USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=16 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 Single : A 3 HIS : no HD1:sc= -0.0323 X(o=-0.032,f=-0.16) USER MOD Single : A 4 SER OG : rot 20:sc= 0.749 USER MOD Single : A 5 SER OG : rot -161:sc= -2.49! USER MOD Single : A 7 LYS NZ :NH3+ 157:sc= 1.22 (180deg=1.06) USER MOD Single : A 11 ASN : amide:sc= -0.0028 K(o=-0.0028,f=-0.74) USER MOD Single : A 12 SER OG : rot 130:sc= -0.0641 USER MOD Single : A 20 THR OG1 : rot 103:sc= 0.0824 USER MOD Single : A 22 MET CE :methyl 156:sc= -0.307 (180deg=-1.1) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 26 ASN : amide:sc= 0.0469 X(o=0.047,f=0) USER MOD Single : A 28 ASN : amide:sc= -0.401 X(o=-0.4,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -165:sc= 2.18 (180deg=2.04) USER MOD Single : A 41 LYS NZ :NH3+ -153:sc= 2.48 (180deg=2.07) USER MOD Single : B 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 53:sc= -1.72! USER MOD Single : B 7 LYS NZ :NH3+ 143:sc= 1.21 (180deg=1.08) USER MOD Single : B 11 ASN : amide:sc=-0.00278 K(o=-0.0028,f=-0.75) USER MOD Single : B 12 SER OG : rot 120:sc= -0.0394 USER MOD Single : B 20 THR OG1 : rot 180:sc= 0.0133 USER MOD Single : B 22 MET CE :methyl 156:sc= -0.265 (180deg=-0.998) USER MOD Single : B 23 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : B 26 ASN : amide:sc= -0.0603 X(o=-0.06,f=0) USER MOD Single : B 28 ASN : amide:sc= -0.367 X(o=-0.37,f=0) USER MOD Single : B 34 LYS NZ :NH3+ -162:sc= 2.18 (180deg=2.04) USER MOD Single : B 41 LYS NZ :NH3+ -160:sc= 2.24 (180deg=1.93) USER MOD ----------------------------------------------------------------- ATOM 279 N ILE A 2 -2.233 -9.726 6.484 1.00 0.00 N ATOM 280 CA ILE A 2 -3.643 -10.022 6.531 1.00 0.00 C ATOM 281 C ILE A 2 -4.168 -10.199 5.110 1.00 0.00 C ATOM 282 O ILE A 2 -3.760 -9.497 4.204 1.00 0.00 O ATOM 283 CB ILE A 2 -4.425 -8.863 7.248 1.00 0.00 C ATOM 284 CG1 ILE A 2 -3.873 -8.642 8.671 1.00 0.00 C ATOM 285 CG2 ILE A 2 -5.929 -9.156 7.299 1.00 0.00 C ATOM 286 CD1 ILE A 2 -4.502 -7.478 9.416 1.00 0.00 C ATOM 0 HA ILE A 2 -3.795 -10.942 7.096 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.279 -7.952 6.668 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.024 -9.552 9.251 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.797 -8.478 8.609 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -6.443 -8.336 7.801 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.314 -9.259 6.285 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -6.101 -10.082 7.848 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -4.055 -7.396 10.407 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -4.329 -6.555 8.862 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -5.574 -7.646 9.515 1.00 0.00 H new ATOM 298 N HIS A 3 -5.024 -11.153 4.910 1.00 0.00 N ATOM 299 CA HIS A 3 -5.632 -11.354 3.613 1.00 0.00 C ATOM 300 C HIS A 3 -6.974 -10.631 3.561 1.00 0.00 C ATOM 301 O HIS A 3 -7.676 -10.540 4.574 1.00 0.00 O ATOM 302 CB HIS A 3 -5.778 -12.862 3.284 1.00 0.00 C ATOM 303 CG HIS A 3 -6.573 -13.664 4.290 1.00 0.00 C ATOM 304 ND1 HIS A 3 -6.015 -14.281 5.386 1.00 0.00 N ATOM 305 CD2 HIS A 3 -7.900 -13.940 4.343 1.00 0.00 C ATOM 306 CE1 HIS A 3 -6.987 -14.898 6.058 1.00 0.00 C ATOM 307 NE2 HIS A 3 -8.159 -14.721 5.468 1.00 0.00 N ATOM 0 H HIS A 3 -5.325 -11.813 5.627 1.00 0.00 H new ATOM 0 HA HIS A 3 -4.981 -10.931 2.848 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -6.252 -12.961 2.308 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -4.782 -13.298 3.200 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -8.638 -13.608 3.628 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.838 -15.467 6.964 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -9.063 -15.081 5.773 1.00 0.00 H new ATOM 315 N SER A 4 -7.291 -10.079 2.433 1.00 0.00 N ATOM 316 CA SER A 4 -8.536 -9.378 2.221 1.00 0.00 C ATOM 317 C SER A 4 -8.919 -9.444 0.755 1.00 0.00 C ATOM 318 O SER A 4 -8.308 -10.180 0.000 1.00 0.00 O ATOM 319 CB SER A 4 -8.431 -7.933 2.721 1.00 0.00 C ATOM 320 OG SER A 4 -8.479 -7.881 4.134 1.00 0.00 O ATOM 0 H SER A 4 -6.686 -10.098 1.612 1.00 0.00 H new ATOM 0 HA SER A 4 -9.326 -9.861 2.796 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.500 -7.489 2.369 1.00 0.00 H new ATOM 0 HB3 SER A 4 -9.245 -7.340 2.304 1.00 0.00 H new ATOM 0 HG SER A 4 -8.254 -8.761 4.502 1.00 0.00 H new ATOM 326 N SER A 5 -9.912 -8.698 0.356 1.00 0.00 N ATOM 327 CA SER A 5 -10.381 -8.759 -0.989 1.00 0.00 C ATOM 328 C SER A 5 -11.012 -7.439 -1.414 1.00 0.00 C ATOM 329 O SER A 5 -11.457 -6.644 -0.568 1.00 0.00 O ATOM 330 CB SER A 5 -11.371 -9.926 -1.120 1.00 0.00 C ATOM 331 OG SER A 5 -12.348 -9.878 -0.089 1.00 0.00 O ATOM 0 H SER A 5 -10.411 -8.038 0.953 1.00 0.00 H new ATOM 0 HA SER A 5 -9.538 -8.932 -1.658 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.861 -9.886 -2.093 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.832 -10.873 -1.073 1.00 0.00 H new ATOM 0 HG SER A 5 -12.772 -10.757 0.001 1.00 0.00 H new ATOM 337 N VAL A 6 -11.006 -7.199 -2.698 1.00 0.00 N ATOM 338 CA VAL A 6 -11.607 -6.015 -3.279 1.00 0.00 C ATOM 339 C VAL A 6 -13.037 -6.321 -3.611 1.00 0.00 C ATOM 340 O VAL A 6 -13.307 -7.242 -4.361 1.00 0.00 O ATOM 341 CB VAL A 6 -10.879 -5.599 -4.579 1.00 0.00 C ATOM 342 CG1 VAL A 6 -11.518 -4.369 -5.212 1.00 0.00 C ATOM 343 CG2 VAL A 6 -9.428 -5.350 -4.297 1.00 0.00 C ATOM 0 H VAL A 6 -10.580 -7.824 -3.383 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.533 -5.198 -2.561 1.00 0.00 H new ATOM 0 HB VAL A 6 -10.970 -6.418 -5.292 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.979 -4.107 -6.123 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.559 -4.584 -5.455 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.474 -3.535 -4.512 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.923 -5.058 -5.218 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -9.332 -4.551 -3.561 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.972 -6.260 -3.906 1.00 0.00 H new ATOM 353 N LYS A 7 -13.938 -5.586 -3.066 1.00 0.00 N ATOM 354 CA LYS A 7 -15.323 -5.818 -3.308 1.00 0.00 C ATOM 355 C LYS A 7 -15.894 -4.583 -4.021 1.00 0.00 C ATOM 356 O LYS A 7 -15.237 -3.537 -4.069 1.00 0.00 O ATOM 357 CB LYS A 7 -16.021 -6.077 -1.977 1.00 0.00 C ATOM 358 CG LYS A 7 -15.465 -7.241 -1.167 1.00 0.00 C ATOM 359 CD LYS A 7 -15.777 -8.578 -1.802 1.00 0.00 C ATOM 360 CE LYS A 7 -15.256 -9.713 -0.934 1.00 0.00 C ATOM 361 NZ LYS A 7 -15.718 -11.036 -1.379 1.00 0.00 N ATOM 0 H LYS A 7 -13.740 -4.806 -2.439 1.00 0.00 H new ATOM 0 HA LYS A 7 -15.479 -6.691 -3.942 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -15.960 -5.173 -1.372 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -17.078 -6.262 -2.169 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -14.385 -7.130 -1.069 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -15.881 -7.213 -0.160 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -16.854 -8.681 -1.938 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -15.324 -8.632 -2.792 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.166 -9.695 -0.938 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -15.574 -9.551 0.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.063 -11.767 -1.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -16.669 -11.217 -1.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.749 -11.061 -2.418 1.00 0.00 H new ATOM 375 N ARG A 8 -17.066 -4.692 -4.586 1.00 0.00 N ATOM 376 CA ARG A 8 -17.647 -3.579 -5.304 1.00 0.00 C ATOM 377 C ARG A 8 -18.674 -2.845 -4.465 1.00 0.00 C ATOM 378 O ARG A 8 -19.690 -3.405 -4.072 1.00 0.00 O ATOM 379 CB ARG A 8 -18.271 -4.021 -6.604 1.00 0.00 C ATOM 380 CG ARG A 8 -18.799 -2.871 -7.418 1.00 0.00 C ATOM 381 CD ARG A 8 -19.374 -3.360 -8.699 1.00 0.00 C ATOM 382 NE ARG A 8 -18.346 -3.724 -9.679 1.00 0.00 N ATOM 383 CZ ARG A 8 -18.488 -4.641 -10.650 1.00 0.00 C ATOM 384 NH1 ARG A 8 -19.512 -5.494 -10.638 1.00 0.00 N ATOM 385 NH2 ARG A 8 -17.564 -4.744 -11.595 1.00 0.00 N ATOM 0 H ARG A 8 -17.639 -5.535 -4.566 1.00 0.00 H new ATOM 0 HA ARG A 8 -16.829 -2.893 -5.527 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -17.531 -4.566 -7.190 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -19.085 -4.715 -6.394 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -19.561 -2.336 -6.851 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -17.996 -2.162 -7.620 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -20.005 -4.227 -8.502 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -20.016 -2.588 -9.122 1.00 0.00 H new ATOM 0 HE ARG A 8 -17.450 -3.241 -9.618 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -20.199 -5.455 -9.885 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -19.608 -6.186 -11.381 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -16.751 -4.129 -11.582 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -17.666 -5.439 -12.335 1.00 0.00 H new ATOM 399 N TRP A 9 -18.397 -1.609 -4.202 1.00 0.00 N ATOM 400 CA TRP A 9 -19.268 -0.741 -3.458 1.00 0.00 C ATOM 401 C TRP A 9 -19.921 0.197 -4.450 1.00 0.00 C ATOM 402 O TRP A 9 -19.320 1.200 -4.865 1.00 0.00 O ATOM 403 CB TRP A 9 -18.426 0.016 -2.422 1.00 0.00 C ATOM 404 CG TRP A 9 -19.137 0.946 -1.492 1.00 0.00 C ATOM 405 CD1 TRP A 9 -20.470 1.029 -1.257 1.00 0.00 C ATOM 406 CD2 TRP A 9 -18.526 1.914 -0.622 1.00 0.00 C ATOM 407 NE1 TRP A 9 -20.714 1.952 -0.301 1.00 0.00 N ATOM 408 CE2 TRP A 9 -19.563 2.526 0.088 1.00 0.00 C ATOM 409 CE3 TRP A 9 -17.206 2.324 -0.366 1.00 0.00 C ATOM 410 CZ2 TRP A 9 -19.349 3.512 1.015 1.00 0.00 C ATOM 411 CZ3 TRP A 9 -17.001 3.305 0.561 1.00 0.00 C ATOM 412 CH2 TRP A 9 -18.076 3.891 1.239 1.00 0.00 C ATOM 0 H TRP A 9 -17.534 -1.157 -4.505 1.00 0.00 H new ATOM 0 HA TRP A 9 -20.045 -1.288 -2.923 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -17.896 -0.721 -1.819 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -17.672 0.591 -2.959 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -21.225 0.443 -1.760 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -21.636 2.180 0.071 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -16.375 1.874 -0.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -20.171 3.969 1.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -15.995 3.634 0.774 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -17.879 4.669 1.962 1.00 0.00 H new ATOM 423 N GLY A 10 -21.107 -0.164 -4.891 1.00 0.00 N ATOM 424 CA GLY A 10 -21.782 0.605 -5.906 1.00 0.00 C ATOM 425 C GLY A 10 -21.083 0.410 -7.228 1.00 0.00 C ATOM 426 O GLY A 10 -21.023 -0.696 -7.738 1.00 0.00 O ATOM 0 H GLY A 10 -21.619 -0.982 -4.562 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -22.823 0.292 -5.983 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -21.785 1.661 -5.636 1.00 0.00 H new ATOM 430 N ASN A 11 -20.539 1.463 -7.767 1.00 0.00 N ATOM 431 CA ASN A 11 -19.739 1.362 -8.993 1.00 0.00 C ATOM 432 C ASN A 11 -18.266 1.602 -8.701 1.00 0.00 C ATOM 433 O ASN A 11 -17.507 1.989 -9.588 1.00 0.00 O ATOM 434 CB ASN A 11 -20.218 2.381 -10.022 1.00 0.00 C ATOM 435 CG ASN A 11 -21.528 2.013 -10.651 1.00 0.00 C ATOM 436 OD1 ASN A 11 -21.818 0.836 -10.884 1.00 0.00 O ATOM 437 ND2 ASN A 11 -22.342 2.992 -10.901 1.00 0.00 N ATOM 0 H ASN A 11 -20.624 2.408 -7.392 1.00 0.00 H new ATOM 0 HA ASN A 11 -19.862 0.355 -9.390 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -20.313 3.355 -9.542 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -19.463 2.482 -10.802 