USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 750 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: B 5 SER OG : rot 32:sc= 1.92 USER MOD Set 1.2: B 7 LYS NZ :NH3+ -139:sc= 2 (180deg=0.299) USER MOD Set 2.1: A 5 SER OG : rot 32:sc= 2.16 USER MOD Set 2.2: A 7 LYS NZ :NH3+ -140:sc= 2.21 (180deg=0.101) USER MOD Single : A 3 HIS : no HE2:sc= -0.351 K(o=-0.35,f=-7.3!) USER MOD Single : A 4 SER OG : rot 170:sc= -2.58! USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0274 USER MOD Single : A 22 MET CE :methyl 170:sc= -1.47 (180deg=-1.54) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= -1.11! K(o=-1.1!,f=-0.019) USER MOD Single : A 34 LYS NZ :NH3+ -174:sc= 1.19 (180deg=1.14) USER MOD Single : A 41 LYS NZ :NH3+ -175:sc= 1.21 (180deg=1.13) USER MOD Single : B 3 HIS : no HE2:sc= 0.133 K(o=0.13,f=-7.4!) USER MOD Single : B 4 SER OG : rot 100:sc= -3.72! USER MOD Single : B 11 ASN : amide:sc= -0.0184 K(o=-0.018,f=-0.84) USER MOD Single : B 12 SER OG : rot 180:sc= 0 USER MOD Single : B 20 THR OG1 : rot 180:sc= 0.0403 USER MOD Single : B 22 MET CE :methyl 175:sc= -1.65 (180deg=-1.66) USER MOD Single : B 23 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : B 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 28 ASN : amide:sc= -0.904! K(o=-0.9!,f=0) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0.741 (180deg=0.741) USER MOD Single : B 41 LYS NZ :NH3+ -171:sc= 1.17 (180deg=1.11) USER MOD ----------------------------------------------------------------- ATOM 279 N ILE A 2 -2.168 -10.711 4.977 1.00 0.00 N ATOM 280 CA ILE A 2 -3.537 -10.696 5.411 1.00 0.00 C ATOM 281 C ILE A 2 -4.378 -10.565 4.163 1.00 0.00 C ATOM 282 O ILE A 2 -4.330 -9.546 3.501 1.00 0.00 O ATOM 283 CB ILE A 2 -3.834 -9.525 6.390 1.00 0.00 C ATOM 284 CG1 ILE A 2 -2.931 -9.631 7.636 1.00 0.00 C ATOM 285 CG2 ILE A 2 -5.315 -9.521 6.791 1.00 0.00 C ATOM 286 CD1 ILE A 2 -3.083 -8.481 8.615 1.00 0.00 C ATOM 0 HA ILE A 2 -3.763 -11.610 5.960 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.617 -8.584 5.885 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.152 -10.565 8.153 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.891 -9.684 7.314 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.504 -8.695 7.476 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.933 -9.403 5.901 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.562 -10.463 7.281 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.414 -8.633 9.462 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.832 -7.544 8.118 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -4.113 -8.439 8.970 1.00 0.00 H new ATOM 298 N HIS A 3 -5.064 -11.618 3.806 1.00 0.00 N ATOM 299 CA HIS A 3 -5.849 -11.635 2.588 1.00 0.00 C ATOM 300 C HIS A 3 -7.268 -11.178 2.827 1.00 0.00 C ATOM 301 O HIS A 3 -7.995 -11.749 3.638 1.00 0.00 O ATOM 302 CB HIS A 3 -5.835 -13.024 1.907 1.00 0.00 C ATOM 303 CG HIS A 3 -4.540 -13.382 1.218 1.00 0.00 C ATOM 304 ND1 HIS A 3 -4.463 -13.854 -0.071 1.00 0.00 N ATOM 305 CD2 HIS A 3 -3.267 -13.344 1.663 1.00 0.00 C ATOM 306 CE1 HIS A 3 -3.190 -14.073 -0.362 1.00 0.00 C ATOM 307 NE2 HIS A 3 -2.413 -13.782 0.661 1.00 0.00 N ATOM 0 H HIS A 3 -5.099 -12.485 4.343 1.00 0.00 H new ATOM 0 HA HIS A 3 -5.376 -10.926 1.909 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -6.051 -13.783 2.659 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.642 -13.061 1.175 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -5.253 -14.009 -0.697 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -2.960 -13.022 2.647 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -2.835 -14.442 -1.313 1.00 0.00 H new ATOM 315 N SER A 4 -7.628 -10.129 2.164 1.00 0.00 N ATOM 316 CA SER A 4 -8.972 -9.609 2.190 1.00 0.00 C ATOM 317 C SER A 4 -9.574 -9.872 0.804 1.00 0.00 C ATOM 318 O SER A 4 -9.285 -10.907 0.200 1.00 0.00 O ATOM 319 CB SER A 4 -8.918 -8.105 2.491 1.00 0.00 C ATOM 320 OG SER A 4 -8.256 -7.401 1.460 1.00 0.00 O ATOM 0 H SER A 4 -6.991 -9.593 1.575 1.00 0.00 H new ATOM 0 HA SER A 4 -9.582 -10.083 2.959 1.00 0.00 H new ATOM 0 HB2 SER A 4 -9.930 -7.718 2.607 1.00 0.00 H new ATOM 0 HB3 SER A 4 -8.403 -7.939 3.437 1.00 0.00 H new ATOM 0 HG SER A 4 -8.375 -6.437 1.593 1.00 0.00 H new ATOM 326 N SER A 5 -10.382 -8.963 0.310 1.00 0.00 N ATOM 327 CA SER A 5 -10.946 -9.076 -1.001 1.00 0.00 C ATOM 328 C SER A 5 -11.423 -7.717 -1.458 1.00 0.00 C ATOM 329 O SER A 5 -11.960 -6.929 -0.658 1.00 0.00 O ATOM 330 CB SER A 5 -12.087 -10.121 -1.042 1.00 0.00 C ATOM 331 OG SER A 5 -12.579 -10.346 -2.374 1.00 0.00 O ATOM 0 H SER A 5 -10.664 -8.122 0.815 1.00 0.00 H new ATOM 0 HA SER A 5 -10.176 -9.430 -1.687 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.728 -11.063 -0.627 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.907 -9.784 -0.407 1.00 0.00 H new ATOM 0 HG SER A 5 -11.846 -10.239 -3.016 1.00 0.00 H new ATOM 337 N VAL A 6 -11.158 -7.420 -2.705 1.00 0.00 N ATOM 338 CA VAL A 6 -11.640 -6.212 -3.341 1.00 0.00 C ATOM 339 C VAL A 6 -13.061 -6.446 -3.741 1.00 0.00 C ATOM 340 O VAL A 6 -13.356 -7.336 -4.568 1.00 0.00 O ATOM 341 CB VAL A 6 -10.835 -5.853 -4.609 1.00 0.00 C ATOM 342 CG1 VAL A 6 -11.401 -4.623 -5.294 1.00 0.00 C ATOM 343 CG2 VAL A 6 -9.403 -5.625 -4.271 1.00 0.00 C ATOM 0 H VAL A 6 -10.597 -8.013 -3.316 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.535 -5.388 -2.635 1.00 0.00 H new ATOM 0 HB VAL A 6 -10.913 -6.695 -5.296 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.811 -4.398 -6.183 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.435 -4.811 -5.583 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.364 -3.776 -4.609 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.851 -5.373 -5.177 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -9.324 -4.805 -3.558 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.984 -6.530 -3.831 1.00 0.00 H new ATOM 353 N LYS A 7 -13.959 -5.717 -3.165 1.00 0.00 N ATOM 354 CA LYS A 7 -15.316 -5.915 -3.507 1.00 0.00 C ATOM 355 C LYS A 7 -15.784 -4.683 -4.278 1.00 0.00 C ATOM 356 O LYS A 7 -15.026 -3.726 -4.432 1.00 0.00 O ATOM 357 CB LYS A 7 -16.174 -6.143 -2.263 1.00 0.00 C ATOM 358 CG LYS A 7 -15.642 -7.119 -1.185 1.00 0.00 C ATOM 359 CD LYS A 7 -15.078 -8.442 -1.690 1.00 0.00 C ATOM 360 CE LYS A 7 -16.023 -9.282 -2.507 1.00 0.00 C ATOM 361 NZ LYS A 7 -15.408 -10.606 -2.755 1.00 0.00 N ATOM 0 H LYS A 7 -13.777 -4.994 -2.469 1.00 0.00 H new ATOM 0 HA LYS A 7 -15.419 -6.808 -4.124 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -16.337 -5.176 -1.787 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -17.148 -6.505 -2.591 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -14.863 -6.610 -0.617 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -16.453 -7.336 -0.490 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -14.193 -8.233 -2.291 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -14.749 -9.028 -0.832 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -16.970 -9.401 -1.981 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -16.243 -8.787 -3.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.610 -10.906 -3.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -14.379 -10.542 -2.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.802 -11.302 -2.090 1.00 0.00 H new ATOM 375 N ARG A 8 -16.995 -4.688 -4.755 1.00 0.00 N ATOM 376 CA ARG A 8 -17.479 -3.571 -5.516 1.00 0.00 C ATOM 377 C ARG A 8 -18.535 -2.800 -4.733 1.00 0.00 C ATOM 378 O ARG A 8 -19.600 -3.329 -4.419 1.00 0.00 O ATOM 379 CB ARG A 8 -18.027 -4.024 -6.848 1.00 0.00 C ATOM 380 CG ARG A 8 -18.458 -2.881 -7.729 1.00 0.00 C ATOM 381 CD ARG A 8 -18.941 -3.390 -9.045 1.00 0.00 C ATOM 382 NE ARG A 8 -17.844 -3.770 -9.947 1.00 0.00 N ATOM 383 CZ ARG A 8 -17.891 -4.767 -10.844 1.00 0.00 C ATOM 384 NH1 ARG A 8 -18.915 -5.603 -10.865 1.00 0.00 N ATOM 385 NH2 ARG A 8 -16.893 -4.935 -11.689 1.00 0.00 N ATOM 0 H ARG A 8 -17.663 -5.449 -4.632 1.00 0.00 H new ATOM 0 HA ARG A 8 -16.639 -2.902 -5.705 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -17.267 -4.608 -7.367 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -18.877 -4.685 -6.679 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -19.250 -2.315 -7.239 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -17.624 -2.196 -7.881 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -19.586 -4.253 -8.881 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -19.550 -2.624 -9.524 1.00 0.00 H new ATOM 0 HE ARG A 8 -16.979 -3.233 -9.886 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -19.677 -5.493 -10.196 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -18.943 -6.358 -11.550 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -16.089 -4.308 -11.659 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -16.925 -5.692 -12.372 1.00 0.00 H new ATOM 399 N TRP A 9 -18.223 -1.578 -4.411 1.00 0.00 N ATOM 400 CA TRP A 9 -19.103 -0.690 -3.674 1.00 0.00 C ATOM 401 C TRP A 9 -19.656 0.326 -4.664 1.00 0.00 C ATOM 402 O TRP A 9 -18.989 1.318 -5.008 1.00 0.00 O ATOM 403 CB TRP A 9 -18.297 -0.021 -2.549 1.00 0.00 C ATOM 404 CG TRP A 9 -19.035 0.892 -1.624 1.00 0.00 C ATOM 405 CD1 TRP A 9 -20.363 0.904 -1.373 1.00 0.00 C ATOM 406 CD2 TRP A 9 -18.464 1.927 -0.781 1.00 0.00 C ATOM 407 NE1 TRP A 9 -20.647 1.833 -0.429 1.00 0.00 N ATOM 408 CE2 TRP A 9 -19.530 2.484 -0.070 1.00 0.00 C ATOM 409 CE3 TRP A 9 -17.163 2.442 -0.545 1.00 0.00 C ATOM 410 CZ2 TRP A 9 -19.377 3.501 0.834 1.00 0.00 C ATOM 411 CZ3 TRP A 9 -17.022 3.457 0.356 1.00 0.00 C ATOM 412 CH2 TRP A 9 -18.138 3.979 1.036 1.00 0.00 C ATOM 0 H TRP A 9 -17.329 -1.152 -4.656 1.00 0.00 H new ATOM 0 HA TRP A 9 -19.935 -1.222 -3.212 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -17.837 -0.807 -1.950 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -17.487 0.546 -3.007 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -21.090 0.267 -1.854 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -21.575 2.012 -0.046 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -16.306 2.041 -1.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -20.225 3.906 1.