69 -10.399 -9.785 7.274 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.995 -9.974 9.531 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.630 -10.981 9.971 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.620 -9.075 10.605 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.365 -8.778 8.897 1.00 0.00 H new ATOM 0 HE1 MET A 69 -11.220 -5.907 7.932 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.736 -5.721 8.897 1.00 0.00 H new ATOM 0 HE3 MET A 69 -9.895 -7.084 7.764 1.00 0.00 H new ATOM 1026 N ASP A 70 -10.365 -12.998 7.889 1.00 0.00 N ATOM 1027 CA ASP A 70 -9.547 -14.203 7.818 1.00 0.00 C ATOM 1028 C ASP A 70 -9.108 -14.478 6.383 1.00 0.00 C ATOM 1029 O ASP A 70 -8.011 -14.986 6.146 1.00 0.00 O ATOM 1030 CB ASP A 70 -10.322 -15.403 8.364 1.00 0.00 C ATOM 1031 CG ASP A 70 -10.090 -15.614 9.848 1.00 0.00 C ATOM 1032 OD1 ASP A 70 -9.071 -16.242 10.206 1.00 0.00 O ATOM 1033 OD2 ASP A 70 -10.928 -15.152 10.652 1.00 0.00 O ATOM 0 H ASP A 70 -11.359 -13.171 8.037 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.658 -14.045 8.428 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.387 -15.257 8.183 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.026 -16.301 7.821 1.00 0.00 H new ATOM 1038 N GLN A 71 -9.970 -14.141 5.430 1.00 0.00 N ATOM 1039 CA GLN A 71 -9.671 -14.351 4.019 1.00 0.00 C ATOM 1040 C GLN A 71 -8.481 -13.502 3.583 1.00 0.00 C ATOM 1041 O GLN A 71 -7.587 -13.981 2.885 1.00 0.00 O ATOM 1042 CB GLN A 71 -10.893 -14.017 3.161 1.00 0.00 C ATOM 1043 CG GLN A 71 -11.923 -15.133 3.109 1.00 0.00 C ATOM 1044 CD GLN A 71 -13.108 -14.793 2.226 1.00 0.00 C ATOM 1045 OE1 GLN A 71 -14.171 -14.409 2.714 1.00 0.00 O ATOM 1046 NE2 GLN A 71 -12.928 -14.932 0.918 1.00 0.00 N ATOM 0 H GLN A 71 -10.882 -13.721 5.610 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.415 -15.401 3.880 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.365 -13.116 3.552 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.564 -13.790 2.147 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.449 -16.043 2.740 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.276 -15.344 4.119 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.029 -15.253 0.558 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.688 -14.717 0.273 1.00 0.00 H new ATOM 1055 N ILE A 72 -8.478 -12.241 3.999 1.00 0.00 N ATOM 1056 CA ILE A 72 -7.398 -11.324 3.652 1.00 0.00 C ATOM 1057 C ILE A 72 -6.109 -11.694 4.380 1.00 0.00 C ATOM 1058 O ILE A 72 -6.142 -12.213 5.495 1.00 0.00 O ATOM 1059 CB ILE A 72 -7.766 -9.868 3.992 1.00 0.00 C ATOM 1060 CG1 ILE A 72 -8.119 -9.741 5.475 1.00 0.00 C ATOM 1061 CG2 ILE A 72 -8.923 -9.398 3.124 1.00 0.00 C ATOM 1062 CD1 ILE A 72 -7.940 -8.342 6.021 1.00 0.00 C ATOM 0 H ILE A 72 -9.211 -11.830 4.577 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.243 -11.410 2.576 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.903 -9.234 3.788 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.154 -10.050 5.622 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.497 -10.428 6.048 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.172 -8.367 3.376 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.637 -9.456 2.074 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.791 -10.034 3.299 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -8.209 -8.327 7.077 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.900 -8.037 5.907 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.582 -7.653 5.473 1.00 0.00 H new ATOM 1074 N ARG A 73 -4.977 -11.423 3.741 1.00 0.00 N ATOM 1075 CA