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -23.259 2.802 -11.305 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -22.065 3.951 -10.694 1.00 0.00 H new ATOM 444 N SER A 12 -17.838 1.299 -7.497 1.00 0.00 N ATOM 445 CA SER A 12 -16.516 1.595 -7.102 1.00 0.00 C ATOM 446 C SER A 12 -15.907 0.396 -6.413 1.00 0.00 C ATOM 447 O SER A 12 -16.521 -0.187 -5.524 1.00 0.00 O ATOM 448 CB SER A 12 -16.525 2.806 -6.154 1.00 0.00 C ATOM 449 OG SER A 12 -15.230 3.087 -5.626 1.00 0.00 O ATOM 0 H SER A 12 -18.406 0.844 -6.782 1.00 0.00 H new ATOM 0 HA SER A 12 -15.917 1.834 -7.981 1.00 0.00 H new ATOM 0 HB2 SER A 12 -16.895 3.681 -6.689 1.00 0.00 H new ATOM 0 HB3 SER A 12 -17.217 2.618 -5.333 1.00 0.00 H new ATOM 0 HG SER A 12 -15.026 4.038 -5.748 1.00 0.00 H new ATOM 455 N PRO A 13 -14.738 -0.024 -6.851 1.00 0.00 N ATOM 456 CA PRO A 13 -13.990 -1.060 -6.171 1.00 0.00 C ATOM 457 C PRO A 13 -13.461 -0.519 -4.848 1.00 0.00 C ATOM 458 O PRO A 13 -12.816 0.548 -4.802 1.00 0.00 O ATOM 459 CB PRO A 13 -12.838 -1.374 -7.124 1.00 0.00 C ATOM 460 CG PRO A 13 -12.714 -0.176 -7.995 1.00 0.00 C ATOM 461 CD PRO A 13 -14.065 0.453 -8.068 1.00 0.00 C ATOM 0 HA PRO A 13 -14.586 -1.943 -5.941 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.914 -1.560 -6.577 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -13.046 -2.268 -7.712 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.985 0.524 -7.587 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.365 -0.456 -8.989 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -14.000 1.541 -8.089 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -14.600 0.148 -8.967 1.00 0.00 H new ATOM 469 N ALA A 14 -13.760 -1.199 -3.793 1.00 0.00 N ATOM 470 CA ALA A 14 -13.361 -0.770 -2.499 1.00 0.00 C ATOM 471 C ALA A 14 -12.801 -1.927 -1.723 1.00 0.00 C ATOM 472 O ALA A 14 -13.271 -3.066 -1.854 1.00 0.00 O ATOM 473 CB ALA A 14 -14.536 -0.142 -1.764 1.00 0.00 C ATOM 0 H ALA A 14 -14.290 -2.071 -3.806 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.582 -0.014 -2.601 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -14.215 0.182 -0.774 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -14.900 0.718 -2.327 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -15.336 -0.875 -1.664 1.00 0.00 H new ATOM 479 N VAL A 15 -11.799 -1.662 -0.951 1.00 0.00 N ATOM 480 CA VAL A 15 -11.209 -2.685 -0.131 1.00 0.00 C ATOM 481 C VAL A 15 -11.499 -2.363 1.321 1.00 0.00 C ATOM 482 O VAL A 15 -11.510 -1.183 1.716 1.00 0.00 O ATOM 483 CB VAL A 15 -9.672 -2.881 -0.402 1.00 0.00 C ATOM 484 CG1 VAL A 15 -8.852 -1.660 -0.021 1.00 0.00 C ATOM 485 CG2 VAL A 15 -9.134 -4.134 0.286 1.00 0.00 C ATOM 0 H VAL A 15 -11.365 -0.743 -0.866 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.659 -3.643 -0.389 1.00 0.00 H new ATOM 0 HB VAL A 15 -9.567 -3.014 -1.479 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.799 -1.850 -0.229 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.187 -0.801 -0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.981 -1.452 1.041 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.069 -4.236 0.076 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.285 -4.051 1.362 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.663 -5.010 -0.088 1.00 0.00 H new ATOM 495 N ARG A 16 -11.798 -3.382 2.077 1.00 0.00 N ATOM 496 CA ARG A 16 -12.149 -3.242 3.458 1.00 0.00 C ATOM 497 C ARG A 16 -10.936 -3.242 4.355 1.00 0.00 C ATOM 498 O ARG A 16 -10.161 -4.193 4.374 1.00 0.00 O ATOM 499 CB ARG A 16 -13.126 -4.332 3.847 1.00 0.00 C ATOM 500 CG ARG A 16 -14.478 -4.101 3.245 1.00 0.00 C ATOM 501 CD ARG A 16 -15.468 -5.174 3.604 1.00 0.00 C ATOM 502 NE ARG A 16 -16.833 -4.801 3.192 1.00 0.00 N ATOM 503 CZ ARG A 16 -17.855 -5.651 3.017 1.00 0.00 C ATOM 504 NH1 ARG A 16 -17.687 -6.958 3.219 1.00 0.00 N ATOM 505 NH2 ARG A 16 -19.056 -5.185 2.670 1.00 0.00 N ATOM 0 H ARG A 16 -11.804 -4.346 1.744 1.00 0.00 H new ATOM 0 HA ARG A 16 -12.628 -2.272 3.592 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -12.742 -5.299 3.521 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -13.213 -4.373 4.933 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -14.859 -3.136 3.579 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -14.383 -4.049 2.160 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -15.184 -6.110 3.123 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -15.445 -5.348 4.680 1.00 0.00 H new ATOM 0 HE ARG A 16 -17.016 -3.811 3.026 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -16.777 -7.316 3.508 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -18.468 -7.599 3.084 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -19.196 -4.183 2.538 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -19.834 -5.830 2.536 1.00 0.00 H new ATOM 519 N ILE A 17 -10.784 -2.174 5.089 1.00 0.00 N ATOM 520 CA ILE A 17 -9.693 -2.014 6.018 1.00 0.00 C ATOM 521 C ILE A 17 -10.179 -2.455 7.400 1.00 0.00 C ATOM 522 O ILE A 17 -11.309 -2.162 7.771 1.00 0.00 O ATOM 523 CB ILE A 17 -9.164 -0.508 6.070 1.00 0.00 C ATOM 524 CG1 ILE A 17 -8.331 -0.115 4.844 1.00 0.00 C ATOM 525 CG2 ILE A 17 -8.375 -0.188 7.308 1.00 0.00 C ATOM 526 CD1 ILE A 17 -9.105 0.108 3.612 1.00 0.00 C ATOM 0 H ILE A 17 -11.422 -1.378 5.060 1.00 0.00 H new ATOM 0 HA ILE A 17 -8.854 -2.628 5.689 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.081 0.081 6.080 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.776 0.794 5.076 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.596 -0.898 4.657 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -8.049 0.851 7.273 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.000 -0.343 8.188 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.503 -0.840 7.363 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.429 