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -16.041 3.865 0.550 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -17.994 4.786 1.739 1.00 0.00 H new ATOM 423 N GLY A 10 -20.835 0.048 -5.167 1.00 0.00 N ATOM 424 CA GLY A 10 -21.389 0.841 -6.222 1.00 0.00 C ATOM 425 C GLY A 10 -20.733 0.406 -7.492 1.00 0.00 C ATOM 426 O GLY A 10 -20.774 -0.773 -7.828 1.00 0.00 O ATOM 0 H GLY A 10 -21.425 -0.724 -4.858 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -22.469 0.704 -6.280 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -21.211 1.901 -6.041 1.00 0.00 H new ATOM 430 N ASN A 11 -20.111 1.306 -8.178 1.00 0.00 N ATOM 431 CA ASN A 11 -19.316 0.934 -9.339 1.00 0.00 C ATOM 432 C ASN A 11 -17.834 1.140 -9.048 1.00 0.00 C ATOM 433 O ASN A 11 -17.035 1.303 -9.968 1.00 0.00 O ATOM 434 CB ASN A 11 -19.716 1.744 -10.584 1.00 0.00 C ATOM 435 CG ASN A 11 -21.129 1.475 -11.057 1.00 0.00 C ATOM 436 OD1 ASN A 11 -21.376 0.561 -11.849 1.00 0.00 O ATOM 437 ND2 ASN A 11 -22.062 2.259 -10.601 1.00 0.00 N ATOM 0 H ASN A 11 -20.127 2.304 -7.970 1.00 0.00 H new ATOM 0 HA ASN A 11 -19.507 -0.119 -9.545 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -19.612 2.807 -10.364 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -19.022 1.516 -11.393 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -23.029 2.127 -10.897 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -21.826 3.006 -9.947 1.00 0.00 H new ATOM 444 N SER A 12 -17.436 1.060 -7.778 1.00 0.00 N ATOM 445 CA SER A 12 -16.097 1.348 -7.414 1.00 0.00 C ATOM 446 C SER A 12 -15.537 0.217 -6.568 1.00 0.00 C ATOM 447 O SER A 12 -16.216 -0.282 -5.670 1.00 0.00 O ATOM 448 CB SER A 12 -16.067 2.653 -6.636 1.00 0.00 C ATOM 449 OG SER A 12 -16.687 3.686 -7.388 1.00 0.00 O ATOM 0 H SER A 12 -18.042 0.795 -7.001 1.00 0.00 H new ATOM 0 HA SER A 12 -15.483 1.446 -8.309 1.00 0.00 H new ATOM 0 HB2 SER A 12 -16.581 2.529 -5.683 1.00 0.00 H new ATOM 0 HB3 SER A 12 -15.036 2.926 -6.409 1.00 0.00 H new ATOM 0 HG SER A 12 -16.664 4.522 -6.877 1.00 0.00 H new ATOM 455 N PRO A 13 -14.352 -0.254 -6.897 1.00 0.00 N ATOM 456 CA PRO A 13 -13.665 -1.258 -6.106 1.00 0.00 C ATOM 457 C PRO A 13 -13.310 -0.715 -4.728 1.00 0.00 C ATOM 458 O PRO A 13 -12.626 0.315 -4.599 1.00 0.00 O ATOM 459 CB PRO A 13 -12.394 -1.566 -6.897 1.00 0.00 C ATOM 460 CG PRO A 13 -12.251 -0.468 -7.892 1.00 0.00 C ATOM 461 CD PRO A 13 -13.606 0.135 -8.091 1.00 0.00 C ATOM 0 HA PRO A 13 -14.282 -2.141 -5.941 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.526 -1.611 -6.239 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.468 -2.534 -7.393 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.545 0.283 -7.536 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -11.860 -0.852 -8.834 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -13.549 1.219 -8.189 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -14.080 -0.242 -8.997 1.00 0.00 H new ATOM 469 N ALA A 14 -13.787 -1.374 -3.719 1.00 0.00 N ATOM 470 CA ALA A 14 -13.554 -0.967 -2.384 1.00 0.00 C ATOM 471 C ALA A 14 -13.000 -2.117 -1.590 1.00 0.00 C ATOM 472 O ALA A 14 -13.492 -3.257 -1.676 1.00 0.00 O ATOM 473 CB ALA A 14 -14.828 -0.448 -1.760 1.00 0.00 C ATOM 0 H ALA A 14 -14.354 -2.217 -3.808 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.824 -0.158 -2.381 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -14.631 -0.139 -0.733 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -15.192 0.406 -2.332 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -15.582 -1.235 -1.764 1.00 0.00 H new ATOM 479 N VAL A 15 -11.966 -1.839 -0.864 1.00 0.00 N ATOM 480 CA VAL A 15 -11.336 -2.817 -0.022 1.00 0.00 C ATOM 481 C VAL A 15 -11.729 -2.532 1.402 1.00 0.00 C ATOM 482 O VAL A 15 -11.818 -1.368 1.801 1.00 0.00 O ATOM 483 CB VAL A 15 -9.775 -2.787 -0.156 1.00 0.00 C ATOM 484 CG1 VAL A 15 -9.107 -3.783 0.793 1.00 0.00 C ATOM 485 CG2 VAL A 15 -9.371 -3.111 -1.576 1.00 0.00 C ATOM 0 H VAL A 15 -11.527 -0.919 -0.835 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.666 -3.809 -0.328 1.00 0.00 H new ATOM 0 HB VAL A 15 -9.444 -1.783 0.109 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.025 -3.733 0.671 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.368 -3.536 1.822 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.452 -4.791 0.564 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.284 -3.088 -1.659 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.734 -4.104 -1.840 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.803 -2.375 -2.254 1.00 0.00 H new ATOM 495 N ARG A 16 -12.029 -3.570 2.127 1.00 0.00 N ATOM 496 CA ARG A 16 -12.324 -3.460 3.514 1.00 0.00 C ATOM 497 C ARG A 16 -11.027 -3.325 4.302 1.00 0.00 C ATOM 498 O ARG A 16 -10.186 -4.228 4.279 1.00 0.00 O ATOM 499 CB ARG A 16 -13.067 -4.685 3.974 1.00 0.00 C ATOM 500 CG ARG A 16 -14.434 -4.844 3.392 1.00 0.00 C ATOM 501 CD ARG A 16 -15.175 -5.941 4.103 1.00 0.00 C ATOM 502 NE ARG A 16 -14.561 -7.263 3.903 1.00 0.00 N ATOM 503 CZ ARG A 16 -14.026 -8.042 4.863 1.00 0.00 C ATOM 504 NH1 ARG A 16 -13.928 -7.604 6.116 1.00 0.00 N ATOM 505 NH2 ARG A 16 -13.564 -9.249 4.552 1.00 0.00 N ATOM 0 H ARG A 16 -12.074 -4.522 1.763 1.00 0.00 H new ATOM 0 HA ARG A 16 -12.944 -2.579 3.681 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -12.476 -5.566 3.724 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -13.151 -4.655 5.060 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -14.985 -3.908 3.478 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -14.360 -5.074 2.329 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -15.210 -5.719 5.170 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -16.206 -5.966 3.749 1.00 0.00 H new ATOM 0 HE ARG A 16 -14.538 -7.623 2.949 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -14.260 -6.670 6.357 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.521 -8.202 6.835 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.615 -9.582 3.589 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -13.158 -9.842 5.276 1.00 0.00 H new ATOM 519 N ILE A 17 -10.853 -2.208 4.953 1.00 0.00 N ATOM 520 CA ILE A 17 -9.668 -1.963 5.753 1.00 0.00 C ATOM 521 C ILE A 17 -9.959 -2.307 7.210 1.00 0.00 C ATOM 522 O ILE A 17 -11.087 -2.110 7.680 1.00 0.00 O ATOM 523 CB ILE A 17 -9.141 -0.458 5.618 1.00 0.00 C ATOM 524 CG1 ILE A 17 -8.390 -0.214 4.311 1.00 0.00 C ATOM 525 CG2 ILE A 17 -8.293 0.013 6.770 1.00 0.00 C ATOM 526 CD1 ILE A 17 -9.263 -0.071 3.129 1.00 0.00 C ATOM 0 H ILE A 17 -11.523 -1.439 4.949 1.00 0.00 H new ATOM 0 HA ILE A 17 -8.871 -2.605 5.378 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.057 0.133 5.626 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.787 0.688 4.415 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.700 -1.041 4.141 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -7.980 1.042 6.595 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.871 -0.038 7.692 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.413 -0.624 6.858 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.651 0.100 2.243 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.848 -0.981 2.996 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.936 0.774 3.274 1.00 0.00 H new ATOM 538 N PRO A 18 -9.001 -2.932 7.918 1.00 0.00 N ATOM 539 CA PRO A 18 -9.134 -3.141 9.345 1.00 0.00 C ATOM 540 C PRO A 18 -9.038 -1.795 10.089 1.00 0.00 C ATOM 541 O PRO A 18 -8.015 -1.073 10.002 1.00 0.00 O ATOM 542 CB PRO A 18 -7.943 -4.047 9.704 1.00 0.00 C ATOM 543 CG PRO A 18 -6.959 -3.852 8.596 1.00 0.00 C ATOM 544 CD PRO A 18 -7.763 -3.523 7.372 1.00 0.00 C ATOM 0 HA PRO A 18 -10.091 -3.583 9.622 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.513 -3.770 10.667 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.250 -5.090 9.780 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.263 -3.047 8.832 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.365 -4.753 8.441 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.237 -2.823 6.723 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.972 -4.413 6.778 1.00 0.00 H new ATOM 552 N ALA A 19 -10.076 -1.475 10.831 1.00 0.00 N ATOM 553 CA ALA A 19 -10.181 -0.219 11.554 1.00 0.00 C ATOM 554 C ALA A 19 -9.095 -0.101 12.617 1.00 0.00 C ATOM 555 O ALA A 19 -8.703 0.998 13.010 1.00 0.00 O ATOM 556 CB ALA A 19 -11.565 -0.058 12.150 1.00 0.00 C ATOM 0 H ALA A 19 -10.884 -2.086 10.953 1.00 0.00 H new ATOM 0 HA ALA A 19 -10.027 0.595 10.845 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.622 0.889 12.687 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -12.308 -0.068 11.353 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -11.762 -0.879 12.840 1.00 0.00 H new ATOM 562 N THR A 20 -8.607 -1.243 13.050 1.00 0.00 N ATOM 563 CA THR A 20 -7.527 -1.366 14.013 1.00 0.00 C ATOM 564 C THR A 20 -6.247 -0.586 13.561 1.00 0.00 C ATOM 565 O THR A 20 -5.474 -0.111 14.388 1.00 0.00 O ATOM 566 CB THR A 20 -7.212 -2.863 14.164 1.00 0.00 C ATOM 567 OG1 THR A 20 -8.447 -3.554 14.394 1.00 0.00 O ATOM 568 CG2 THR A 20 -6.271 -3.135 15.325 1.00 0.00 C ATOM 0 H THR A 20 -8.962 -2.145 12.732 1.00 0.00 H new ATOM 0 HA THR A 20 -7.837 -0.931 14.963 1.00 0.00 H new ATOM 0 HB THR A 20 -6.720 -3.207 13.254 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.272 -4.513 14.492 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.077 -4.205 15.393 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.332 -2.605 15.164 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.728 -2.790 16.252 1.00 0.00 H new ATOM 576 N LEU A 21 -6.059 -0.442 12.252 1.00 0.00 N ATOM 577 CA LEU A 21 -4.897 0.277 11.686 1.00 0.00 C ATOM 578 C LEU A 21 -5.139 1.747 11.660 1.00 0.00 C ATOM 579 O LEU A 21 -4.227 2.549 11.822 1.00 0.00 O ATOM 580 CB LEU A 21 -4.578 -0.234 10.297 1.00 0.00 C ATOM 581 CG LEU A 21 -3.729 -1.491 10.218 1.00 0.00 C ATOM 582 CD1 LEU A 21 -2.297 -1.186 10.633 1.00 0.00 C ATOM 583 CD2 LEU A 21 -4.283 -2.605 11.088 1.00 0.00 C ATOM 0 H LEU A 21 -6.697 -0.814 11.549 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.038 0.087 12.329 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.518 -0.423 9.779 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.067 0.558 9.751 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.749 -1.830 9.182 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.699 -2.095 10.572 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.878 -0.431 9.968 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.287 -0.813 11.657 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.646 -3.485 11.002 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.309 -2.276 12.127 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.292 -2.854 10.761 1.00 0.00 H new ATOM 595 N MET A 22 -6.368 2.091 11.462 1.00 0.00 N ATOM 596 CA MET A 22 -6.801 3.488 11.550 1.00 0.00 C ATOM 597 C MET A 22 -6.539 3.949 12.970 1.00 0.00 C ATOM 598 O MET A 22 -5.980 5.012 13.221 1.00 0.00 O ATOM 599 CB MET A 22 -8.294 3.610 11.287 1.00 0.00 C ATOM 600 CG MET A 22 -8.804 3.014 9.984 1.00 0.00 C ATOM 601 SD MET A 22 -10.584 3.204 9.850 1.00 0.00 S ATOM 602 CE MET A 22 -10.704 4.986 9.789 1.00 0.00 C ATOM 0 H MET A 22 -7.113 1.433 11.235 1.00 0.00 H new ATOM 0 HA MET A 22 -6.263 4.084 10.813 1.00 0.00 H new ATOM 0 HB2 MET A 22 -8.826 3.134 12.111 1.00 0.00 H new ATOM 0 HB3 MET A 22 -8.558 4.667 11.305 1.00 0.00 H new ATOM 0 HG2 MET A 22 -8.317 3.503 9.140 1.00 0.00 H new ATOM 0 HG3 MET A 22 -8.542 1.957 9.935 1.00 0.00 H new ATOM 0 HE1 MET A 22 -11.723 5.273 9.528 1.00 0.00 H new ATOM 0 HE2 MET A 22 -10.448 5.401 10.764 1.00 0.00 H new ATOM 0 HE3 MET A 22 -10.015 5.372 9.038 1.00 0.00 H new ATOM 612 N GLN A 23 -6.927 3.098 13.888 1.00 0.00 N ATOM 613 CA GLN A 23 -6.717 3.294 15.306 1.00 0.00 C ATOM 614 C GLN A 23 -5.256 3.194 15.687 1.00 0.00 C ATOM 615 O GLN A 23 -4.835 3.755 16.693 1.00 0.00 O ATOM 616 CB GLN A 23 -7.529 2.294 16.083 1.00 0.00 C ATOM 617 CG GLN A 23 -8.996 2.545 15.936 1.00 0.00 C ATOM 618 CD GLN A 23 -9.871 1.570 16.692 1.00 0.00 C ATOM 619 OE1 GLN A 23 -9.478 0.999 17.710 1.00 0.00 O ATOM 620 NE2 GLN A 23 -11.080 1.419 16.240 1.00 0.00 N