ARG A 73 -3.677 -11.727 4.329 1.00 0.00 C ATOM 1076 C ARG A 73 -2.745 -10.520 4.243 1.00 0.00 C ATOM 1077 O ARG A 73 -2.821 -9.732 3.300 1.00 0.00 O ATOM 1078 CB ARG A 73 -3.042 -12.926 3.622 1.00 0.00 C ATOM 1079 CG ARG A 73 -4.001 -14.086 3.409 1.00 0.00 C ATOM 1080 CD ARG A 73 -4.106 -14.957 4.651 1.00 0.00 C ATOM 1081 NE ARG A 73 -5.336 -15.745 4.665 1.00 0.00 N ATOM 1082 CZ ARG A 73 -5.517 -16.825 5.423 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -4.550 -17.249 6.227 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -6.667 -17.483 5.375 1.00 0.00 N ATOM 0 H ARG A 73 -4.932 -10.994 2.817 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.830 -11.972 5.380 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.655 -12.604 2.655 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.190 -13.273 4.207 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.987 -13.701 3.149 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.662 -14.690 2.567 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.247 -15.626 4.698 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.069 -14.327 5.540 1.00 0.00 H new ATOM 0 HE ARG A 73 -6.101 -15.451 4.058 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.663 -16.747 6.267 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.694 -18.077 6.805 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.413 -17.162 4.758 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.806 -18.310 5.955 1.00 0.00 H new ATOM 1098 N PRO A 74 -1.849 -10.358 5.232 1.00 0.00 N ATOM 1099 CA PRO A 74 -0.901 -9.240 5.263 1.00 0.00 C ATOM 1100 C PRO A 74 0.196 -9.382 4.213 1.00 0.00 C ATOM 1101 O PRO A 74 0.960 -10.348 4.226 1.00 0.00 O ATOM 1102 CB PRO A 74 -0.308 -9.319 6.670 1.00 0.00 C ATOM 1103 CG PRO A 74 -0.429 -10.754 7.050 1.00 0.00 C ATOM 1104 CD PRO A 74 -1.689 -11.251 6.396 1.00 0.00 C ATOM 0 HA PRO A 74 -1.384 -8.288 5.042 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.732 -8.993 6.681 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.850 -8.678 7.365 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.437 -11.322 6.710 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.480 -10.868 8.133 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.599 -12.294 6.092 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.543 -11.188 7.070 1.00 0.00 H new ATOM 1112 N ASN A 75 0.269 -8.414 3.306 1.00 0.00 N ATOM 1113 CA ASN A 75 1.273 -8.432 2.249 1.00 0.00 C ATOM 1114 C ASN A 75 2.666 -8.184 2.817 1.00 0.00 C ATOM 1115 O ASN A 75 3.103 -7.040 2.938 1.00 0.00 O ATOM 1116 CB ASN A 75 0.947 -7.379 1.190 1.00 0.00 C ATOM 1117 CG ASN A 75 1.596 -7.681 -0.146 1.00 0.00 C ATOM 1118 OD1 ASN A 75 2.386 -8.618 -0.268 1.00 0.00 O ATOM 1119 ND2 ASN A 75 1.265 -6.888 -1.158 1.00 0.00 N ATOM 0 H ASN A 75 -0.355 -7.607 3.282 1.00 0.00 H new ATOM 0 HA ASN A 75 1.260 -9.419 1.787 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.134 -7.321 1.061 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.279 -6.402 1.539 1.00 0.00 H new ATOM 0 HD21 ASN A 75 1.670 -7.044 -2.081 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.606 -6.123 -1.012 1.00 0.00 H new ATOM 1126 N THR A 76 3.359 -9.263 3.164 1.00 0.00 N ATOM 1127 CA THR A 76 4.703 -9.163 3.720 1.00 0.00 C ATOM 1128 C THR A 76 5.680 -8.613 2.684 1.00 0.00 C ATOM 1129 O THR A 76 6.625 -7.901 3.024 1.00 0.00 O ATOM 1130 CB THR A 76 5.179 -10.531 4.210 1.00 0.00 C ATOM 1131 OG1 THR A 76 4.076 -11.348 4.561 1.00 0.00 O ATOM 1132 CG2 THR A 76 6.092 -10.451 5.414 1.00 0.00 C ATOM 0 H THR A 76 3.012 -10.217 3.070 1.00 0.00 