0.381 2.802 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.638 -0.805 3.347 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.822 0.913 3.773 1.00 0.00 H new ATOM 538 N PRO A 18 -9.386 -3.234 8.145 1.00 0.00 N ATOM 539 CA PRO A 18 -9.742 -3.596 9.504 1.00 0.00 C ATOM 540 C PRO A 18 -9.700 -2.360 10.404 1.00 0.00 C ATOM 541 O PRO A 18 -8.759 -1.547 10.310 1.00 0.00 O ATOM 542 CB PRO A 18 -8.670 -4.601 9.942 1.00 0.00 C ATOM 543 CG PRO A 18 -7.849 -4.905 8.729 1.00 0.00 C ATOM 544 CD PRO A 18 -8.115 -3.829 7.714 1.00 0.00 C ATOM 0 HA PRO A 18 -10.747 -4.012 9.569 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.050 -4.185 10.736 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.127 -5.508 10.338 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.789 -4.937 8.983 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.110 -5.884 8.326 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.314 -3.090 7.698 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.189 -4.240 6.707 1.00 0.00 H new ATOM 552 N ALA A 19 -10.683 -2.223 11.281 1.00 0.00 N ATOM 553 CA ALA A 19 -10.773 -1.067 12.172 1.00 0.00 C ATOM 554 C ALA A 19 -9.563 -0.984 13.087 1.00 0.00 C ATOM 555 O ALA A 19 -9.124 0.097 13.461 1.00 0.00 O ATOM 556 CB ALA A 19 -12.053 -1.107 12.977 1.00 0.00 C ATOM 0 H ALA A 19 -11.436 -2.901 11.398 1.00 0.00 H new ATOM 0 HA ALA A 19 -10.787 -0.169 11.554 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -12.098 -0.237 13.633 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -12.908 -1.097 12.301 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.077 -2.016 13.578 1.00 0.00 H new ATOM 562 N THR A 20 -9.013 -2.138 13.397 1.00 0.00 N ATOM 563 CA THR A 20 -7.814 -2.271 14.187 1.00 0.00 C ATOM 564 C THR A 20 -6.659 -1.479 13.547 1.00 0.00 C ATOM 565 O THR A 20 -5.892 -0.812 14.223 1.00 0.00 O ATOM 566 CB THR A 20 -7.450 -3.755 14.216 1.00 0.00 C ATOM 567 OG1 THR A 20 -8.645 -4.494 14.450 1.00 0.00 O ATOM 568 CG2 THR A 20 -6.451 -4.057 15.314 1.00 0.00 C ATOM 0 H THR A 20 -9.400 -3.033 13.097 1.00 0.00 H new ATOM 0 HA THR A 20 -7.981 -1.883 15.192 1.00 0.00 H new ATOM 0 HB THR A 20 -6.994 -4.031 13.265 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.954 -4.892 13.609 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.213 -5.121 15.307 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.541 -3.481 15.146 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.879 -3.787 16.279 1.00 0.00 H new ATOM 576 N LEU A 21 -6.596 -1.518 12.230 1.00 0.00 N ATOM 577 CA LEU A 21 -5.541 -0.851 11.489 1.00 0.00 C ATOM 578 C LEU A 21 -5.770 0.604 11.430 1.00 0.00 C ATOM 579 O LEU A 21 -4.839 1.374 11.455 1.00 0.00 O ATOM 580 CB LEU A 21 -5.391 -1.428 10.103 1.00 0.00 C ATOM 581 CG LEU A 21 -4.524 -2.670 9.990 1.00 0.00 C ATOM 582 CD1 LEU A 21 -3.060 -2.307 10.192 1.00 0.00 C ATOM 583 CD2 LEU A 21 -4.923 -3.724 11.004 1.00 0.00 C ATOM 0 H LEU A 21 -7.271 -2.010 11.645 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.607 -1.024 12.024 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.384 -1.666 9.720 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.975 -0.658 9.453 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.670 -3.082 8.991 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.448 -3.205 10.109 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.755 -1.588 9.431 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.927 -1.868 11.181 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.281 -4.598 10.893 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.815 -3.320 12.011 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.961 -4.013 10.839 1.00 0.00 H new ATOM 595 N MET A 22 -7.015 0.974 11.354 1.00 0.00 N ATOM 596 CA MET A 22 -7.407 2.400 11.418 1.00 0.00 C ATOM 597 C MET A 22 -6.828 3.013 12.661 1.00 0.00 C ATOM 598 O MET A 22 -6.193 4.064 12.623 1.00 0.00 O ATOM 599 CB MET A 22 -8.905 2.590 11.514 1.00 0.00 C ATOM 600 CG MET A 22 -9.740 2.043 10.399 1.00 0.00 C ATOM 601 SD MET A 22 -11.490 2.279 10.743 1.00 0.00 S ATOM 602 CE MET A 22 -11.569 4.063 10.915 1.00 0.00 C ATOM 0 H MET A 22 -7.796 0.327 11.247 1.00 0.00 H new ATOM 0 HA MET A 22 -7.040 2.864 10.502 1.00 0.00 H new ATOM 0 HB2 MET A 22 -9.244 2.134 12.444 1.00 0.00 H new ATOM 0 HB3 MET A 22 -9.105 3.659 11.592 1.00 0.00 H new ATOM 0 HG2 MET A 22 -9.478 2.539 9.464 1.00 0.00 H new ATOM 0 HG3 MET A 22 -9.530 0.982 10.267 1.00 0.00 H new ATOM 0 HE1 MET A 22 -12.583 4.404 10.706 1.00 0.00 H new ATOM 0 HE2 MET A 22 -11.295 4.343 11.932 1.00 0.00 H new ATOM 0 HE3 MET A 22 -10.878 4.527 10.212 1.00 0.00 H new ATOM 612 N GLN A 23 -7.036 2.318 13.743 1.00 0.00 N ATOM 613 CA GLN A 23 -6.569 2.713 15.040 1.00 0.00 C ATOM 614 C GLN A 23 -5.060 2.646 15.110 1.00 0.00 C ATOM 615 O GLN A 23 -4.414 3.459 15.780 1.00 0.00 O ATOM 616 CB GLN A 23 -7.192 1.803 16.074 1.00 0.00 C ATOM 617 CG GLN A 23 -8.700 1.902 16.078 1.00 0.00 C ATOM 618 CD GLN A 23 -9.388 0.926 17.013 1.00 0.00 C ATOM 619 OE1 GLN A 23 -8.904 -0.180 17.259 1.00 0.00 O ATOM 620 NE2 GLN A 23 -10.517 1.317 17.536 1.00 0.00 N ATOM 0 H GLN A 23 -7.549 1.437 13.746 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.860 3.745 15.235 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.897 0.773 15.876 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.809 2.060 17.062 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.985 2.916 16.357 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.066 1.736 15.065 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -10.891 2.239 17.312 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -11.026 0.701 18.169 1.00 0.00 H new ATOM 629 N ALA A 24 -4.496 1.717 14.380 1.00 0.00 N ATOM 630 CA ALA A 24 -3.053 