ATOM 0 H GLN A 23 -7.410 2.227 13.667 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.044 4.304 15.553 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.295 1.287 15.738 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.255 2.341 17.137 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.216 3.556 16.280 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.256 2.504 14.878 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.373 1.907 15.394 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -11.736 0.812 16.732 1.00 0.00 H new ATOM 629 N ALA A 24 -4.492 2.489 14.880 1.00 0.00 N ATOM 630 CA ALA A 24 -3.053 2.353 15.112 1.00 0.00 C ATOM 631 C ALA A 24 -2.361 3.696 14.963 1.00 0.00 C ATOM 632 O ALA A 24 -1.429 4.011 15.701 1.00 0.00 O ATOM 633 CB ALA A 24 -2.427 1.320 14.184 1.00 0.00 C ATOM 0 H ALA A 24 -4.835 1.998 14.055 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.916 2.000 16.134 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.359 1.248 14.387 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.894 0.350 14.352 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.580 1.622 13.148 1.00 0.00 H new ATOM 639 N LEU A 25 -2.821 4.499 14.020 1.00 0.00 N ATOM 640 CA LEU A 25 -2.246 5.830 13.858 1.00 0.00 C ATOM 641 C LEU A 25 -3.028 6.815 14.699 1.00 0.00 C ATOM 642 O LEU A 25 -2.533 7.887 15.042 1.00 0.00 O ATOM 643 CB LEU A 25 -2.309 6.347 12.423 1.00 0.00 C ATOM 644 CG LEU A 25 -1.764 5.514 11.267 1.00 0.00 C ATOM 645 CD1 LEU A 25 -1.559 6.425 10.100 1.00 0.00 C ATOM 646 CD2 LEU A 25 -0.483 4.770 11.584 1.00 0.00 C ATOM 0 H LEU A 25 -3.571 4.266 13.369 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.201 5.745 14.158 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.356 6.553 12.203 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.785 7.303 12.404 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.496 4.736 11.049 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.169 5.854 9.257 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.510 6.879 9.822 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.848 7.207 10.369 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.165 4.204 10.709 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.294 5.484 11.856 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.655 4.087 12.415 1.00 0.00 H new ATOM 658 N ASN A 26 -4.244 6.420 15.029 1.00 0.00 N ATOM 659 CA ASN A 26 -5.230 7.246 15.727 1.00 0.00 C ATOM 660 C ASN A 26 -5.827 8.273 14.801 1.00 0.00 C ATOM 661 O ASN A 26 -5.463 9.445 14.829 1.00 0.00 O ATOM 662 CB ASN A 26 -4.740 7.893 17.050 1.00 0.00 C ATOM 663 CG ASN A 26 -4.544 6.899 18.170 1.00 0.00 C ATOM 664 OD1 ASN A 26 -5.473 6.610 18.927 1.00 0.00 O ATOM 665 ND2 ASN A 26 -3.352 6.383 18.307 1.00 0.00 N ATOM 0 H ASN A 26 -4.590 5.485 14.814 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.006 6.547 16.040 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.799 8.411 16.865 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.461 8.647 17.366 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.167 5.719 19.059 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.606 6.644 17.662 1.00 0.00 H new ATOM 672 N LEU A 27 -6.621 7.787 13.873 1.00 0.00 N ATOM 673 CA LEU A 27 -7.369 8.586 12.973 1.00 0.00 C ATOM 674 C LEU A 27 -8.790 8.033 12.898 1.00 0.00 C ATOM 675 O LEU A 27 -9.071 6.990 13.500 1.00 0.00 O ATOM 676 CB LEU A 27 -6.666 8.621 11.616 1.00 0.00 C ATOM 677 CG LEU A 27 -6.403 7.305 10.891 1.00 0.00 C ATOM 678 CD1 LEU A 27 -7.595 6.891 10.056 1.00 0.00 C ATOM 679 CD2 LEU A 27 -5.166 7.421 10.040 1.00 0.00 C ATOM 0 H LEU A 27 -6.757 6.786 13.733 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.434 9.618 13.318 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.260 9.250 10.953 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.706 9.119 11.754 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.241 6.529 11.639 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.377 5.950 9.552 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.465 6.764 10.701 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.804 7.661 9.313 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.987 6.476 9.527 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.304 8.213 9.304 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.310 7.658 10.672 1.00 0.00 H new ATOM 691 N ASN A 28 -9.671 8.696 12.186 1.00 0.00 N ATOM 692 CA ASN A 28 -11.080 8.280 12.076 1.00 0.00 C ATOM 693 C ASN A 28 -11.541 8.390 10.660 1.00 0.00 C ATOM 694 O ASN A 28 -10.866 8.998 9.855 1.00 0.00 O ATOM 695 CB ASN A 28 -12.010 9.142 12.957 1.00 0.00 C ATOM 696 CG ASN A 28 -12.132 8.724 14.422 1.00 0.00 C ATOM 697 OD1 ASN A 28 -13.157 8.960 15.045 1.00 0.00 O ATOM 698 ND2 ASN A 28 -11.151 8.063 14.964 1.00 0.00 N ATOM 0 H ASN A 28 -9.447 9.541 11.661 1.00 0.00 H new ATOM 0 HA ASN A 28 -11.131 7.246 12.419 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.655 10.172 12.923 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -13.006 9.133 12.514 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.229 7.732 15.925 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.304 7.876 14.427 1.00 0.00 H new ATOM 705 N ILE A 29 -12.720 7.802 10.387 1.00 0.00 N ATOM 706 CA ILE A 29 -13.378 7.829 9.066 1.00 0.00 C ATOM 707 C ILE A 29 -13.428 9.252 8.503 1.00 0.00 C ATOM 708 O ILE A 29 -13.500 10.238 9.278 1.00 0.00 O ATOM 709 CB ILE A 29 -14.852 7.236 9.159 1.00 0.00 C ATOM 710 CG1 ILE A 29 -14.841 5.713 9.368 1.00 0.00 C ATOM 711 CG2 ILE A 29 -15.745 7.602 7.964 1.00 0.00 C ATOM 712 CD1 ILE A 29 -14.191 4.931 8.250 1.00 0.00 C ATOM 0 H ILE A 29 -13.251 7.286 11.089 1.00 0.00 H new ATOM 0 HA ILE A 29 -12.787 7.209 8.392 1.00 0.00 H new ATOM 0 HB ILE A 29 -15.292 7.711 10.036 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -14.321 5.491 10.300 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -15.868 5.368 9.486 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -16.733 7.162 8.100 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -15.837 8.686 7.897 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -15.300 7.218 7.046 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.228 3.866 8.481 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -14.723 5.119 7.318 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -13.152 5.243 8.144 1.00 0.00 H new ATOM 724 N ASP A 30 -13.367 9.333 7.166 1.00 0.00 N ATOM 725 CA ASP A 30 -13.447 10.566 6.387 1.00 0.00 C ATOM 726 C ASP A 30 -12.065 11.177 6.240 1.00 0.00 C ATOM 727 O ASP A 30 -11.897 12.276 5.709 1.00 0.00 O ATOM 728 CB ASP A 30 -14.509 11.560 6.952 1.00 0.00 C ATOM 729 CG ASP A 30 -14.794 12.745 6.070 1.00 0.00 C ATOM 730 OD1 ASP A 30 -15.597 12.612 5.113 1.00 0.00 O ATOM 731 OD2 ASP A 30 -14.268 13.844 6.334 1.00 0.00 O ATOM 0 H ASP A 30 -13.256 8.506 6.580 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.803 10.321 5.386 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.440 11.018 7.121 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.169 11.920 7.923 1.00 0.00 H new ATOM 736 N ASP A 31 -11.053 10.398 6.622 1.00 0.00 N ATOM 737 CA ASP A 31 -9.678 10.803 6.522 1.00 0.00 C ATOM 738 C ASP A 31 -9.247 10.606 5.075 1.00 0.00 C ATOM 739 O ASP A 31 -10.085 10.255 4.216 1.00 0.00 O ATOM 740 CB ASP A 31 -8.797 9.986 7.493 1.00 0.00 C ATOM 741 CG ASP A 31 -8.701 8.521 7.123 1.00 0.00 C ATOM 742 OD1 ASP A 31 -9.714 7.799 7.292 1.00 0.00 O ATOM 743 OD2 ASP A 31 -7.614 8.085 6.679 1.00 0.00 O ATOM 0 H ASP A 31 -11.181 9.464 7.011 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.563 11.850 6.803 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.795 10.415 7.513 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.202 10.074 8.501 1.00 0.00 H new ATOM 748 N GLU A 32 -8.013 10.802 4.770 1.00 0.00 N ATOM 749 CA GLU A 32 -7.609 10.727 3.406 1.00 0.00 C ATOM 750 C GLU A 32 -6.411 9.868 3.279 1.00 0.00 C ATOM 751 O GLU A 32 -5.759 9.589 4.260 1.00 0.00 O ATOM 752 CB GLU A 32 -7.479 12.131 2.758 1.00 0.00 C ATOM 753 CG GLU A 32 -6.539 13.117 3.404 1.00 0.00 C ATOM 754 CD GLU A 32 -6.799 14.519 2.912 1.00 0.00 C ATOM 755 OE1 GLU A 32 -7.706 15.193 3.448 1.00 0.00 O ATOM 756 OE2 GLU A 32 -6.127 14.976 1.975 1.00 0.00 O ATOM 0 H GLU A 32 -7.270 11.014 5.437 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.392 10.243 2.823 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.163 11.995 1.724 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.471 12.581 2.732 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.657 13.081 4.487 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.508 12.837 3.186 1.00 0.00 H new ATOM 763 N VAL A 33 -6.149 9.360 2.108 1.00 0.00 N ATOM 764 CA VAL A 33 -5.001 8.506 1.962 1.00 0.00 C ATOM 765 C VAL A 33 -4.236 8.887 0.760 1.00 0.00 C ATOM 766 O VAL A 33 -4.807 9.345 -0.231 1.00 0.00 O ATOM 767 CB VAL A 33 -5.314 6.954 1.947 1.00 0.00 C ATOM 768 CG1 VAL A 33 -6.377 6.614 2.916 1.00 0.00 C ATOM 769 CG2 VAL A 33 -5.698 6.427 0.599 1.00 0.00 C ATOM 0 H VAL A 33 -6.696 9.515 1.261 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.407 8.665 2.862 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.377 6.474 2.230 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.570 5.542 2.883 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.058 6.894 3.920 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.288 7.155 2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.897 5.358 0.670 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.594 6.940 0.249 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.883 6.599 -0.104 1.00 0.00 H new ATOM 779 N LYS A 34 -2.962 8.755 0.869 1.00 0.00 N ATOM 780 CA LYS A 34 -2.072 9.003 -0.242 1.00 0.00 C ATOM 781 C LYS A 34 -1.797 7.701 -0.974 1.00 0.00 C ATOM 782 O LYS A 34 -1.075 6.841 -0.461 1.00 0.00 O ATOM 783 CB LYS A 34 -0.750 9.602 0.240 1.00 0.00 C ATOM 784 CG LYS A 34 -0.871 10.969 0.902 1.00 0.00 C ATOM 785 CD LYS A 34 0.479 11.470 1.427 1.00 0.00 C ATOM 786 CE LYS A 34 1.013 10.550 2.511 1.00 0.00 C ATOM 787 NZ LYS A 34 2.309 10.982 3.063 1.00 0.00 N ATOM 0 H LYS A 34 -2.492 8.471 1.729 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.552 9.714 -0.914 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.291 8.911 0.947 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.073 9.685 -0.611 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.270 11.686 0.185 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.583 10.912 1.726 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.195 11.526 0.607 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.368 12.479 1.823 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.284 10.492 3.319 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.118 9.544 2.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.664 10.260 3.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.991 11.109 2.