H new ATOM 0 HA THR A 76 4.669 -8.475 4.564 1.00 0.00 H new ATOM 0 HB THR A 76 5.739 -10.958 3.378 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.814 -11.893 3.790 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.393 -11.456 5.710 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.977 -9.867 5.161 1.00 0.00 H new ATOM 0 HG23 THR A 76 5.565 -9.972 6.239 1.00 0.00 H new ATOM 1140 N GLU A 77 5.444 -8.950 1.420 1.00 0.00 N ATOM 1141 CA GLU A 77 6.303 -8.489 0.335 1.00 0.00 C ATOM 1142 C GLU A 77 6.209 -6.975 0.172 1.00 0.00 C ATOM 1143 O GLU A 77 7.178 -6.321 -0.216 1.00 0.00 O ATOM 1144 CB GLU A 77 5.920 -9.183 -0.976 1.00 0.00 C ATOM 1145 CG GLU A 77 7.067 -9.948 -1.616 1.00 0.00 C ATOM 1146 CD GLU A 77 6.966 -9.990 -3.128 1.00 0.00 C ATOM 1147 OE1 GLU A 77 6.401 -9.042 -3.712 1.00 0.00 O ATOM 1148 OE2 GLU A 77 7.454 -10.971 -3.729 1.00 0.00 O ATOM 0 H GLU A 77 4.667 -9.539 1.122 1.00 0.00 H new ATOM 0 HA GLU A 77 7.333 -8.744 0.585 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.096 -9.871 -0.786 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.555 -8.435 -1.680 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.012 -9.485 -1.331 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.081 -10.966 -1.228 1.00 0.00 H new ATOM 1155 N LEU A 78 5.037 -6.424 0.471 1.00 0.00 N ATOM 1156 CA LEU A 78 4.817 -4.986 0.360 1.00 0.00 C ATOM 1157 C LEU A 78 5.293 -4.265 1.616 1.00 0.00 C ATOM 1158 O LEU A 78 5.866 -3.178 1.539 1.00 0.00 O ATOM 1159 CB LEU A 78 3.335 -4.694 0.119 1.00 0.00 C ATOM 1160 CG LEU A 78 3.019 -3.257 -0.302 1.00 0.00 C ATOM 1161 CD1 LEU A 78 3.840 -2.867 -1.521 1.00 0.00 C ATOM 1162 CD2 LEU A 78 1.532 -3.101 -0.585 1.00 0.00 C ATOM 0 H LEU A 78 4.225 -6.951 0.792 1.00 0.00 H new ATOM 0 HA LEU A 78 5.395 -4.618 -0.488 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.967 -5.372 -0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.783 -4.919 1.031 1.00 0.00 H new ATOM 0 HG LEU A 78 3.285 -2.590 0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.603 -1.842 -1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.901 -2.941 -1.284 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.605 -3.538 -2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.324 -2.073 -0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.242 -3.778 -1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.964 -3.340 0.314 1.00 0.00 H new ATOM 1174 N LYS A 79 5.053 -4.877 2.772 1.00 0.00 N ATOM 1175 CA LYS A 79 5.458 -4.292 4.046 1.00 0.00 C ATOM 1176 C LYS A 79 6.963 -4.047 4.077 1.00 0.00 C ATOM 1177 O LYS A 79 7.421 -2.998 4.532 1.00 0.00 O ATOM 1178 CB LYS A 79 5.053 -5.208 5.202 1.00 0.00 C ATOM 1179 CG LYS A 79 4.482 -4.463 6.398 1.00 0.00 C ATOM 1180 CD LYS A 79 5.504 -3.513 7.003 1.00 0.00 C ATOM 1181 CE LYS A 79 4.865 -2.571 8.010 1.00 0.00 C ATOM 1182 NZ LYS A 79 4.715 -1.194 7.464 1.00 0.00 N ATOM 0 H LYS A 79 4.580 -5.777 2.853 1.00 0.00 H new ATOM 0 HA LYS A 79 4.950 -3.334 4.157 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.314 -5.925 4.845 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.923 -5.781 5.523 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.599 -3.902 6.091 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.158 -5.179 7.153 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.292 -4.087 7.490 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.976 -2.933 6.210 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.887 -2.956 8.298 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.473 -2.539 8.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.957 -0.500 8.