1.519 14.400 1.00 0.00 C ATOM 631 C ALA A 24 -2.335 2.621 13.630 1.00 0.00 C ATOM 632 O ALA A 24 -1.236 3.035 13.983 1.00 0.00 O ATOM 633 CB ALA A 24 -2.686 0.147 13.850 1.00 0.00 C ATOM 0 H ALA A 24 -5.005 1.083 13.763 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.724 1.568 15.438 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.603 0.023 13.875 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.154 -0.626 14.459 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.037 0.061 12.822 1.00 0.00 H new ATOM 639 N LEU A 25 -2.978 3.118 12.601 1.00 0.00 N ATOM 640 CA LEU A 25 -2.398 4.135 11.754 1.00 0.00 C ATOM 641 C LEU A 25 -2.810 5.521 12.224 1.00 0.00 C ATOM 642 O LEU A 25 -2.205 6.523 11.845 1.00 0.00 O ATOM 643 CB LEU A 25 -2.871 3.908 10.343 1.00 0.00 C ATOM 644 CG LEU A 25 -2.604 2.519 9.779 1.00 0.00 C ATOM 645 CD1 LEU A 25 -3.210 2.391 8.426 1.00 0.00 C ATOM 646 CD2 LEU A 25 -1.120 2.212 9.730 1.00 0.00 C ATOM 0 H LEU A 25 -3.917 2.830 12.326 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.311 4.072 11.800 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.944 4.098 10.303 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.393 4.643 9.695 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.066 1.791 10.446 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.013 1.394 8.032 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.286 2.549 8.493 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.775 3.137 7.760 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.968 1.213 9.322 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.618 2.943 9.096 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.705 2.260 10.737 1.00 0.00 H new ATOM 658 N ASN A 26 -3.846 5.529 13.052 1.00 0.00 N ATOM 659 CA ASN A 26 -4.473 6.716 13.644 1.00 0.00 C ATOM 660 C ASN A 26 -5.151 7.565 12.575 1.00 0.00 C ATOM 661 O ASN A 26 -4.723 8.688 12.262 1.00 0.00 O ATOM 662 CB ASN A 26 -3.514 7.556 14.526 1.00 0.00 C ATOM 663 CG ASN A 26 -4.251 8.582 15.402 1.00 0.00 C ATOM 664 OD1 ASN A 26 -4.638 8.274 16.532 1.00 0.00 O ATOM 665 ND2 ASN A 26 -4.455 9.778 14.904 1.00 0.00 N ATOM 0 H ASN A 26 -4.300 4.665 13.348 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.239 6.347 14.326 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.937 6.888 15.165 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.802 8.077 13.886 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.946 10.483 15.455 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.123 10.003 13.966 1.00 0.00 H new ATOM 672 N LEU A 27 -6.117 6.955 11.924 1.00 0.00 N ATOM 673 CA LEU A 27 -6.932 7.590 10.966 1.00 0.00 C ATOM 674 C LEU A 27 -8.394 7.202 11.222 1.00 0.00 C ATOM 675 O LEU A 27 -8.667 6.155 11.836 1.00 0.00 O ATOM 676 CB LEU A 27 -6.440 7.231 9.567 1.00 0.00 C ATOM 677 CG LEU A 27 -6.375 5.750 9.182 1.00 0.00 C ATOM 678 CD1 LEU A 27 -7.647 5.298 8.504 1.00 0.00 C ATOM 679 CD2 LEU A 27 -5.182 5.485 8.300 1.00 0.00 C ATOM 0 H LEU A 27 -6.348 5.972 12.067 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.872 8.675 11.047 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.086 7.734 8.847 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.441 7.651 9.447 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.266 5.173 10.100 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.566 4.242 8.245 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.490 5.442 9.179 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.804 5.883 7.598 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.152 4.428 8.036 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.261 6.083 7.392 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.269 5.752 8.833 1.00 0.00 H new ATOM 691 N ASN A 28 -9.313 8.027 10.785 1.00 0.00 N ATOM 692 CA ASN A 28 -10.749 7.814 11.032 1.00 0.00 C ATOM 693 C ASN A 28 -11.517 7.729 9.724 1.00 0.00 C ATOM 694 O ASN A 28 -10.928 7.730 8.643 1.00 0.00 O ATOM 695 CB ASN A 28 -11.324 8.987 11.855 1.00 0.00 C ATOM 696 CG ASN A 28 -10.777 9.117 13.270 1.00 0.00 C ATOM 697 OD1 ASN A 28 -10.610 10.233 13.770 1.00 0.00 O ATOM 698 ND2 ASN A 28 -10.535 8.018 13.944 1.00 0.00 N ATOM 0 H ASN A 28 -9.105 8.868 10.247 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.856 6.877 11.579 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.127 9.916 11.320 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -12.407 8.874 11.910 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.200 8.073 14.906 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.682 7.108 13.506 1.00 0.00 H new ATOM 705 N ILE A 29 -12.836 7.632 9.826 1.00 0.00 N ATOM 706 CA ILE A 29 -13.699 7.672 8.658 1.00 0.00 C ATOM 707 C ILE A 29 -13.695 9.081 8.066 1.00 0.00 C ATOM 708 O ILE A 29 -13.624 10.084 8.808 1.00 0.00 O ATOM 709 CB ILE A 29 -15.179 7.226 8.985 1.00 0.00 C ATOM 710 CG1 ILE A 29 -15.266 5.721 9.290 1.00 0.00 C ATOM 711 CG2 ILE A 29 -16.180 7.610 7.887 1.00 0.00 C ATOM 712 CD1 ILE A 29 -14.727 4.818 8.195 1.00 0.00 C ATOM 0 H ILE A 29 -13.331 7.525 10.711 1.00 0.00 H new ATOM 0 HA ILE A 29 -13.304 6.960 7.933 1.00 0.00 H new ATOM 0 HB ILE A 29 -15.461 7.778 9.881 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -14.719 5.519 10.211 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -16.308 5.462 9.475 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -17.178 7.276 8.171 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -16.182 8.692 7.759 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -15.892 7.135 6.949 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.830 3.776 8.499 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -15.289 4.985 7.276 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -13.675 5.043 8.023 1.00 0.00 H new ATOM 