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.188 11.883 3.569 1.00 0.00 H new ATOM 801 N ILE A 35 -2.408 7.536 -2.128 1.00 0.00 N ATOM 802 CA ILE A 35 -2.171 6.379 -2.954 1.00 0.00 C ATOM 803 C ILE A 35 -0.985 6.670 -3.840 1.00 0.00 C ATOM 804 O ILE A 35 -0.981 7.668 -4.589 1.00 0.00 O ATOM 805 CB ILE A 35 -3.379 5.969 -3.898 1.00 0.00 C ATOM 806 CG1 ILE A 35 -4.672 5.660 -3.140 1.00 0.00 C ATOM 807 CG2 ILE A 35 -3.013 4.780 -4.773 1.00 0.00 C ATOM 808 CD1 ILE A 35 -5.507 6.862 -2.835 1.00 0.00 C ATOM 0 H ILE A 35 -3.079 8.199 -2.516 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.014 5.547 -2.267 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.568 6.844 -4.519 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.265 4.959 -3.727 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.421 5.160 -2.205 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.860 4.522 -5.409 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.156 5.037 -5.396 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.760 3.928 -4.142 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.404 6.555 -2.297 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.935 7.556 -2.220 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.792 7.353 -3.766 1.00 0.00 H new ATOM 820 N ASP A 36 0.013 5.864 -3.725 1.00 0.00 N ATOM 821 CA ASP A 36 1.157 5.944 -4.610 1.00 0.00 C ATOM 822 C ASP A 36 1.447 4.538 -5.086 1.00 0.00 C ATOM 823 O ASP A 36 1.289 3.581 -4.317 1.00 0.00 O ATOM 824 CB ASP A 36 2.391 6.489 -3.895 1.00 0.00 C ATOM 825 CG ASP A 36 3.291 7.277 -4.820 1.00 0.00 C ATOM 826 OD1 ASP A 36 3.809 6.715 -5.793 1.00 0.00 O ATOM 827 OD2 ASP A 36 3.506 8.488 -4.562 1.00 0.00 O ATOM 0 H ASP A 36 0.074 5.128 -3.022 1.00 0.00 H new ATOM 0 HA ASP A 36 0.930 6.621 -5.434 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.077 7.126 -3.068 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.953 5.661 -3.464 1.00 0.00 H new ATOM 832 N LEU A 37 1.809 4.390 -6.322 1.00 0.00 N ATOM 833 CA LEU A 37 2.115 3.153 -6.860 1.00 0.00 C ATOM 834 C LEU A 37 3.608 3.024 -6.845 1.00 0.00 C ATOM 835 O LEU A 37 4.327 3.916 -7.287 1.00 0.00 O ATOM 836 CB LEU A 37 1.557 3.094 -8.285 1.00 0.00 C ATOM 837 CG LEU A 37 1.654 1.777 -9.072 1.00 0.00 C ATOM 838 CD1 LEU A 37 3.060 1.512 -9.575 1.00 0.00 C ATOM 839 CD2 LEU A 37 1.168 0.639 -8.228 1.00 0.00 C ATOM 0 H LEU A 37 1.894 5.163 -6.982 1.00 0.00 H new ATOM 0 HA LEU A 37 1.677 2.332 -6.293 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.504 3.371 -8.237 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.063 3.863 -8.868 1.00 0.00 H new ATOM 0 HG LEU A 37 1.016 1.869 -9.951 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.078 0.571 -10.125 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.370 2.323 -10.234 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.744 1.451 -8.728 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.240 -0.290 -8.793 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.780 0.565 -7.329 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.129 0.813 -7.946 1.00 0.00 H new ATOM 851 N VAL A 38 4.048 1.938 -6.352 1.00 0.00 N ATOM 852 CA VAL A 38 5.455 1.626 -6.258 1.00 0.00 C ATOM 853 C VAL A 38 5.650 0.163 -6.584 1.00 0.00 C ATOM 854 O VAL A 38 5.248 -0.698 -5.812 1.00 0.00 O ATOM 855 CB VAL A 38 6.063 1.909 -4.839 1.00 0.00 C ATOM 856 CG1 VAL A 38 7.526 1.478 -4.789 1.00 0.00 C ATOM 857 CG2 VAL A 38 5.953 3.387 -4.462 1.00 0.00 C ATOM 0 H VAL A 38 3.440 1.205 -5.986 1.00 0.00 H new ATOM 0 HA VAL A 38 5.974 2.274 -6.965 1.00 0.00 H new ATOM 0 HB VAL A 38 5.487 1.328 -4.119 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.932 1.682 -3.798 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.598 0.411 -4.999 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.095 2.033 -5.535 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.384 3.543 -3.473 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.492 3.990 -5.193 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.904 3.683 -4.451 1.00 0.00 H new ATOM 867 N ASP A 39 6.200 -0.095 -7.753 1.00 0.00 N ATOM 868 CA ASP A 39 6.553 -1.439 -8.227 1.00 0.00 C ATOM 869 C ASP A 39 5.416 -2.460 -8.065 1.00 0.00 C ATOM 870 O ASP A 39 5.486 -3.380 -7.267 1.00 0.00 O ATOM 871 CB ASP A 39 7.881 -1.918 -7.592 1.00 0.00 C ATOM 872 CG ASP A 39 8.271 -3.335 -7.960 1.00 0.00 C ATOM 873 OD1 ASP A 39 8.652 -3.592 -9.115 1.00 0.00 O ATOM 874 OD2 ASP A 39 8.240 -4.208 -7.072 1.00 0.00 O ATOM 0 H ASP A 39 6.424 0.638 -8.426 1.00 0.00 H new ATOM 0 HA ASP A 39 6.710 -1.364 -9.303 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.680 -1.243 -7.897 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.799 -1.846 -6.508 1.00 0.00 H new ATOM 879 N GLY A 40 4.324 -2.207 -8.743 1.00 0.00 N ATOM 880 CA GLY A 40 3.197 -3.131 -8.740 1.00 0.00 C ATOM 881 C GLY A 40 2.342 -3.121 -7.465 1.00 0.00 C ATOM 882 O GLY A 40 1.270 -3.710 -7.449 1.00 0.00 O ATOM 0 H GLY A 40 4.183 -1.369 -9.308 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.555 -2.898 -9.590 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.576 -4.141 -8.895 1.00 0.00 H new ATOM 886 N LYS A 41 2.803 -2.487 -6.397 1.00 0.00 N ATOM 887 CA LYS A 41 2.016 -2.438 -5.182 1.00 0.00 C ATOM 888 C LYS A 41 1.611 -1.030 -4.863 1.00 0.00 C ATOM 889 O LYS A 41 2.306 -0.067 -5.222 1.00 0.00 O ATOM 890 CB LYS A 41 2.666 -3.131 -3.937 1.00 0.00 C ATOM 891 CG LYS A 41 4.073 -2.683 -3.533 1.00 0.00 C ATOM 892 CD LYS A 41 5.167 -3.500 -4.217 1.00 0.00 C ATOM 893 CE LYS A 41 6.553 -2.985 -3.849 1.00 0.00 C ATOM 894 NZ LYS A 41 7.647 -3.804 -4.427 1.00 0.00 N ATOM 0 H LYS A 41 3.702 -2.008 -6.349 1.00 0.00 H new ATOM 0 HA LYS A 41 1.130 -3.034 -5.399 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.006 -2.977 -3.083 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.696 -4.204 -4.127 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.201 -1.630 -3.783 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.182 -2.770 -2.452 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.077 -4.547 -3.928 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.035 -3.456 -5.298 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.656 -1.956 -4.194 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.653 -2.969 -2.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.563 -3.458 -4.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.522 -4.798 -4.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.625 -3.731 -5.464 1.00 0.00 H new ATOM 908 N LEU A 42 0.490 -0.902 -4.228 1.00 0.00 N ATOM 909 CA LEU A 42 -0.023 0.368 -3.854 1.00 0.00 C ATOM 910 C LEU A 42 0.333 0.638 -2.445 1.00 0.00 C ATOM 911 O LEU A 42 0.102 -0.178 -1.548 1.00 0.00 O ATOM 912 CB LEU A 42 -1.537 0.438 -4.063 1.00 0.00 C ATOM 913 CG LEU A 42 -2.014 0.349 -5.509 1.00 0.00 C ATOM 914 CD1 LEU A 42 -3.467 -0.096 -5.556 1.00 0.00 C ATOM 915 CD2 LEU A 42 -1.888 1.694 -6.235 1.00 0.00 C ATOM 0 H LEU A 42 -0.099 -1.688 -3.953 1.00 0.00 H new ATOM 0 HA LEU A 42 0.422 1.133 -4.490 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.000 -0.370 -3.497 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.900 1.374 -3.638 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.378 -0.380 -6.012 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.796 -0.156 -6.593 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.563 -1.076 -5.088 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.086 0.624 -5.020 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.238 1.587 -7.262 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.492 2.443 -5.722 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.845 2.009 -6.238 1.00 0.00 H new ATOM 927 N ILE A 43 0.923 1.738 -2.261 1.00 0.00 N ATOM 928 CA ILE A 43 1.315 2.170 -0.970 1.00 0.00 C ATOM 929 C ILE A 43 0.190 2.983 -0.440 1.00 0.00 C ATOM 930 O ILE A 43 -0.126 4.053 -0.962 1.00 0.00 O ATOM 931 CB ILE A 43 2.589 3.016 -1.018 1.00 0.00 C ATOM 932 CG1 ILE A 43 3.690 2.292 -1.795 1.00 0.00 C ATOM 933 CG2 ILE A 43 3.056 3.414 0.378 1.00 0.00 C ATOM 934 CD1 ILE A 43 4.096 0.934 -1.242 1.00 0.00 C ATOM 0 H ILE A 43 1.159 2.388 -3.011 1.00 0.00 H new ATOM 0 HA ILE A 43 1.533 1.310 -0.336 1.00 0.00 H new ATOM 0 HB ILE A 43 2.356 3.940 -1.548 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.358 2.161 -2.825 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.572 2.932 -1.823 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.963 4.014 0.301 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.277 3.996 0.870 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.262 2.517 0.962 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.882 0.507 -1.866 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.465 1.052 -0.223 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.233 0.269 -1.240 1.00 0.00 H new ATOM 946 N ILE A 44 -0.445 2.452 0.523 1.00 0.00 N ATOM 947 CA ILE A 44 -1.596 3.063 1.099 1.00 0.00 C ATOM 948 C ILE A 44 -1.269 3.519 2.514 1.00 0.00 C ATOM 949 O ILE A 44 -1.154 2.722 3.442 1.00 0.00 O ATOM 950 CB ILE A 44 -2.812 2.072 1.066 1.00 0.00 C ATOM 951 CG1 ILE A 44 -3.158 1.663 -0.383 1.00 0.00 C ATOM 952 CG2 ILE A 44 -4.040 2.627 1.772 1.00 0.00 C ATOM 953 CD1 ILE A 44 -3.539 2.813 -1.293 1.00 0.00 C ATOM 0 H ILE A 44 -0.185 1.563 0.951 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.881 3.940 0.518 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.501 1.184 1.616 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.301 1.145 -0.814 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.982 0.950 -0.358 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.850 1.900 1.718 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.800 2.827 2.816 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.351 3.553 1.288 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.765 2.430 -2.288 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.417 3.319 -0.891 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.710 3.518 -1.355 1.00 0.00 H new ATOM 965 N GLU A 45 -1.082 4.796 2.652 1.00 0.00 N ATOM 966 CA GLU A 45 -0.741 5.402 3.918 1.00 0.00 C ATOM 967 C GLU A 45 -1.848 6.372 4.296 1.00 0.00 C ATOM 968 O GLU A 45 -1.976 7.444 3.666 1.00 0.00 O ATOM 969 CB GLU A 45 0.593 6.157 3.773 1.00 0.00 C ATOM 970 CG GLU A 45 1.136 6.765 5.060 1.00 0.00 C ATOM 971 CD GLU A 45 2.393 7.585 4.832 1.00 0.00 C ATOM 972 OE1 GLU A 45 3.505 7.016 4.767 1.00 0.00 O ATOM 973 OE2 GLU A 45 2.293 8.817 4.712 1.00 0.00 O ATOM 0 H GLU A 45 -1.161 5.462 1.883 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.636 4.642 4.692 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.339 5.471 3.371 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.464 6.953 3.040 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.371 7.397 5.510 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.350 5.968 5.772 1.00 0.00 H new ATOM 980 N PRO A 46 -2.751 5.968 5.215 1.00 0.00 N ATOM 981 CA PRO A 46 -3.768 6.850 5.772 1.00 0.00 C ATOM 982 C PRO A 46 -3.183 8.091 6.394 1.00 0.00 C ATOM 983 O PRO A 46 -2.104 8.082 7.020 1.00 0.00 O ATOM 984 CB PRO A 46 -4.443 6.015 6.836 1.00 0.00 C ATOM 985 CG PRO A 46 -3.484 4.940 7.086 1.00 0.00 C ATOM 986 CD PRO A 46 -2.941 4.617 5.739 1.00 0.00 C ATOM 0 HA PRO A 46 -4.445 7.204 4.995 