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.351 -1.072 6.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.732 -1.047 7.159 1.00 0.00 H new ATOM 1196 N GLU A 80 7.727 -5.018 3.589 1.00 0.00 N ATOM 1197 CA GLU A 80 9.180 -4.907 3.560 1.00 0.00 C ATOM 1198 C GLU A 80 9.614 -3.681 2.761 1.00 0.00 C ATOM 1199 O GLU A 80 10.647 -3.075 3.046 1.00 0.00 O ATOM 1200 CB GLU A 80 9.799 -6.169 2.956 1.00 0.00 C ATOM 1201 CG GLU A 80 9.722 -7.380 3.871 1.00 0.00 C ATOM 1202 CD GLU A 80 10.621 -8.513 3.416 1.00 0.00 C ATOM 1203 OE1 GLU A 80 10.859 -8.628 2.196 1.00 0.00 O ATOM 1204 OE2 GLU A 80 11.088 -9.284 4.280 1.00 0.00 O ATOM 0 H GLU A 80 7.363 -5.891 3.208 1.00 0.00 H new ATOM 0 HA GLU A 80 9.532 -4.795 4.586 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.293 -6.399 2.018 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.843 -5.972 2.714 1.00 0.00 H new ATOM 0 HG2 GLU A 80 10.000 -7.085 4.883 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.692 -7.733 3.914 1.00 0.00 H new ATOM 1211 N LYS A 81 8.817 -3.320 1.761 1.00 0.00 N ATOM 1212 CA LYS A 81 9.117 -2.166 0.923 1.00 0.00 C ATOM 1213 C LYS A 81 8.841 -0.866 1.672 1.00 0.00 C ATOM 1214 O LYS A 81 9.554 0.123 1.502 1.00 0.00 O ATOM 1215 CB LYS A 81 8.287 -2.212 -0.362 1.00 0.00 C ATOM 1216 CG LYS A 81 8.676 -3.348 -1.295 1.00 0.00 C ATOM 1217 CD LYS A 81 7.857 -3.321 -2.575 1.00 0.00 C ATOM 1218 CE LYS A 81 8.249 -2.150 -3.463 1.00 0.00 C ATOM 1219 NZ LYS A 81 7.063 -1.524 -4.111 1.00 0.00 N ATOM 0 H LYS A 81 7.958 -3.810 1.511 1.00 0.00 H new ATOM 0 HA LYS A 81 10.175 -2.201 0.665 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.233 -2.311 -0.101 1.00 0.00 H new ATOM 0 HB3 LYS A 81 8.397 -1.265 -0.890 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.736 -3.274 -1.538 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.531 -4.302 -0.789 1.00 0.00 H new ATOM 0 HD2 LYS A 81 7.999 -4.255 -3.119 1.00 0.00 H new ATOM 0 HD3 LYS A 81 6.797 -3.254 -2.329 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.774 -1.403 -2.868 1.00 0.00 H new ATOM 0 HE3 LYS A 81 8.943 -2.492 -4.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 7.372 -0.730 -4.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 6.576 -2.230 -4.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.412 -1.174 -3.379 1.00 0.00 H new ATOM 1233 N ILE A 82 7.806 -0.879 2.506 1.00 0.00 N ATOM 1234 CA ILE A 82 7.437 0.298 3.284 1.00 0.00 C ATOM 1235 C ILE A 82 8.415 0.518 4.434 1.00 0.00 C ATOM 1236 O ILE A 82 8.716 1.655 4.796 1.00 0.00 O ATOM 1237 CB ILE A 82 6.011 0.171 3.854 1.00 0.00 C ATOM 1238 CG1 ILE A 82 5.029 -0.224 2.750 1.00 0.00 C ATOM 1239 CG2 ILE A 82 5.584 1.477 4.507 1.00 0.00 C ATOM 1240 CD1 ILE A 82 3.704 -0.734 3.274 1.00 0.00 C ATOM 0 H ILE A 82 7.208 -1.691 2.660 1.00 0.00 H new ATOM 0 HA ILE A 82 7.473 1.152 2.608 1.00 0.00 H new ATOM 0 HB ILE A 82 6.008 -0.611 4.613 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.849 0.639 2.109 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.485 -0.994 2.128 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.575 1.372 4.905 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.270 1.720 5.318 1.00 0.00 H new ATOM 0 HG23 ILE A 82 5.601 2.277 3.766 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.058 -0.995 2.436 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.872 -1.616 3.891 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.226 0.042 3.872 1.00 0.00 H new ATOM 1252 N GLN A 83 8.907 -0.578 5.001 1.00 0.00 N ATOM 1253 CA GLN A 83 9.852 -0.507 