724 N ASP A 30 -13.696 9.125 6.740 1.00 0.00 N ATOM 725 CA ASP A 30 -13.749 10.335 5.929 1.00 0.00 C ATOM 726 C ASP A 30 -12.416 11.062 6.004 1.00 0.00 C ATOM 727 O ASP A 30 -12.301 12.236 5.704 1.00 0.00 O ATOM 728 CB ASP A 30 -14.952 11.223 6.330 1.00 0.00 C ATOM 729 CG ASP A 30 -15.196 12.393 5.396 1.00 0.00 C ATOM 730 OD1 ASP A 30 -15.692 12.166 4.272 1.00 0.00 O ATOM 731 OD2 ASP A 30 -14.906 13.565 5.775 1.00 0.00 O ATOM 0 H ASP A 30 -13.658 8.278 6.174 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.913 10.067 4.885 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.850 10.606 6.364 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.788 11.604 7.338 1.00 0.00 H new ATOM 736 N ASP A 31 -11.379 10.331 6.347 1.00 0.00 N ATOM 737 CA ASP A 31 -10.084 10.917 6.457 1.00 0.00 C ATOM 738 C ASP A 31 -9.402 10.700 5.131 1.00 0.00 C ATOM 739 O ASP A 31 -9.619 9.669 4.467 1.00 0.00 O ATOM 740 CB ASP A 31 -9.290 10.291 7.606 1.00 0.00 C ATOM 741 CG ASP A 31 -8.214 11.214 8.166 1.00 0.00 C ATOM 742 OD1 ASP A 31 -7.291 11.597 7.434 1.00 0.00 O ATOM 743 OD2 ASP A 31 -8.273 11.555 9.372 1.00 0.00 O ATOM 0 H ASP A 31 -11.418 9.333 6.552 1.00 0.00 H new ATOM 0 HA ASP A 31 -10.154 11.981 6.685 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -9.977 10.017 8.407 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.824 9.370 7.257 1.00 0.00 H new ATOM 748 N GLU A 32 -8.634 11.646 4.744 1.00 0.00 N ATOM 749 CA GLU A 32 -8.014 11.693 3.461 1.00 0.00 C ATOM 750 C GLU A 32 -6.695 10.942 3.502 1.00 0.00 C ATOM 751 O GLU A 32 -5.916 11.117 4.426 1.00 0.00 O ATOM 752 CB GLU A 32 -7.837 13.164 3.102 1.00 0.00 C ATOM 753 CG GLU A 32 -7.149 13.445 1.798 1.00 0.00 C ATOM 754 CD GLU A 32 -7.195 14.911 1.468 1.00 0.00 C ATOM 755 OE1 GLU A 32 -8.177 15.356 0.823 1.00 0.00 O ATOM 756 OE2 GLU A 32 -6.282 15.665 1.869 1.00 0.00 O ATOM 0 H GLU A 32 -8.405 12.447 5.332 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.622 11.209 2.696 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.821 13.633 3.079 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.272 13.647 3.899 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.112 13.113 1.851 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.626 12.874 1.001 1.00 0.00 H new ATOM 763 N VAL A 33 -6.457 10.099 2.520 1.00 0.00 N ATOM 764 CA VAL A 33 -5.262 9.295 2.488 1.00 0.00 C ATOM 765 C VAL A 33 -4.535 9.479 1.173 1.00 0.00 C ATOM 766 O VAL A 33 -5.137 9.886 0.159 1.00 0.00 O ATOM 767 CB VAL A 33 -5.514 7.771 2.749 1.00 0.00 C ATOM 768 CG1 VAL A 33 -6.379 7.574 3.932 1.00 0.00 C ATOM 769 CG2 VAL A 33 -6.129 7.075 1.569 1.00 0.00 C ATOM 0 H VAL A 33 -7.084 9.955 1.728 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.644 9.650 3.312 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.534 7.329 2.928 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.539 6.508 4.092 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.898 8.005 4.810 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.338 8.064 3.767 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.281 6.022 1.806 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.088 7.536 1.334 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.465 7.161 0.709 1.00 0.00 H new ATOM 779 N LYS A 34 -3.272 9.192 1.182 1.00 0.00 N ATOM 780 CA LYS A 34 -2.463 9.325 0.007 1.00 0.00 C ATOM 781 C LYS A 34 -2.221 7.948 -0.601 1.00 0.00 C ATOM 782 O LYS A 34 -1.731 7.028 0.069 1.00 0.00 O ATOM 783 CB LYS A 34 -1.158 10.031 0.366 1.00 0.00 C ATOM 784 CG LYS A 34 -0.378 10.578 -0.806 1.00 0.00 C ATOM 785 CD LYS A 34 0.643 11.622 -0.341 1.00 0.00 C ATOM 786 CE LYS A 34 1.623 11.078 0.694 1.00 0.00 C ATOM 787 NZ LYS A 34 2.533 10.081 0.128 1.00 0.00 N ATOM 0 H LYS A 34 -2.769 8.858 2.004 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.974 9.932 -0.740 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.383 10.852 1.047 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.523 9.331 0.910 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.135 9.764 -1.319 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.062 11.027 -1.526 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.200 11.987 -1.204 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.114 12.476 0.081 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.203 11.902 1.110 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.067 10.632 1.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.000 9.561 0.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.995 9.416 -0.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.252 10.557 -0.453 1.00 0.00 H new ATOM 801 N ILE A 35 -2.602 7.811 -1.840 1.00 0.00 N ATOM 802 CA ILE A 35 -2.495 6.577 -2.566 1.00 0.00 C ATOM 803 C ILE A 35 -1.288 6.683 -3.478 1.00 0.00 C ATOM 804 O ILE A 35 -1.305 7.449 -4.457 1.00 0.00 O ATOM 805 CB ILE A 35 -3.738 6.351 -3.472 1.00 0.00 C ATOM 806 CG1 ILE A 35 -5.057 6.552 -2.714 1.00 0.00 C ATOM 807 CG2 ILE A 35 -3.703 4.977 -4.098 1.00 0.00 C ATOM 808 CD1 ILE A 35 -5.298 5.602 -1.563 1.00 0.00 C ATOM 0 H ILE A 35 -3.005 8.572 -2.386 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.413 5.755 -1.855 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.694 7.104 -4.259 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.084 7.572 -2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.881 6.454 -3.421 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.582 4.841 -4.727 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.803 4.877 -4.705 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.698 4.220 -3.314 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.256 5.831 -1.097 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.310 4.577 -1.934 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.501 