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.639 6.596 7.737 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.402 5.626 6.493 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.696 5.260 7.767 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -3.966 4.074 7.540 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -2.009 4.054 5.789 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -3.636 4.030 5.138 1.00 0.00 H new ATOM 994 N VAL A 47 -3.884 9.117 6.207 1.00 0.00 N ATOM 995 CA VAL A 47 -3.513 10.425 6.642 1.00 0.00 C ATOM 996 C VAL A 47 -4.715 11.192 7.161 1.00 0.00 C ATOM 997 O VAL A 47 -5.676 11.467 6.430 1.00 0.00 O ATOM 998 CB VAL A 47 -2.653 11.195 5.565 1.00 0.00 C ATOM 999 CG1 VAL A 47 -3.234 11.194 4.194 1.00 0.00 C ATOM 1000 CG2 VAL A 47 -2.360 12.597 5.941 1.00 0.00 C ATOM 0 H VAL A 47 -4.782 9.092 5.724 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.842 10.323 7.495 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.728 10.619 5.546 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.578 11.745 3.520 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.335 10.167 3.843 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.215 11.669 4.214 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.766 13.067 5.157 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.295 13.143 6.065 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.803 12.614 6.878 1.00 0.00 H new ATOM 1351 N ILE B 2 -1.908 10.687 -4.496 1.00 0.00 N ATOM 1352 CA ILE B 2 -3.278 10.721 -4.932 1.00 0.00 C ATOM 1353 C ILE B 2 -4.115 10.601 -3.688 1.00 0.00 C ATOM 1354 O ILE B 2 -4.086 9.572 -3.036 1.00 0.00 O ATOM 1355 CB ILE B 2 -3.603 9.564 -5.921 1.00 0.00 C ATOM 1356 CG1 ILE B 2 -2.702 9.664 -7.168 1.00 0.00 C ATOM 1357 CG2 ILE B 2 -5.087 9.580 -6.311 1.00 0.00 C ATOM 1358 CD1 ILE B 2 -2.870 8.522 -8.154 1.00 0.00 C ATOM 0 HA ILE B 2 -3.483 11.645 -5.472 1.00 0.00 H new ATOM 0 HB ILE B 2 -3.401 8.615 -5.425 1.00 0.00 H new ATOM 0 HG12 ILE B 2 -2.912 10.604 -7.679 1.00 0.00 H new ATOM 0 HG13 ILE B 2 -1.661 9.701 -6.847 1.00 0.00 H new ATOM 0 HG21 ILE B 2 -5.290 8.762 -7.003 1.00 0.00 H new ATOM 0 HG22 ILE B 2 -5.699 9.460 -5.417 1.00 0.00 H new ATOM 0 HG23 ILE B 2 -5.327 10.529 -6.790 1.00 0.00 H new ATOM 0 HD11 ILE B 2 -2.200 8.671 -9.001 1.00 0.00 H new ATOM 0 HD12 ILE B 2 -2.630 7.579 -7.663 1.00 0.00 H new ATOM 0 HD13 ILE B 2 -3.901 8.495 -8.507 1.00 0.00 H new ATOM 1370 N HIS B 3 -4.784 11.659 -3.316 1.00 0.00 N ATOM 1371 CA HIS B 3 -5.551 11.661 -2.093 1.00 0.00 C ATOM 1372 C HIS B 3 -6.963 11.204 -2.325 1.00 0.00 C ATOM 1373 O HIS B 3 -7.708 11.807 -3.099 1.00 0.00 O ATOM 1374 CB HIS B 3 -5.549 13.038 -1.400 1.00 0.00 C ATOM 1375 CG HIS B 3 -4.249 13.438 -0.752 1.00 0.00 C ATOM 1376 ND1 HIS B 3 -4.169 14.020 0.489 1.00 0.00 N ATOM 1377 CD2 HIS B 3 -2.973 13.356 -1.196 1.00 0.00 C ATOM 1378 CE1 HIS B 3 -2.892 14.265 0.756 1.00 0.00 C ATOM 1379 NE2 HIS B 3 -2.117 13.881 -0.235 1.00 0.00 N ATOM 0 H HIS B 3 -4.815 12.533 -3.841 1.00 0.00 H new ATOM 0 HA HIS B 3 -5.059 10.952 -1.427 1.00 0.00 H new ATOM 0 HB2 HIS B 3 -5.816 13.796 -2.137 1.00 0.00 H new ATOM 0 HB3 HIS B 3 -6.330 13.044 -0.640 1.00 0.00 H new ATOM 0 HD1 HIS B 3 -4.957 14.229 1.102 1.00 0.00 H new ATOM 0 HD2 HIS B 3 -2.668 12.947 -2.148 1.00 0.00 H new ATOM 0 HE1 HIS B 3 -2.536 14.720 1.668 1.00 0.00 H new ATOM 1387 N SER B 4 -7.316 10.125 -1.693 1.00 0.00 N ATOM 1388 CA SER B 4 -8.664 9.644 -1.719 1.00 0.00 C ATOM 1389 C SER B 4 -9.248 9.914 -0.339 1.00 0.00 C ATOM 1390 O SER B 4 -8.849 10.868 0.314 1.00 0.00 O ATOM 1391 CB SER B 4 -8.680 8.147 -2.038 1.00 0.00 C ATOM 1392 OG SER B 4 -8.035 7.410 -1.039 1.00 0.00 O ATOM 0 H SER B 4 -6.675 9.552 -1.144 1.00 0.00 H new ATOM 0 HA SER B 4 -9.253 10.143 -2.489 1.00 0.00 H new ATOM 0 HB2 SER B 4 -9.710 7.805 -2.138 1.00 0.00 H new ATOM 0 HB3 SER B 4 -8.191 7.971 -2.996 1.00 0.00 H new ATOM 0 HG SER B 4 -8.703 7.017 -0.439 1.00 0.00 H new ATOM 1398 N SER B 5 -10.147 9.092 0.105 1.00 0.00 N ATOM 1399 CA SER B 5 -10.715 9.238 1.397 1.00 0.00 C ATOM 1400 C SER B 5 -11.243 7.903 1.851 1.00 0.00 C ATOM 1401 O SER B 5 -11.781 7.123 1.040 1.00 0.00 O ATOM 1402 CB SER B 5 -11.814 10.322 1.406 1.00 0.00 C ATOM 1403 OG SER B 5 -12.341 10.574 2.722 1.00 0.00 O ATOM 0 H SER B 5 -10.505 8.298 -0.426 1.00 0.00 H new ATOM 0 HA SER B 5 -9.948 9.571 2.096 1.00 0.00 H new ATOM 0 HB2 SER B 5 -11.407 11.248 0.999 1.00 0.00 H new ATOM 0 HB3 SER B 5 -12.626 10.014 0.747 1.00 0.00 H new ATOM 0 HG SER B 5 -11.638 10.428 3.389 1.00 0.00 H new ATOM 1409 N VAL B 6 -11.010 7.608 3.094 1.00 0.00 N ATOM 1410 CA VAL B 6 -11.532 6.415 3.718 1.00 0.00 C ATOM 1411 C VAL B 6 -12.955 6.682 4.090 1.00 0.00 C ATOM 1412 O VAL B 6 -13.241 7.562 4.923 1.00 0.00 O ATOM 1413 CB VAL B 6 -10.753 6.041 4.995 1.00 0.00 C ATOM 1414 CG1 VAL B 6 -11.345 4.814 5.663 1.00 0.00 C ATOM 1415 CG2 VAL B 6 -9.316 5.798 4.675 1.00 0.00 C ATOM 0 H VAL B 6 -10.448 8.190 3.715 1.00 0.00 H new ATOM 0 HA VAL B 6 -11.439 5.586 3.017 1.00 0.00 H new ATOM 0 HB VAL B 6 -10.831 6.879 5.688 1.00 0.00 H new ATOM 0 HG11 VAL B 6 -10.773 4.577 6.560 1.00 0.00 H new ATOM 0 HG12 VAL B 6 -12.382 5.012 5.935 1.00 0.00 H new ATOM 0 HG13 VAL B 6 -11.306 3.970 4.974 1.00 0.00 H new ATOM 0 HG21 VAL B 6 -8.780 5.535 5.587 1.00 0.00 H new ATOM 0 HG22 VAL B 6 -9.236 4.981 3.958 1.00 0.00 H new ATOM 0 HG23 VAL B 6 -8.881 6.701 4.246 1.00 0.00 H new ATOM 1425 N LYS B 7 -13.857 5.988 3.480 1.00 0.00 N ATOM 1426 CA LYS B 7 -15.219 6.226 3.775 1.00 0.00 C ATOM 1427 C LYS B 7 -15.748 5.013 4.522 1.00 0.00 C ATOM 1428 O LYS B 7 -15.067 3.996 4.607 1.00 0.00 O ATOM 1429 CB LYS B 7 -16.027 6.475 2.497 1.00 0.00 C ATOM 1430 CG LYS B 7 -15.437 7.445 1.446 1.00 0.00 C ATOM 1431 CD LYS B 7 -14.866 8.747 1.991 1.00 0.00 C ATOM 1432 CE LYS B 7 -15.809 9.555 2.836 1.00 0.00 C ATOM 1433 NZ LYS B 7 -15.236 10.896 3.084 1.00 0.00 N ATOM 0 H LYS B 7 -13.675 5.264 2.786 1.00 0.00 H new ATOM 0 HA LYS B 7 -15.317 7.121 4.389 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -16.189 5.513 2.011 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -17.007 6.853 2.789 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -14.649 6.925 0.901 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -16.217 7.687 0.724 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -13.980 8.517 2.583 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -14.539 9.361 1.152 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -16.772 9.648 2.335 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -15.990 9.046 3.783 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -15.411 11.171 4.071 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -14.211 10.874 2.908 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -15.682 11.587 2.448 1.00 0.00 H new ATOM 1447 N ARG B 8 -16.917 5.103 5.065 1.00 0.00 N ATOM 1448 CA ARG B 8 -17.471 3.994 5.786 1.00 0.00 C ATOM 1449 C ARG B 8 -18.509 3.255 4.942 1.00 0.00 C ATOM 1450 O ARG B 8 -19.513 3.828 4.523 1.00 0.00 O ATOM 1451 CB ARG B 8 -18.065 4.441 7.117 1.00 0.00 C ATOM 1452 CG ARG B 8 -18.666 3.303 7.911 1.00 0.00 C ATOM 1453 CD ARG B 8 -19.138 3.759 9.264 1.00 0.00 C ATOM 1454 NE ARG B 8 -18.023 4.025 10.174 1.00 0.00 N ATOM 1455 CZ ARG B 8 -18.058 4.886 11.195 1.00 0.00 C ATOM 1456 NH1 ARG B 8 -19.168 5.584 11.452 1.00 0.00 N ATOM 1457 NH2 ARG B 8 -16.986 5.027 11.972 1.00 0.00 N ATOM 0 H ARG B 8 -17.511 5.931 5.026 1.00 0.00 H new ATOM 0 HA ARG B 8 -16.659 3.300 6.003 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -17.288 4.920 7.712 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -18.833 5.192 6.931 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -19.503 2.875 7.358 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -17.926 2.512 8.031 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -19.738 4.662 9.153 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -19.786 2.997 9.698 1.00 0.00 H new ATOM 0 HE ARG B 8 -17.154 3.515 10.017 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -19.995 5.461 10.867 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -19.189 6.240 12.233 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -16.146 4.480 11.786 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -17.005 5.682 12.753 1.00 0.00 H new ATOM 1471 N TRP B 9 -18.240 2.010 4.684 1.00 0.00 N ATOM 1472 CA TRP B 9 -19.119 1.133 3.940 1.00 0.00 C ATOM 1473 C TRP B 9 -19.681 0.130 4.934 1.00 0.00 C ATOM 1474 O TRP B 9 -18.998 -0.824 5.335 1.00 0.00 O ATOM 1475 CB TRP B 9 -18.308 0.447 2.822 1.00 0.00 C ATOM 1476 CG TRP B 9 -19.048 -0.464 1.895 1.00 0.00 C ATOM 1477 CD1 TRP B 9 -20.372 -0.456 1.628 1.00 0.00 C ATOM 1478 CD2 TRP B 9 -18.486 -1.519 1.066 1.00 0.00 C ATOM 1479 NE1 TRP B 9 -20.660 -1.386 0.684 1.00 0.00 N ATOM 1480 CE2 TRP B 9 -19.556 -2.064 0.350 1.00 0.00 C ATOM 1481 CE3 TRP B 9 -17.194 -2.063 0.848 1.00 0.00 C ATOM 1482 CZ2 TRP B 9 -19.414 -3.092 -0.542 1.00 0.00 C ATOM 1483 CZ3 TRP B 9 -17.066 -3.092 -0.041 1.00 0.00 C ATOM 1484 CH2 TRP B 9 -18.189 -3.597 -0.726 1.00 0.00 C ATOM 0 H TRP B 9 -17.380 1.555 4.991 1.00 0.00 H new ATOM 0 HA TRP B 9 -19.940 1.669 3.464 1.00 0.00 H new ATOM 0 HB2 TRP B 9 -17.835 1.225 2.223 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -17.507 -0.126 3.290 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -21.095 0.195 2.097 1.00 0.00 H new ATOM 0 HE1 TRP B 9 -21.585 -1.546 0.286 1.00 0.00 H new ATOM 0 HE3 TRP B 9 -16.334 -1.673 1.372 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -20.264 -3.483 -1.081 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -16.093 -3.524 -0.221 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -18.057 -4.415 -1.419 1.00 0.00 H new ATOM 1495 N GLY B 10 -20.875 0.402 5.406 1.00 0.00 N ATOM 1496 CA GLY B 10 -21.466 -0.408 6.431 1.00 0.00 C ATOM 1497 C GLY B 10 -20.823 -0.054 7.734 1.00 0.00 C ATOM 1498 O GLY B 10 -20.891 1.092 8.169 1.00 0.00 O ATOM 0 H GLY B 10 -21.453 1.181 5.092 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -22.541 -0.236 6.479 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -21.321 -1.466 6.211 1.00 0.00 H new ATOM 1502 N ASN B 11 -20.202 -0.997 8.354 1.00 0.00 N ATOM 1503 CA ASN B 11 -19.414 -0.712 9.538 1.00 0.00 C ATOM 1504 C ASN B 11 -17.929 -0.899 9.261 1.00 0.00 C ATOM 1505 O ASN B 11 -17.143 -1.081 10.187 1.00 0.00 O ATOM 1506 CB ASN B 11 -19.853 -1.599 10.706 1.00 0.00 C ATOM 1507 CG ASN B 11 -21.219 -1.232 11.247 1.00 0.00 C ATOM 1508 OD1 ASN B 11 -21.615 -0.064 11.244 1.00 0.00 O ATOM 1509 ND2 ASN B 11 -21.958 -2.208 11.677 1.00 0.00 N ATOM 0 H ASN B 11 -20.215 -1.978 8.073 1.00 0.00 H new ATOM 0 HA ASN B 11 -19.583 0.330 9.811 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -19.865 -2.639 10.381 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -19.119 -1.524 11.508 1.00 0.00 H new ATOM 0 HD21 ASN B 11 -22.898 -2.020 12.027 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -21.599 -3.163 11.665 1.00 0.00 H new ATOM 1516 N SER B 12 -17.510 -0.768 8.006 1.00 0.00 N ATOM 1517 CA SER B 12 -16.163 -1.024 7.668 1.00 0.00 C ATOM 1518 C SER B 12 -15.600 0.143 6.879 1.00 0.00 C ATOM 1519 O SER B 12 -16.279 0.683 6.007 1.00 0.00 O ATOM 1520 CB SER B 12 -16.110 -2.258 6.807 1.00 0.00 C ATOM 1521 OG SER B 12 -16.858 -3.316 7.387 1.00 0.00 O ATOM 0 H SER B 12 -18.103 -0.485 7.226 1.00 0.00 H new ATOM 0 HA SER B 12 -15.579 -1.164 8.578 1.00 0.00 H new ATOM 0 HB2 SER B 12 -16.503 -2.031 5.816 1.00 0.00 H new ATOM 0 HB3 SER B 12 -15.074 -2.570 6.676 1.00 0.00 H new ATOM 0 HG SER B 12 -16.810 -4.106 6.809 1.00 0.00 H new ATOM 1527 N PRO B 13 -14.406 0.579 7.219 1.00 0.00 N ATOM 1528 CA PRO B 13 -13.695 1.583 6.456 1.00 0.00 C ATOM 1529 C PRO B 13 -13.326 1.027 5.085 1.00 0.00 C ATOM 1530 O PRO B 13 -12.660 -0.018 4.976 1.00 0.00 O ATOM 1531 CB PRO B 13 -12.431 1.855 7.272 1.00 0.00 C ATOM 1532 CG PRO B 13 -12.303 0.716 8.219 1.00 0.00 C ATOM 1533 CD PRO B 13 -13.670 0.142 8.402 1.00 0.00 C ATOM 0 HA PRO B 13 -14.286 2.484 6.291 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -11.556 1.925 6.625 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -12.508 2.801 7.808 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -11.619 -0.036 7.827 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -11.895 1.052 9.172 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -13.639 -0.945 8.472 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -14.135 0.507 9.317 1.00 0.00 H new ATOM 1541 N ALA B 14 -13.786 1.673 4.062 1.00 0.00 N ATOM 1542 CA ALA B 14 -13.538 1.241 2.741 1.00 0.00 C ATOM 1543 C ALA B 14 -12.952 2.368 1.940 1.00 0.00 C ATOM 1544 O ALA B 14 -13.432 3.513 1.991 1.00 0.00 O ATOM 1545 CB ALA B 14 -14.814 0.734 2.104 1.00 0.00 C ATOM 0 H ALA B 14 -14.348 2.521 4.130 1.00 0.00 H new ATOM 0 HA ALA B 14 -12.822 0.419 2.762 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -14.606 0.405 1.086 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -15.203 -0.103 2.684 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -15.553 1.535 2.083 1.00 0.00 H new ATOM 1551 N VAL B 15 -11.905 2.069 1.248 1.00 0.00 N ATOM 1552 CA VAL B 15 -11.256 3.030 0.404 1.00 0.00 C ATOM 1553 C VAL B 15 -11.642 2.753 -1.028 1.00 0.00 C ATOM 1554 O VAL B 15 -11.756 1.595 -1.427 1.00 0.00 O ATOM 1555 CB VAL B 15 -9.698 2.999 0.568 1.00 0.00 C ATOM 1556 CG1 VAL B 15 -9.005 3.945 -0.413 1.00 0.00 C ATOM 1557 CG2 VAL B 15 -9.315 3.379 1.977 1.00 0.00 C ATOM 0 H VAL B 15 -11.468 1.147 1.248 1.00 0.00 H new ATOM 0 HA VAL B 15 -11.583 4.028 0.696 1.00 0.00 H new ATOM 0 HB VAL B 15 -9.370 1.982 0.354 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -7.926 3.894 -0.267 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -9.247 3.651 -1.434 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -9.347 4.965 -0.238 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -8.230 3.354 2.078 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -9.676 4.384 2.194 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -9.761 2.674 2.678 1.00 0.00 H new ATOM 1567 N ARG B 16 -11.915 3.801 -1.760 1.00 0.00 N ATOM 1568 CA ARG B 16 -12.212 3.698 -3.154 1.00 0.00 C ATOM 1569 C ARG B 16 -10.917 3.543 -3.947 1.00 0.00 C ATOM 1570 O ARG B 16 -10.087 4.462 -3.982 1.00 0.00 O ATOM 1571 CB ARG B 16 -12.938 4.941 -3.612 1.00 0.00 C ATOM 1572 CG ARG B 16 -14.300 5.115 -3.017 1.00 0.00 C ATOM 1573 CD ARG B 16 -15.014 6.260 -3.672 1.00 0.00 C ATOM 1574 NE ARG B 16 -14.312 7.555 -3.526 1.00 0.00 N ATOM 1575 CZ ARG B 16 -13.871 8.316 -4.553 1.00 0.00 C ATOM 1576 NH1 ARG B 16 -13.991 7.893 -5.801 1.00 0.00 N ATOM 1577 NH2 ARG B 16 -13.312 9.495 -4.323 1.00 0.00 N ATOM 0 H ARG B 16 -11.936 4.754 -1.398 1.00 0.00 H new ATOM 0 HA ARG B 16 -12.844 2.826 -3.322 1.00 0.00 H new ATOM 0 HB2 ARG B 16 -12.332 5.813 -3.364 1.00 0.00 H new ATOM 0 HB3 ARG B 16 -13.030 4.914 -4.698 1.00 0.00 H new ATOM 0 HG2 ARG B 16 -14.878 4.199 -3.141 1.00 0.00 H new ATOM 0 HG3 ARG B 16 -14.215 5.296 -1.945 1.00 0.00 H new ATOM 0 HD2 ARG B 16 -15.139 6.041 -4.732 1.00 0.00 H new ATOM 0 HD3 ARG B 16 -16.013 6.347 -3.245 1.00 0.00 H new ATOM 0 HE ARG B 16 -14.149 7.899 -2.580 1.00 0.00 H new ATOM 0 HH11 ARG B 16 -14.419 6.987 -5.994 1.00 0.00 H new ATOM 0 HH12 ARG B 16 -13.656 8.473 -6.570 1.00 0.00 H new ATOM 0 HH21 ARG B 16 -13.212 9.834 -3.366 1.00 0.00 H new ATOM 0 HH22 ARG B 16 -12.982 10.064 -5.103 1.00 0.00 H new ATOM 1591 N ILE B 17 -10.731 2.402 -4.549 1.00 0.00 N ATOM 1592 CA ILE B 17 -9.542 2.127 -5.343 1.00 0.00 C ATOM 1593 C ILE B 17 -9.821 2.457 -6.808 1.00 0.00 C ATOM 1594 O ILE B 17 -10.924 2.220 -7.292 1.00 0.00 O ATOM 1595 CB ILE B 17 -9.056 0.611 -5.204 1.00 0.00 C ATOM 1596 CG1 ILE B 17 -8.336 0.327 -3.889 1.00 0.00 C ATOM 1597 CG2 ILE B 17 -8.199 0.133 -6.344 1.00 0.00 C ATOM 1598 CD1 ILE B 17 -9.223 0.268 -2.714 1.00 0.00 C ATOM 0 H ILE B 17 -11.394 1.628 -4.510 1.00 0.00 H new ATOM 0 HA ILE B 17 -8.737 2.757 -4.964 1.00 0.00 H new ATOM 0 HB ILE B 17 -9.989 0.048 -5.225 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -7.804 -0.620 -3.976 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -7.585 1.100 -3.725 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -7.912 -0.904 -6.173 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -8.760 0.205 -7.276 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -7.304 0.751 -6.410 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -8.632 0.062 -1.822 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -9.736 1.223 -2.597 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -9.958 -0.525 -2.853 1.00 0.00 H new ATOM 1610 N PRO B 18 -8.873 3.098 -7.504 1.00 0.00 N ATOM 1611 CA PRO B 18 -8.995 3.305 -8.936 1.00 0.00 C ATOM 1612 C PRO B 18 -8.901 1.957 -9.675 1.00 0.00 C ATOM 1613 O PRO B 18 -7.883 1.232 -9.578 1.00 0.00 O ATOM 1614 CB PRO B 18 -7.795 4.199 -9.285 1.00 0.00 C ATOM 1615 CG PRO B 18 -6.830 4.015 -8.160 1.00 0.00 C ATOM 1616 CD PRO B 18 -7.654 3.713 -6.947 1.00 0.00 C ATOM 0 HA PRO B 18 -9.946 3.753 -9.223 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -7.351 3.908 -10.237 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -8.096 5.242 -9.379 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -6.136 3.201 -8.372 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -6.231 4.913 -8.010 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -7.136 3.035 -6.269 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -7.882 4.617 -6.382 1.00 0.00 H new ATOM 1624 N ALA B 19 -9.936 1.634 -10.434 1.00 0.00 N ATOM 1625 CA ALA B 19 -10.029 0.356 -11.139 1.00 0.00 C ATOM 1626 C ALA B 19 -8.936 0.217 -12.186 1.00 0.00 C ATOM 1627 O ALA B 19 -8.541 -0.881 -12.554 1.00 0.00 O ATOM 1628 CB ALA B 19 -11.411 0.164 -11.738 1.00 0.00 C ATOM 0 H ALA B 19 -10.738 2.247 -10.582 1.00 0.00 H new ATOM 0 HA ALA B 19 -9.874 -0.439 -10.410 1.00 0.00 H new ATOM 0 HB1 ALA B 19 -11.453 -0.794 -12.256 1.00 0.00 H new ATOM 0 HB2 ALA B 19 -12.157 0.180 -10.944 1.00 0.00 H new ATOM 0 HB3 ALA B 19 -11.616 0.968 -12.445 1.00 0.00 H new ATOM 1634 N THR B 20 -8.447 1.349 -12.628 1.00 0.00 N ATOM 1635 CA THR B 20 -7.365 1.467 -13.579 1.00 0.00 C ATOM 1636 C THR B 20 -6.084 0.678 -13.113 1.00 0.00 C ATOM 1637 O THR B 20 -5.307 0.204 -13.933 1.00 0.00 O ATOM 1638 CB THR B 20 -7.056 2.965 -13.723 1.00 0.00 C ATOM 1639 OG1 THR B 20 -8.303 3.669 -13.916 1.00 0.00 O ATOM 1640 CG2 THR B 20 -6.147 3.234 -14.905 1.00 0.00 C ATOM 0 H THR B 20 -8.806 2.253 -12.323 1.00 0.00 H new ATOM 0 HA THR B 20 -7.660 1.031 -14.534 1.00 0.00 H new ATOM 0 HB THR B 20 -6.546 3.306 -12.822 1.00 0.00 H new ATOM 0 HG1 THR B 20 -8.126 4.628 -14.008 1.00 0.00 H new ATOM 0 HG21 THR B 20 -5.950 4.304 -14.976 1.00 0.00 H new ATOM 0 HG22 THR B 20 -5.207 2.700 -14.770 1.00 0.00 H new ATOM 0 HG23 THR B 20 -6.630 2.892 -15.821 1.00 0.00 H new ATOM 1648 N LEU B 21 -5.915 0.522 -11.796 1.00 0.00 N ATOM 1649 CA LEU B 21 -4.767 -0.205 -11.211 1.00 0.00 C ATOM 1650 C LEU B 21 -5.026 -1.673 -11.165 1.00 0.00 C ATOM 1651 O LEU B 21 -4.121 -2.488 -11.311 1.00 0.00 O ATOM 1652 CB LEU B 21 -4.456 0.320 -9.823 1.00 0.00 C ATOM 1653 CG LEU B 21 -3.613 1.583 -9.746 1.00 0.00 C ATOM 1654 CD1 LEU B 21 -2.182 1.287 -10.162 1.00 0.00 C ATOM 1655 CD2 LEU B 21 -4.175 2.704 -10.608 1.00 0.00 C ATOM 0 H LEU B 21 -6.564 0.892 -11.101 1.00 0.00 H new ATOM 0 HA LEU B 21 -3.902 -0.035 -11.851 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -5.399 0.508 -9.311 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -3.944 -0.466 -9.268 1.00 0.00 H new ATOM 0 HG LEU B 21 -3.634 1.919 -8.709 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -1.589 2.200 -10.102 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -1.758 0.535 -9.497 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -2.171 0.913 -11.186 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -3.539 3.585 -10.520 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -4.207 2.382 -11.649 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -5.183 2.950 -10.274 1.00 0.00 H new ATOM 1667 N MET B 22 -6.260 -2.003 -10.969 1.00 0.00 N ATOM 1668 CA MET B 22 -6.716 -3.396 -11.048 1.00 0.00 C ATOM 1669 C MET B 22 -6.448 -3.871 -12.461 1.00 0.00 C ATOM 1670 O MET B 22 -5.927 -4.954 -12.701 1.00 0.00 O ATOM 1671 CB MET B 22 -8.213 -3.486 -10.792 1.00 0.00 C ATOM 1672 CG MET B 22 -8.702 -2.895 -9.480 1.00 0.00 C ATOM 1673 SD MET B 22 -10.483 -3.013 -9.340 1.00 0.00 S ATOM 1674 CE MET B 22 -10.687 -4.789 -9.364 1.00 0.00 C ATOM 0 H MET B 22 -6.997 -1.333 -10.749 1.00 0.00 H new ATOM 0 HA MET B 22 -6.196 -3.999 -10.304 1.00 0.00 H new ATOM 0 HB2 MET B 22 -8.732 -2.985 -11.609 1.00 0.00 H new ATOM 0 HB3 MET B 22 -8.505 -4.536 -10.826 1.00 0.00 H new ATOM 0 HG2 MET B 22 -8.234 -3.418 -8.646 1.00 0.00 H new ATOM 0 HG3 MET B 22 -8.398 -1.850 -9.413 1.00 0.00 H new ATOM 0 HE1 MET B 22 -11.735 -5.037 -9.196 1.00 0.00 H new ATOM 0 HE2 MET B 22 -10.373 -5.178 -10.332 1.00 0.00 H new ATOM 0 HE3 MET B 22 -10.078 -5.236 -8.578 1.00 0.00 H new ATOM 1684 N GLN B 23 -6.791 -3.011 -13.379 1.00 0.00 N ATOM 1685 CA GLN B 23 -6.561 -3.207 -14.793 1.00 0.00 C ATOM 1686 C GLN B 23 -5.093 -3.149 -15.140 1.00 0.00 C ATOM 1687 O GLN B 23 -4.662 -3.752 -16.108 1.00 0.00 O ATOM 1688 CB GLN B 23 -7.321 -2.168 -15.564 1.00 0.00 C ATOM 1689 CG GLN B 23 -8.790 -2.389 -15.479 1.00 0.00 C ATOM 1690 CD GLN B 23 -9.591 -1.332 -16.183 1.00 0.00 C ATOM 1691 OE1 GLN B 23 -9.126 -0.705 -17.140 1.00 0.00 O ATOM 1692 NE2 GLN B 23 -10.814 -1.182 -15.784 1.00 0.00 N ATOM 0 H GLN B 23 -7.252 -2.127 -13.163 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.914 -4.203 -15.062 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -7.078 -1.178 -15.178 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -7.009 -2.188 -16.608 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -9.029 -3.362 -15.907 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -9.086 -2.421 -14.430 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -11.161 -1.719 -14.989 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -11.431 -0.527 -16.265 1.00 0.00 H new ATOM 1701 N ALA B 24 -4.336 -2.439 -14.335 1.00 0.00 N ATOM 1702 CA ALA B 24 -2.894 -2.317 -14.542 1.00 0.00 C ATOM 1703 C ALA B 24 -2.191 -3.652 -14.337 1.00 0.00 C ATOM 1704 O ALA B 24 -1.155 -3.913 -14.953 1.00 0.00 O ATOM 1705 CB ALA B 24 -2.285 -1.244 -13.650 1.00 0.00 C ATOM 0 H ALA B 24 -4.689 -1.931 -13.524 1.00 0.00 H new ATOM 0 HA ALA B 24 -2.744 -2.010 -15.577 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -1.212 -1.184 -13.834 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -2.746 -0.281 -13.872 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -2.461 -1.497 -12.604 1.00 0.00 H new ATOM 1711 N LEU B 25 -2.728 -4.490 -13.455 1.00 0.00 N ATOM 1712 CA LEU B 25 -2.171 -5.830 -13.289 1.00 0.00 C ATOM 1713 C LEU B 25 -2.973 -6.815 -14.123 1.00 0.00 C ATOM 1714 O LEU B 25 -2.535 -7.932 -14.368 1.00 0.00 O ATOM 1715 CB LEU B 25 -2.228 -6.354 -11.848 1.00 0.00 C ATOM 1716 CG LEU B 25 -1.642 -5.547 -10.683 1.00 0.00 C ATOM 1717 CD1 LEU B 25 -1.381 -6.490 -9.539 1.00 0.00 C ATOM 1718 CD2 LEU B 25 -0.386 -4.766 -11.032 1.00 0.00 C ATOM 0 H LEU B 25 -3.527 -4.274 -12.858 1.00 0.00 H new ATOM 0 HA LEU B 25 -1.128 -5.750 -13.594 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -3.278 -6.531 -11.616 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -1.732 -7.325 -11.843 1.00 0.00 H new ATOM 0 HG LEU B 25 -2.376 -4.788 -10.411 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.963 -5.936 -8.699 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -2.316 -6.960 -9.235 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.674 -7.258 -9.854 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -0.038 -4.224 -10.152 1.00 0.00 H new ATOM 0 HD22 LEU B 25 0.390 -5.455 -11.364 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -0.608 -4.058 -11.830 1.00 0.00 H new ATOM 1730 N ASN B 26 -4.145 -6.371 -14.540 1.00 0.00 N ATOM 1731 CA ASN B 26 -5.135 -7.186 -15.243 1.00 0.00 C ATOM 1732 C ASN B 26 -5.788 -8.199 -14.332 1.00 0.00 C ATOM 1733 O ASN B 26 -5.480 -9.397 -14.367 1.00 0.00 O ATOM 1734 CB ASN B 26 -4.633 -7.828 -16.556 1.00 0.00 C ATOM 1735 CG ASN B 26 -4.590 -6.857 -17.705 1.00 0.00 C ATOM 1736 OD1 ASN B 26 -5.571 -6.711 -18.427 1.00 0.00 O ATOM 1737 ND2 ASN B 26 -3.478 -6.201 -17.900 1.00 0.00 N ATOM 0 H ASN B 26 -4.448 -5.408 -14.398 1.00 0.00 H new ATOM 0 HA ASN B 26 -5.900 -6.476 -15.557 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -3.636 -8.238 -16.396 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -5.283 -8.663 -16.817 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -3.404 -5.541 -18.674 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -2.683 -6.349 -17.278 1.00 0.00 H new ATOM 1744 N LEU B 27 -6.578 -7.685 -13.416 1.00 0.00 N ATOM 1745 CA LEU B 27 -7.371 -8.453 -12.540 1.00 0.00 C ATOM 1746 C LEU B 27 -8.778 -7.839 -12.478 1.00 0.00 C ATOM 1747 O LEU B 27 -9.012 -6.762 -13.053 1.00 0.00 O ATOM 1748 CB LEU B 27 -6.683 -8.528 -11.180 1.00 0.00 C ATOM 1749 CG LEU B 27 -6.389 -7.230 -10.437 1.00 0.00 C ATOM 1750 CD1 LEU B 27 -7.580 -6.796 -9.603 1.00 0.00 C ATOM 1751 CD2 LEU B 27 -5.160 -7.389 -9.578 1.00 0.00 C ATOM 0 H LEU B 27 -6.675 -6.680 -13.272 1.00 0.00 H new ATOM 0 HA LEU B 27 -7.483 -9.478 -12.895 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -7.301 -9.148 -10.531 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -5.737 -9.053 -11.316 1.00 0.00 H new ATOM 0 HG LEU B 27 -6.199 -6.449 -11.173 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -7.342 -5.867 -9.084 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -8.441 -6.638 -10.253 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -7.814 -7.570 -8.872 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -4.960 -6.455 -9.052 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -5.324 -8.186 -8.853 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -4.306 -7.641 -10.207 1.00 0.00 H new ATOM 1763 N ASN B 28 -9.696 -8.478 -11.786 1.00 0.00 N ATOM 1764 CA ASN B 28 -11.090 -8.006 -11.697 1.00 0.00 C ATOM 1765 C ASN B 28 -11.581 -8.119 -10.287 1.00 0.00 C ATOM 1766 O ASN B 28 -10.914 -8.733 -9.469 1.00 0.00 O ATOM 1767 CB ASN B 28 -12.042 -8.814 -12.600 1.00 0.00 C ATOM 1768 CG ASN B 28 -12.183 -8.331 -14.042 1.00 0.00 C ATOM 1769 OD1 ASN B 28 -13.247 -8.471 -14.633 1.00 0.00 O ATOM 1770 ND2 ASN B 28 -11.167 -7.760 -14.613 1.00 0.00 N ATOM 0 H ASN B 28 -9.514 -9.337 -11.266 1.00 0.00 H new ATOM 0 HA ASN B 28 -11.090 -6.968 -12.030 1.00 0.00 H new ATOM 0 HB2 ASN B 28 -11.700 -9.849 -12.618 1.00 0.00 H new ATOM 0 HB3 ASN B 28 -13.031 -8.813 -12.141 1.00 0.00 H new ATOM 0 HD21 ASN B 28 -11.246 -7.418 -15.571 1.00 0.00 H new ATOM 0 HD22 ASN B 28 -10.290 -7.653 -14.104 1.00 0.00 H new ATOM 1777 N ILE B 29 -12.775 -7.556 -10.034 1.00 0.00 N ATOM 1778 CA ILE B 29 -13.442 -7.582 -8.719 1.00 0.00 C ATOM 1779 C ILE B 29 -13.537 -9.008 -8.168 1.00 0.00 C ATOM 1780 O ILE B 29 -13.647 -9.982 -8.948 1.00 0.00 O ATOM 1781 CB ILE B 29 -14.892 -6.947 -8.816 1.00 0.00 C ATOM 1782 CG1 ILE B 29 -14.833 -5.425 -9.026 1.00 0.00 C ATOM 1783 CG2 ILE B 29 -15.793 -7.278 -7.615 1.00 0.00 C ATOM 1784 CD1 ILE B 29 -14.179 -4.660 -7.898 1.00 0.00 C ATOM 0 H ILE B 29 -13.312 -7.063 -10.747 1.00 0.00 H new ATOM 0 HA ILE B 29 -12.836 -6.989 -8.034 1.00 0.00 H new ATOM 0 HB ILE B 29 -15.347 -7.411 -9.691 1.00 0.00 H new ATOM 0 HG12 ILE B 29 -14.291 -5.219 -9.949 1.00 0.00 H new ATOM 0 HG13 ILE B 29 -15.848 -5.050 -9.162 1.00 0.00 H new ATOM 0 HG21 ILE B 29 -16.768 -6.810 -7.752 1.00 0.00 H new ATOM 0 HG22 ILE B 29 -15.916 -8.358 -7.540 1.00 0.00 H new ATOM 0 HG23 ILE B 29 -15.334 -6.901 -6.701 1.00 0.00 H new ATOM 0 HD11 ILE B 29 -14.181 -3.595 -8.131 1.00 0.00 H new ATOM 0 HD12 ILE B 29 -14.732 -4.830 -6.974 1.00 0.00 H new ATOM 0 HD13 ILE B 29 -13.151 -5.002 -7.774 1.00 0.00 H new ATOM 1796 N ASP B 30 -13.482 -9.103 -6.827 1.00 0.00 N ATOM 1797 CA ASP B 30 -13.604 -10.340 -6.047 1.00 0.00 C ATOM 1798 C ASP B 30 -12.247 -10.980 -5.865 1.00 0.00 C ATOM 1799 O ASP B 30 -12.123 -12.079 -5.328 1.00 0.00 O ATOM 1800 CB ASP B 30 -14.677 -11.315 -6.625 1.00 0.00 C ATOM 1801 CG ASP B 30 -14.986 -12.504 -5.746 1.00 0.00 C ATOM 1802 OD1 ASP B 30 -15.680 -12.320 -4.736 1.00 0.00 O ATOM 1803 OD2 ASP B 30 -14.580 -13.640 -6.079 1.00 0.00 O ATOM 0 H ASP B 30 -13.345 -8.283 -6.236 1.00 0.00 H new ATOM 0 HA ASP B 30 -13.976 -10.080 -5.056 1.00 0.00 H new ATOM 0 HB2 ASP B 30 -15.598 -10.759 -6.798 1.00 0.00 H new ATOM 0 HB3 ASP B 30 -14.336 -11.676 -7.595 1.00 0.00 H new ATOM 1808 N ASP B 31 -11.210 -10.224 -6.226 1.00 0.00 N ATOM 1809 CA ASP B 31 -9.846 -10.661 -6.091 1.00 0.00 C ATOM 1810 C ASP B 31 -9.444 -10.464 -4.638 1.00 0.00 C ATOM 1811 O ASP B 31 -10.286 -10.061 -3.807 1.00 0.00 O ATOM 1812 CB ASP B 31 -8.929 -9.865 -7.046 1.00 0.00 C ATOM 1813 CG ASP B 31 -8.824 -8.405 -6.681 1.00 0.00 C ATOM 1814 OD1 ASP B 31 -9.837 -7.684 -6.856 1.00 0.00 O ATOM 1815 OD2 ASP B 31 -7.735 -7.973 -6.253 1.00 0.00 O ATOM 0 H ASP B 31 -11.307 -9.289 -6.621 1.00 0.00 H new ATOM 0 HA ASP B 31 -9.746 -11.712 -6.361 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -7.933 -10.308 -7.038 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -9.309 -9.953 -8.064 1.00 0.00 H new ATOM 1820 N GLU B 32 -8.224 -10.696 -4.308 1.00 0.00 N ATOM 1821 CA GLU B 32 -7.834 -10.635 -2.938 1.00 0.00 C ATOM 1822 C GLU B 32 -6.623 -9.780 -2.814 1.00 0.00 C ATOM 1823 O GLU B 32 -5.974 -9.519 -3.796 1.00 0.00 O ATOM 1824 CB GLU B 32 -7.716 -12.059 -2.302 1.00 0.00 C ATOM 1825 CG GLU B 32 -6.749 -13.034 -2.951 1.00 0.00 C ATOM 1826 CD GLU B 32 -6.993 -14.471 -2.523 1.00 0.00 C ATOM 1827 OE1 GLU B 32 -7.857 -15.152 -3.115 1.00 0.00 O ATOM 1828 OE2 GLU B 32 -6.327 -14.955 -1.593 1.00 0.00 O ATOM 0 H GLU B 32 -7.478 -10.930 -4.963 1.00 0.00 H new ATOM 0 HA GLU B 32 -8.612 -10.157 -2.343 1.00 0.00 H new ATOM 0 HB2 GLU B 32 -7.425 -11.939 -1.259 1.00 0.00 H new ATOM 0 HB3 GLU B 32 -8.707 -12.513 -2.306 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -6.838 -12.961 -4.035 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -5.728 -12.751 -2.696 1.00 0.00 H new ATOM 1835 N VAL B 33 -6.352 -9.254 -1.655 1.00 0.00 N ATOM 1836 CA VAL B 33 -5.190 -8.401 -1.525 1.00 0.00 C ATOM 1837 C VAL B 33 -4.433 -8.766 -0.292 1.00 0.00 C ATOM 1838 O VAL B 33 -5.034 -9.189 0.704 1.00 0.00 O ATOM 1839 CB VAL B 33 -5.498 -6.830 -1.572 1.00 0.00 C ATOM 1840 CG1 VAL B 33 -6.584 -6.497 -2.553 1.00 0.00 C ATOM 1841 CG2 VAL B 33 -5.855 -6.233 -0.237 1.00 0.00 C ATOM 0 H VAL B 33 -6.897 -9.390 -0.804 1.00 0.00 H new ATOM 0 HA VAL B 33 -4.580 -8.585 -2.409 1.00 0.00 H new ATOM 0 HB VAL B 33 -4.556 -6.386 -1.894 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -6.759 -5.421 -2.551 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -6.282 -6.814 -3.551 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -7.501 -7.014 -2.270 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -6.049 -5.167 -0.355 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -6.747 -6.723 0.154 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -5.028 -6.377 0.459 1.00 0.00 H new ATOM 1851 N LYS B 34 -3.136 -8.692 -0.383 1.00 0.00 N ATOM 1852 CA LYS B 34 -2.274 -8.961 0.740 1.00 0.00 C ATOM 1853 C LYS B 34 -1.966 -7.676 1.489 1.00 0.00 C ATOM 1854 O LYS B 34 -1.178 -6.856 1.012 1.00 0.00 O ATOM 1855 CB LYS B 34 -0.972 -9.590 0.263 1.00 0.00 C ATOM 1856 CG LYS B 34 -1.131 -10.950 -0.393 1.00 0.00 C ATOM 1857 CD LYS B 34 0.186 -11.474 -0.944 1.00 0.00 C ATOM 1858 CE LYS B 34 0.718 -10.582 -2.056 1.00 0.00 C ATOM 1859 NZ LYS B 34 1.970 -11.089 -2.642 1.00 0.00 N ATOM 0 H LYS B 34 -2.642 -8.443 -1.240 1.00 0.00 H new ATOM 0 HA LYS B 34 -2.787 -9.652 1.409 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -0.495 -8.913 -0.445 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -0.298 -9.688 1.114 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -1.528 -11.659 0.334 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -1.860 -10.880 -1.201 1.00 0.00 H new ATOM 0 HD2 LYS B 34 0.920 -11.533 -0.141 1.00 0.00 H new ATOM 0 HD3 LYS B 34 0.046 -12.486 -1.323 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -0.036 -10.496 -2.839 1.00 0.00 H new ATOM 0 HE3 LYS B 34 0.886 -9.579 -1.663 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 2.288 -10.444 -3.394 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 2.700 -11.147 -1.904 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 1.808 -12.035 -3.043 1.00 0.00 H new ATOM 1873 N ILE B 35 -2.610 -7.487 2.620 1.00 0.00 N ATOM 1874 CA ILE B 35 -2.366 -6.336 3.455 1.00 0.00 C ATOM 1875 C ILE B 35 -1.191 -6.640 4.355 1.00 0.00 C ATOM 1876 O ILE B 35 -1.224 -7.607 5.133 1.00 0.00 O ATOM 1877 CB ILE B 35 -3.582 -5.924 4.391 1.00 0.00 C ATOM 1878 CG1 ILE B 35 -4.879 -5.600 3.632 1.00 0.00 C ATOM 1879 CG2 ILE B 35 -3.219 -4.745 5.281 1.00 0.00 C ATOM 1880 CD1 ILE B 35 -5.668 -6.801 3.205 1.00 0.00 C ATOM 0 H ILE B 35 -3.316 -8.127 2.984 1.00 0.00 H new ATOM 0 HA ILE B 35 -2.190 -5.504 2.773 1.00 0.00 H new ATOM 0 HB ILE B 35 -3.777 -6.809 4.997 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -5.508 -4.974 4.265 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -4.630 -5.012 2.749 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -4.072 -4.487 