6.110 1.00 0.00 C ATOM 1254 C GLN A 83 11.223 -0.048 5.624 1.00 0.00 C ATOM 1255 O GLN A 83 11.952 0.632 6.345 1.00 0.00 O ATOM 1256 CB GLN A 83 9.970 -1.869 6.795 1.00 0.00 C ATOM 1257 CG GLN A 83 8.633 -2.459 7.213 1.00 0.00 C ATOM 1258 CD GLN A 83 8.492 -2.580 8.718 1.00 0.00 C ATOM 1259 OE1 GLN A 83 9.029 -3.503 9.331 1.00 0.00 O ATOM 1260 NE2 GLN A 83 7.766 -1.647 9.322 1.00 0.00 N ATOM 0 H GLN A 83 8.667 -1.526 4.711 1.00 0.00 H new ATOM 0 HA GLN A 83 9.478 0.221 6.830 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.469 -2.564 6.119 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.605 -1.770 7.676 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.828 -1.835 6.826 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.518 -3.444 6.761 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.339 -0.900 8.775 1.00 0.00 H new ATOM 0 HE22 GLN A 83 7.635 -1.678 10.333 1.00 0.00 H new ATOM 1269 N ARG A 84 11.566 -0.423 4.395 1.00 0.00 N ATOM 1270 CA ARG A 84 12.848 -0.048 3.813 1.00 0.00 C ATOM 1271 C ARG A 84 12.869 1.433 3.451 1.00 0.00 C ATOM 1272 O ARG A 84 13.885 2.109 3.617 1.00 0.00 O ATOM 1273 CB ARG A 84 13.133 -0.893 2.569 1.00 0.00 C ATOM 1274 CG ARG A 84 14.615 -1.135 2.324 1.00 0.00 C ATOM 1275 CD ARG A 84 15.043 -0.649 0.948 1.00 0.00 C ATOM 1276 NE ARG A 84 15.180 -1.749 -0.003 1.00 0.00 N ATOM 1277 CZ ARG A 84 16.234 -2.562 -0.050 1.00 0.00 C ATOM 1278 NH1 ARG A 84 17.242 -2.402 0.798 1.00 0.00 N ATOM 1279 NH2 ARG A 84 16.278 -3.537 -0.947 1.00 0.00 N ATOM 0 H ARG A 84 10.974 -0.986 3.784 1.00 0.00 H new ATOM 0 HA ARG A 84 13.624 -0.233 4.556 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.628 -1.854 2.669 1.00 0.00 H new ATOM 0 HB3 ARG A 84 12.705 -0.397 1.697 1.00 0.00 H new ATOM 0 HG2 ARG A 84 15.199 -0.623 3.089 1.00 0.00 H new ATOM 0 HG3 ARG A 84 14.831 -2.199 2.418 1.00 0.00 H new ATOM 0 HD2 ARG A 84 14.311 0.066 0.572 1.00 0.00 H new ATOM 0 HD3 ARG A 84 15.993 -0.120 1.030 1.00 0.00 H new ATOM 0 HE ARG A 84 14.424 -1.904 -0.670 1.00 0.00 H new ATOM 0 HH11 ARG A 84 17.212 -1.654 1.490 1.00 0.00 H new ATOM 0 HH12 ARG A 84 18.047 -3.028 0.758 1.00 0.00 H new ATOM 0 HH21 ARG A 84 15.505 -3.664 -1.600 1.00 0.00 H new ATOM 0 HH22 ARG A 84 17.085 -4.160 -0.984 1.00 0.00 H new ATOM 1293 N TRP A 85 11.740 1.932 2.959 1.00 0.00 N ATOM 1294 CA TRP A 85 11.628 3.335 2.576 1.00 0.00 C ATOM 1295 C TRP A 85 11.415 4.217 3.803 1.00 0.00 C ATOM 1296 O TRP A 85 12.091 5.230 3.977 1.00 0.00 O ATOM 1297 CB TRP A 85 10.475 3.525 1.588 1.00 0.00 C ATOM 1298 CG TRP A 85 10.282 4.950 1.164 1.00 0.00 C ATOM 1299 CD1 TRP A 85 11.043 5.649 0.272 1.00 0.00 C ATOM 1300 CD2 TRP A 85 9.265 5.849 1.617 1.00 0.00 C ATOM 1301 NE1 TRP A 85 10.560 6.929 0.142 1.00 0.00 N ATOM 1302 CE2 TRP A 85 9.469 7.076 0.958 1.00 0.00 C ATOM 1303 CE3 TRP A 85 8.199 5.736 2.515 1.00 0.00 C ATOM 1304 CZ2 TRP A 85 8.647 8.181 1.170 1.00 0.00 C ATOM 1305 CZ3 TRP A 85 7.384 6.833 2.724 1.00 0.00 C ATOM 1306 CH2 TRP A 85 7.612 8.042 2.054 1.00 0.00 C ATOM 0 H TRP A 85 10.890 1.386 2.816 1.00 0.00 H new ATOM 0 HA TRP A 85 12.560 3.632 2.095 1.00 0.00 H new ATOM 0 HB2 TRP A 85 10.659 2.913 0.705 1.00 0.00 H new ATOM 0 HB3 TRP A 85 9.553 3.161 2.042 1.00 0.00 H new ATOM 0 HD1 TRP A 85 11.899 5.254 -0.254 1.00 0.00 H new ATOM 0 HE1 TRP A 85 10.950 7.652 -0.463 1.00 0.00 H new ATOM 0 HE3 TRP A 85 8.016 4.808 3.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 8.821 9.114 0.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 6.558 6.757 3.415 1.00 0.00 H new ATOM 0 HH2 TRP A 85 6.958 8.881 2.239 1.00 0.00 H new