5.712 -0.827 1.00 0.00 H new ATOM 820 N ASP A 36 -0.258 5.974 -3.167 1.00 0.00 N ATOM 821 CA ASP A 36 0.936 6.013 -3.982 1.00 0.00 C ATOM 822 C ASP A 36 1.171 4.666 -4.602 1.00 0.00 C ATOM 823 O ASP A 36 0.865 3.642 -4.000 1.00 0.00 O ATOM 824 CB ASP A 36 2.173 6.480 -3.181 1.00 0.00 C ATOM 825 CG ASP A 36 2.110 7.916 -2.750 1.00 0.00 C ATOM 826 OD1 ASP A 36 2.173 8.806 -3.611 1.00 0.00 O ATOM 827 OD2 ASP A 36 2.040 8.172 -1.525 1.00 0.00 O ATOM 0 H ASP A 36 -0.205 5.356 -2.357 1.00 0.00 H new ATOM 0 HA ASP A 36 0.781 6.748 -4.772 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.281 5.850 -2.298 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.065 6.332 -3.790 1.00 0.00 H new ATOM 832 N LEU A 37 1.632 4.649 -5.829 1.00 0.00 N ATOM 833 CA LEU A 37 1.936 3.465 -6.483 1.00 0.00 C ATOM 834 C LEU A 37 3.426 3.303 -6.384 1.00 0.00 C ATOM 835 O LEU A 37 4.194 4.204 -6.762 1.00 0.00 O ATOM 836 CB LEU A 37 1.492 3.573 -7.937 1.00 0.00 C ATOM 837 CG LEU A 37 1.382 2.289 -8.752 1.00 0.00 C ATOM 838 CD1 LEU A 37 2.709 1.611 -8.921 1.00 0.00 C ATOM 839 CD2 LEU A 37 0.364 1.375 -8.141 1.00 0.00 C ATOM 0 H LEU A 37 1.798 5.489 -6.384 1.00 0.00 H new ATOM 0 HA LEU A 37 1.429 2.605 -6.045 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.518 4.062 -7.953 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.190 4.235 -8.450 1.00 0.00 H new ATOM 0 HG LEU A 37 1.047 2.555 -9.754 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.581 0.701 -9.508 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.397 2.281 -9.436 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.115 1.357 -7.942 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.294 0.462 -8.732 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.663 1.127 -7.123 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.606 1.871 -8.124 1.00 0.00 H new ATOM 851 N VAL A 38 3.820 2.180 -5.899 1.00 0.00 N ATOM 852 CA VAL A 38 5.221 1.853 -5.676 1.00 0.00 C ATOM 853 C VAL A 38 5.390 0.362 -5.884 1.00 0.00 C ATOM 854 O VAL A 38 4.565 -0.407 -5.415 1.00 0.00 O ATOM 855 CB VAL A 38 5.696 2.177 -4.217 1.00 0.00 C ATOM 856 CG1 VAL A 38 7.199 2.001 -4.071 1.00 0.00 C ATOM 857 CG2 VAL A 38 5.269 3.563 -3.738 1.00 0.00 C ATOM 0 H VAL A 38 3.179 1.432 -5.634 1.00 0.00 H new ATOM 0 HA VAL A 38 5.814 2.451 -6.368 1.00 0.00 H new ATOM 0 HB VAL A 38 5.194 1.454 -3.574 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.495 2.234 -3.048 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.469 0.970 -4.301 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.713 2.673 -4.759 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.629 3.724 -2.722 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.691 4.322 -4.397 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.181 3.634 -3.753 1.00 0.00 H new ATOM 867 N ASP A 39 6.405 -0.025 -6.651 1.00 0.00 N ATOM 868 CA ASP A 39 6.787 -1.446 -6.893 1.00 0.00 C ATOM 869 C ASP A 39 5.658 -2.193 -7.614 1.00 0.00 C ATOM 870 O ASP A 39 5.575 -3.421 -7.598 1.00 0.00 O ATOM 871 CB ASP A 39 7.172 -2.144 -5.560 1.00 0.00 C ATOM 872 CG ASP A 39 7.860 -3.485 -5.740 1.00 0.00 C ATOM 873 OD1 ASP A 39 8.952 -3.512 -6.341 1.00 0.00 O ATOM 874 OD2 ASP A 39 7.369 -4.523 -5.212 1.00 0.00 O ATOM 0 H ASP A 39 7.007 0.639 -7.139 1.00 0.00 H new ATOM 0 HA ASP A 39 7.663 -1.465 -7.541 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.828 -1.484 -4.993 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.271 -2.287 -4.963 1.00 0.00 H new ATOM 879 N GLY A 40 4.814 -1.432 -8.279 1.00 0.00 N ATOM 880 CA GLY A 40 3.701 -2.006 -8.985 1.00 0.00 C ATOM 881 C GLY A 40 2.574 -2.420 -8.061 1.00 0.00 C ATOM 882 O GLY A 40 1.806 -3.315 -8.388 1.00 0.00 O ATOM 0 H GLY A 40 4.882 -0.416 -8.342 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.325 -1.284 -9.710 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.042 -2.875 -9.548 1.00 0.00 H new ATOM 886 N LYS A 41 2.488 -1.811 -6.896 1.00 0.00 N ATOM 887 CA LYS A 41 1.414 -2.109 -5.973 1.00 0.00 C ATOM 888 C LYS A 41 0.939 -0.844 -5.295 1.00 0.00 C ATOM 889 O LYS A 41 1.633 0.190 -5.343 1.00 0.00 O ATOM 890 CB LYS A 41 1.836 -3.199 -4.964 1.00 0.00 C ATOM 891 CG LYS A 41 3.035 -2.883 -4.099 1.00 0.00 C ATOM 892 CD LYS A 41 3.865 -4.138 -3.886 1.00 0.00 C ATOM 893 CE LYS A 41 5.037 -3.900 -2.959 1.00 0.00 C ATOM 894 NZ LYS A 41 5.939 -5.065 -2.920 1.00 0.00 N ATOM 0 H LYS A 41 3.149 -1.107 -6.567 1.00 0.00 H new ATOM 0 HA LYS A 41 0.570 -2.514 -6.531 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.988 -3.407 -4.311 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.045 -4.115 -5.517 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.642 -2.111 -4.572 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.707 -2.486 -3.138 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.232 -4.924 -3.474 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.232 -4.496 -4.848 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.590 -3.021 -3.289 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.671 -3.688 -1.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.435 -5.090 -2.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.385 -5.937 -3.