5.909 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -2.371 -5.013 5.912 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -2.954 -3.889 4.661 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -6.565 -6.478 2.677 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -5.061 -7.419 2.544 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -5.952 -7.381 4.083 1.00 0.00 H new ATOM 1892 N ASP B 36 -0.164 -5.876 4.220 1.00 0.00 N ATOM 1893 CA ASP B 36 0.975 -5.984 5.112 1.00 0.00 C ATOM 1894 C ASP B 36 1.298 -4.586 5.598 1.00 0.00 C ATOM 1895 O ASP B 36 1.184 -3.627 4.830 1.00 0.00 O ATOM 1896 CB ASP B 36 2.197 -6.561 4.395 1.00 0.00 C ATOM 1897 CG ASP B 36 3.088 -7.367 5.312 1.00 0.00 C ATOM 1898 OD1 ASP B 36 3.679 -6.800 6.246 1.00 0.00 O ATOM 1899 OD2 ASP B 36 3.248 -8.591 5.078 1.00 0.00 O ATOM 0 H ASP B 36 -0.074 -5.159 3.500 1.00 0.00 H new ATOM 0 HA ASP B 36 0.730 -6.654 5.936 1.00 0.00 H new ATOM 0 HB2 ASP B 36 1.864 -7.193 3.571 1.00 0.00 H new ATOM 0 HB3 ASP B 36 2.775 -5.746 3.959 1.00 0.00 H new ATOM 1904 N LEU B 37 1.632 -4.441 6.849 1.00 0.00 N ATOM 1905 CA LEU B 37 1.966 -3.208 7.392 1.00 0.00 C ATOM 1906 C LEU B 37 3.465 -3.104 7.379 1.00 0.00 C ATOM 1907 O LEU B 37 4.170 -4.008 7.840 1.00 0.00 O ATOM 1908 CB LEU B 37 1.410 -3.142 8.821 1.00 0.00 C ATOM 1909 CG LEU B 37 1.532 -1.828 9.613 1.00 0.00 C ATOM 1910 CD1 LEU B 37 2.942 -1.591 10.112 1.00 0.00 C ATOM 1911 CD2 LEU B 37 1.067 -0.679 8.773 1.00 0.00 C ATOM 0 H LEU B 37 1.673 -5.213 7.515 1.00 0.00 H new ATOM 0 HA LEU B 37 1.544 -2.379 6.824 1.00 0.00 H new ATOM 0 HB2 LEU B 37 0.352 -3.400 8.774 1.00 0.00 H new ATOM 0 HB3 LEU B 37 1.903 -3.922 9.401 1.00 0.00 H new ATOM 0 HG LEU B 37 0.894 -1.911 10.493 1.00 0.00 H new ATOM 0 HD11 LEU B 37 2.979 -0.652 10.665 1.00 0.00 H new ATOM 0 HD12 LEU B 37 3.239 -2.410 10.767 1.00 0.00 H new ATOM 0 HD13 LEU B 37 3.624 -1.540 9.264 1.00 0.00 H new ATOM 0 HD21 LEU B 37 1.157 0.247 9.341 1.00 0.00 H new ATOM 0 HD22 LEU B 37 1.680 -0.614 7.874 1.00 0.00 H new ATOM 0 HD23 LEU B 37 0.025 -0.832 8.491 1.00 0.00 H new ATOM 1923 N VAL B 38 3.923 -2.024 6.881 1.00 0.00 N ATOM 1924 CA VAL B 38 5.336 -1.727 6.786 1.00 0.00 C ATOM 1925 C VAL B 38 5.555 -0.272 7.114 1.00 0.00 C ATOM 1926 O VAL B 38 5.177 0.601 6.340 1.00 0.00 O ATOM 1927 CB VAL B 38 5.948 -2.020 5.371 1.00 0.00 C ATOM 1928 CG1 VAL B 38 7.426 -1.632 5.338 1.00 0.00 C ATOM 1929 CG2 VAL B 38 5.797 -3.487 4.988 1.00 0.00 C ATOM 0 H VAL B 38 3.325 -1.285 6.511 1.00 0.00 H new ATOM 0 HA VAL B 38 5.841 -2.383 7.494 1.00 0.00 H new ATOM 0 HB VAL B 38 5.398 -1.419 4.647 1.00 0.00 H new ATOM 0 HG11 VAL B 38 7.835 -1.842 4.350 1.00 0.00 H new ATOM 0 HG12 VAL B 38 7.528 -0.569 5.555 1.00 0.00 H new ATOM 0 HG13 VAL B 38 7.970 -2.209 6.086 1.00 0.00 H new ATOM 0 HG21 VAL B 38 6.232 -3.652 4.002 1.00 0.00 H new ATOM 0 HG22 VAL B 38 6.311 -4.109 5.721 1.00 0.00 H new ATOM 0 HG23 VAL B 38 4.740 -3.750 4.967 1.00 0.00 H new ATOM 1939 N ASP B 39 6.105 -0.033 8.288 1.00 0.00 N ATOM 1940 CA ASP B 39 6.475 1.301 8.769 1.00 0.00 C ATOM 1941 C ASP B 39 5.352 2.342 8.606 1.00 0.00 C ATOM 1942 O ASP B 39 5.439 3.257 7.808 1.00 0.00 O ATOM 1943 CB ASP B 39 7.812 1.777 8.151 1.00 0.00 C ATOM 1944 CG ASP B 39 8.231 3.166 8.593 1.00 0.00 C ATOM 1945 OD1 ASP B 39 8.681 3.334 9.747 1.00 0.00 O ATOM 1946 OD2 ASP B 39 8.113 4.122 7.787 1.00 0.00 O ATOM 0 H ASP B 39 6.316 -0.774 8.957 1.00 0.00 H new ATOM 0 HA ASP B 39 6.627 1.206 9.844 1.00 0.00 H new ATOM 0 HB2 ASP B 39 8.597 1.069 8.417 1.00 0.00 H new ATOM 0 HB3 ASP B 39 7.725 1.763 7.065 1.00 0.00 H new ATOM 1951 N GLY B 40 4.257 2.110 9.278 1.00 0.00 N ATOM 1952 CA GLY B 40 3.149 3.059 9.263 1.00 0.00 C ATOM 1953 C GLY B 40 2.274 3.028 8.007 1.00 0.00 C ATOM 1954 O GLY B 40 1.177 3.574 8.016 1.00 0.00 O ATOM 0 H GLY B 40 4.097 1.277 9.845 1.00 0.00 H new ATOM 0 HA2 GLY B 40 2.517 2.867 10.130 1.00 0.00 H new ATOM 0 HA3 GLY B 40 3.553 4.065 9.379 1.00 0.00 H new ATOM 1958 N LYS B 41 2.734 2.404 6.940 1.00 0.00 N ATOM 1959 CA LYS B 41 1.940 2.351 5.732 1.00 0.00 C ATOM 1960 C LYS B 41 1.530 0.951 5.411 1.00 0.00 C ATOM 1961 O LYS B 41 2.211 -0.020 5.774 1.00 0.00 O ATOM 1962 CB LYS B 41 2.575 3.047 4.484 1.00 0.00 C ATOM 1963 CG LYS B 41 4.001 2.650 4.107 1.00 0.00 C ATOM 1964 CD LYS B 41 5.033 3.516 4.816 1.00 0.00 C ATOM 1965 CE LYS B 41 6.448 3.100 4.470 1.00 0.00 C ATOM 1966 NZ LYS B 41 7.459 3.957 5.128 1.00 0.00 N ATOM 0 H LYS B 41 3.638 1.935 6.886 1.00 0.00 H new ATOM 0 HA LYS B 41 1.055 2.944 5.963 1.00 0.00 H new ATOM 0 HB2 LYS B 41 1.933 2.850 3.626 1.00 0.00 H new ATOM 0 HB3 LYS B 41 2.559 4.124 4.654 1.00 0.00 H new ATOM 0 HG2 LYS B 41 4.167 1.603 4.363 1.00 0.00 H new ATOM 0 HG3 LYS B 41 4.130 2.739 3.028 1.00 0.00 H new ATOM 0 HD2 LYS B 41 4.883 4.560 4.540 1.00 0.00 H new ATOM 0 HD3 LYS B 41 4.887 3.447 5.894 1.00 0.00 H new ATOM 0 HE2 LYS B 41 6.603 2.063 4.768 1.00 0.00 H new ATOM 0 HE3 LYS B 41 6.584 3.145 3.389 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 8.401 3.737 4.747 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 7.237 4.957 4.947 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 7.450 3.780 6.153 1.00 0.00 H new ATOM 1980 N LEU B 42 0.418 0.846 4.759 1.00 0.00 N ATOM 1981 CA LEU B 42 -0.119 -0.404 4.366 1.00 0.00 C ATOM 1982 C LEU B 42 0.267 -0.680 2.968 1.00 0.00 C ATOM 1983 O LEU B 42 0.079 0.147 2.066 1.00 0.00 O ATOM 1984 CB LEU B 42 -1.632 -0.404 4.514 1.00 0.00 C ATOM 1985 CG LEU B 42 -2.119 -0.324 5.942 1.00 0.00 C ATOM 1986 CD1 LEU B 42 -3.594 0.033 5.990 1.00 0.00 C ATOM 1987 CD2 LEU B 42 -1.882 -1.642 6.664 1.00 0.00 C ATOM 0 H LEU B 42 -0.150 1.647 4.482 1.00 0.00 H new ATOM 0 HA LEU B 42 0.280 -1.187 5.010 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -2.040 0.439 3.956 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -2.030 -1.310 4.057 1.00 0.00 H new ATOM 0 HG LEU B 42 -1.553 0.460 6.445 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -3.922 0.085 7.028 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -3.750 1.000 5.511 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -4.170 -0.729 5.465 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -2.239 -1.564 7.691 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -2.421 -2.439 6.152 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -0.816 -1.868 6.667 1.00 0.00 H new ATOM 1999 N ILE B 43 0.840 -1.787 2.794 1.00 0.00 N ATOM 2000 CA ILE B 43 1.236 -2.222 1.499 1.00 0.00 C ATOM 2001 C ILE B 43 0.099 -3.003 0.958 1.00 0.00 C ATOM 2002 O ILE B 43 -0.257 -4.060 1.481 1.00 0.00 O ATOM 2003 CB ILE B 43 2.494 -3.091 1.541 1.00 0.00 C ATOM 2004 CG1 ILE B 43 3.608 -2.389 2.320 1.00 0.00 C ATOM 2005 CG2 ILE B 43 2.954 -3.489 0.140 1.00 0.00 C ATOM 2006 CD1 ILE B 43 4.034 -1.034 1.774 1.00 0.00 C ATOM 0 H ILE B 43 1.059 -2.441 3.545 1.00 0.00 H new ATOM 0 HA ILE B 43 1.479 -1.362 0.875 1.00 0.00 H new ATOM 0 HB ILE B 43 2.245 -4.014 2.065 1.00 0.00 H new ATOM 0 HG12 ILE B 43 3.280 -2.259 3.351 1.00 0.00 H new ATOM 0 HG13 ILE B 43 4.480 -3.043 2.342 1.00 0.00 H new ATOM 0 HG21 ILE B 43 3.850 -4.105 0.213 1.00 0.00 H new ATOM 0 HG22 ILE B 43 2.164 -4.054 -0.356 1.00 0.00 H new ATOM 0 HG23 ILE B 43 3.177 -2.592 -0.438 1.00 0.00 H new ATOM 0 HD11 ILE B 43 4.828 -0.623 2.398 1.00 0.00 H new ATOM 0 HD12 ILE B 43 4.399 -1.151 0.754 1.00 0.00 H new ATOM 0 HD13 ILE B 43 3.181 -0.355 1.778 1.00 0.00 H new ATOM 2018 N ILE B 44 -0.511 -2.453 -0.011 1.00 0.00 N ATOM 2019 CA ILE B 44 -1.678 -3.023 -0.592 1.00 0.00 C ATOM 2020 C ILE B 44 -1.362 -3.481 -1.999 1.00 0.00 C ATOM 2021 O ILE B 44 -1.214 -2.683 -2.923 1.00 0.00 O ATOM 2022 CB ILE B 44 -2.864 -1.999 -0.564 1.00 0.00 C ATOM 2023 CG1 ILE B 44 -3.227 -1.605 0.886 1.00 0.00 C ATOM 2024 CG2 ILE B 44 -4.090 -2.500 -1.312 1.00 0.00 C ATOM 2025 CD1 ILE B 44 -3.663 -2.755 1.769 1.00 0.00 C ATOM 0 H ILE B 44 -0.217 -1.576 -0.440 1.00 0.00 H new ATOM 0 HA ILE B 44 -1.992 -3.890 -0.011 1.00 0.00 H new ATOM 0 HB ILE B 44 -2.517 -1.109 -1.088 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -2.363 -1.122 1.343 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -4.027 -0.865 0.857 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -4.880 -1.750 -1.260 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -3.831 -2.682 -2.355 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -4.439 -3.427 -0.858 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -3.896 -2.380 2.766 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -4.548 -3.226 1.342 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -2.859 -3.488 1.836 1.00 0.00 H new ATOM 2037 N GLU B 45 -1.217 -4.754 -2.143 1.00 0.00 N ATOM 2038 CA GLU B 45 -0.916 -5.351 -3.405 1.00 0.00 C ATOM 2039 C GLU B 45 -2.038 -6.300 -3.774 1.00 0.00 C ATOM 2040 O GLU B 45 -2.203 -7.352 -3.116 1.00 0.00 O ATOM 2041 CB GLU B 45 0.394 -6.132 -3.290 1.00 0.00 C ATOM 2042 CG GLU B 45 0.883 -6.720 -4.598 1.00 0.00 C ATOM 2043 CD GLU B 45 2.088 -7.597 -4.416 1.00 0.00 C ATOM 2044 OE1 GLU B 45 3.209 -7.087 -4.313 1.00 0.00 O ATOM 2045 OE2 GLU B 45 1.935 -8.828 -4.376 1.00 0.00 O ATOM 0 H GLU B 45 -1.305 -5.422 -1.377 1.00 0.00 H new ATOM 0 HA GLU B 45 -0.815 -4.582 -4.170 1.00 0.00 H new ATOM 0 HB2 GLU B 45 1.164 -5.472 -2.891 1.00 0.00 H new ATOM 0 HB3 GLU B 45 0.261 -6.939 -2.569 1.00 0.00 H new ATOM 0 HG2 GLU B 45 0.081 -7.299 -5.055 1.00 0.00 H new ATOM 0 HG3 GLU B 45 1.126 -5.912 -5.288 1.00 0.00 H new ATOM 2052 N PRO B 46 -2.908 -5.902 -4.720 1.00 0.00 N ATOM 2053 CA PRO B 46 -3.918 -6.785 -5.277 1.00 0.00 C ATOM 2054 C PRO B 46 -3.329 -8.052 -5.858 1.00 0.00 C ATOM 2055 O PRO B 46 -2.200 -8.081 -6.398 1.00 0.00 O ATOM 2056 CB PRO B 46 -4.556 -5.967 -6.377 1.00 0.00 C ATOM 2057 CG PRO B 46 -3.581 -4.907 -6.631 1.00 0.00 C ATOM 2058 CD PRO B 46 -3.065 -4.559 -5.279 1.00 0.00 C ATOM 0 HA PRO B 46 -4.617 -7.114 -4.508 1.00 0.00 H new ATOM 0 HB2 PRO B 46 -4.737 -6.567 -7.269 1.00 0.00 H new ATOM 0 HB3 PRO B 46 -5.518 -5.560 -6.067 1.00 0.00 H new ATOM 0 HG2 PRO B 46 -2.781 -5.250 -7.287 1.00 0.00 H new ATOM 0 HG3 PRO B 46 -4.044 -4.047 -7.115 1.00 0.00 H new ATOM 0 HD2 PRO B 46 -2.124 -4.011 -5.319 1.00 0.00 H new ATOM 0 HD3 PRO B 46 -3.765 -3.948 -4.709 1.00 0.00 H new ATOM 2066 N VAL B 47 -4.058 -9.062 -5.696 1.00 0.00 N ATOM 2067 CA VAL B 47 -3.709 -10.381 -6.131 1.00 0.00 C ATOM 2068 C VAL B 47 -4.919 -11.127 -6.673 1.00 0.00 C ATOM 2069 O VAL B 47 -5.886 -11.396 -5.952 1.00 0.00 O ATOM 2070 CB VAL B 47 -2.873 -11.169 -5.051 1.00 0.00 C ATOM 2071 CG1 VAL B 47 -3.457 -11.159 -3.685 1.00 0.00 C ATOM 2072 CG2 VAL B 47 -2.596 -12.570 -5.436 1.00 0.00 C ATOM 0 H VAL B 47 -4.967 -9.017 -5.235 1.00 0.00 H new ATOM 0 HA VAL B 47 -3.028 -10.289 -6.977 1.00 0.00 H new ATOM 0 HB VAL B 47 -1.938 -10.609 -5.018 1.00 0.00 H new ATOM 0 HG11 VAL B 47 -2.815 -11.725 -3.010 1.00 0.00 H new ATOM 0 HG12 VAL B 47 -3.538 -10.131 -3.332 1.00 0.00 H new ATOM 0 HG13 VAL B 47 -4.447 -11.614 -3.709 1.00 0.00 H new ATOM 0 HG21 VAL B 47 -2.018 -13.056 -4.650 1.00 0.00 H new ATOM 0 HG22 VAL B 47 -3.537 -13.102 -5.575 1.00 0.00 H new ATOM 0 HG23 VAL B 47 -2.029 -12.586 -6.367 1.00 0.00 H new