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.635 -4.991 -3.689 1.00 0.00 H new ATOM 908 N LEU A 42 -0.229 -0.903 -4.693 1.00 0.00 N ATOM 909 CA LEU A 42 -0.799 0.260 -4.057 1.00 0.00 C ATOM 910 C LEU A 42 -0.310 0.379 -2.669 1.00 0.00 C ATOM 911 O LEU A 42 -0.285 -0.572 -1.905 1.00 0.00 O ATOM 912 CB LEU A 42 -2.330 0.278 -4.101 1.00 0.00 C ATOM 913 CG LEU A 42 -2.983 0.504 -5.461 1.00 0.00 C ATOM 914 CD1 LEU A 42 -4.447 0.100 -5.410 1.00 0.00 C ATOM 915 CD2 LEU A 42 -2.895 1.966 -5.902 1.00 0.00 C ATOM 0 H LEU A 42 -0.801 -1.745 -4.632 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.467 1.127 -4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.691 -0.672 -3.706 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.679 1.058 -3.424 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.442 -0.109 -6.182 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.904 0.265 -6.386 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.524 -0.955 -5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.964 0.700 -4.661 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.372 2.082 -6.875 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.402 2.597 -5.172 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.848 2.262 -5.974 1.00 0.00 H new ATOM 927 N ILE A 43 0.103 1.523 -2.370 1.00 0.00 N ATOM 928 CA ILE A 43 0.653 1.834 -1.106 1.00 0.00 C ATOM 929 C ILE A 43 -0.245 2.867 -0.471 1.00 0.00 C ATOM 930 O ILE A 43 -0.581 3.883 -1.094 1.00 0.00 O ATOM 931 CB ILE A 43 2.068 2.385 -1.307 1.00 0.00 C ATOM 932 CG1 ILE A 43 2.931 1.415 -2.132 1.00 0.00 C ATOM 933 CG2 ILE A 43 2.742 2.782 -0.021 1.00 0.00 C ATOM 934 CD1 ILE A 43 3.106 0.011 -1.579 1.00 0.00 C ATOM 0 H ILE A 43 0.074 2.315 -3.013 1.00 0.00 H new ATOM 0 HA ILE A 43 0.717 0.957 -0.462 1.00 0.00 H new ATOM 0 HB ILE A 43 1.960 3.308 -1.877 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.495 1.336 -3.128 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.920 1.858 -2.252 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.740 3.164 -0.236 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.156 3.557 0.473 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.819 1.913 0.633 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.734 -0.570 -2.254 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.578 0.063 -0.598 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.131 -0.468 -1.488 1.00 0.00 H new ATOM 946 N ILE A 44 -0.649 2.602 0.729 1.00 0.00 N ATOM 947 CA ILE A 44 -1.611 3.437 1.415 1.00 0.00 C ATOM 948 C ILE A 44 -0.942 4.106 2.594 1.00 0.00 C ATOM 949 O ILE A 44 -0.678 3.479 3.631 1.00 0.00 O ATOM 950 CB ILE A 44 -2.834 2.613 1.933 1.00 0.00 C ATOM 951 CG1 ILE A 44 -3.459 1.749 0.813 1.00 0.00 C ATOM 952 CG2 ILE A 44 -3.890 3.526 2.564 1.00 0.00 C ATOM 953 CD1 ILE A 44 -3.982 2.520 -0.383 1.00 0.00 C ATOM 0 H ILE A 44 -0.327 1.801 1.272 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.975 4.177 0.702 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.462 1.938 2.703 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.711 1.036 0.466 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.279 1.170 1.238 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.728 2.924 2.915 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.451 4.063 3.405 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.243 4.242 1.821 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.399 1.824 -1.110 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.758 3.214 -0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.166 3.078 -0.842 1.00 0.00 H new ATOM 965 N GLU A 45 -0.668 5.349 2.438 1.00 0.00 N ATOM 966 CA GLU A 45 -0.009 6.123 3.443 1.00 0.00 C ATOM 967 C GLU A 45 -0.986 7.225 3.839 1.00 0.00 C ATOM 968 O GLU A 45 -1.585 7.847 2.961 1.00 0.00 O ATOM 969 CB GLU A 45 1.285 6.678 2.813 1.00 0.00 C ATOM 970 CG GLU A 45 2.209 7.472 3.710 1.00 0.00 C ATOM 971 CD GLU A 45 3.484 7.824 2.992 1.00 0.00 C ATOM 972 OE1 GLU A 45 3.502 8.789 2.214 1.00 0.00 O ATOM 973 OE2 GLU A 45 4.497 7.131 3.175 1.00 0.00 O ATOM 0 H GLU A 45 -0.897 5.874 1.594 1.00 0.00 H new ATOM 0 HA GLU A 45 0.266 5.558 4.333 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.849 5.839 2.406 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.005 7.312 1.971 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.709 8.383 4.039 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.439 6.894 4.605 1.00 0.00 H new ATOM 980 N PRO A 46 -1.223 7.476 5.134 1.00 0.00 N ATOM 981 CA PRO A 46 -2.199 8.438 5.531 1.00 0.00 C ATOM 982 C PRO A 46 -1.678 9.839 5.357 1.00 0.00 C ATOM 983 O PRO A 46 -0.479 10.055 5.100 1.00 0.00 O ATOM 984 CB PRO A 46 -2.472 8.134 7.007 1.00 0.00 C ATOM 985 CG PRO A 46 -1.690 6.919 7.300 1.00 0.00 C ATOM 986 CD PRO A 46 -0.564 6.914 6.296 1.00 0.00 C ATOM 0 HA PRO A 46 -3.104 8.376 4.926 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.165 8.964 7.644 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.535 7.971 7.186 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.306 6.935 8.320 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.305 6.024 7.205 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.282 7.519 6.623 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.184 5.910 6.108 1.00 0.00 H new ATOM 994 N VAL A 47 -2.530 10.776 5.498 1.00 0.00 N ATOM 995 CA VAL A 47 -2.131 12.138 5.313 1.00 0.00 C ATOM 996 C VAL A 47 -2.024 12.799 6.645 1.00 0.00 C ATOM 997 O VAL A 47 -3.030 12.951 7.368 1.00 0.00 O ATOM 998 CB VAL A 47 -3.071 12.985 4.404 1.00 0.00 C ATOM 999 CG1 VAL A 47 -2.456 14.327 4.133 1.00 0.00 C ATOM 1000 CG2 VAL A 47 -3.330 12.323 3.093 1.00 0.00 C ATOM 0 H VAL A 47 -3.511 10.640 5.741 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.173 12.096 4.794 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.015 13.090 4.939 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.122 14.910 3.497 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.301 14.853 5.075 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.498 14.193 3.630 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.990 12.950 2.493 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.387 12.179 2.565 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.803 11.355 3.261 1.00 0.00 H new ATOM 1351 N ILE B 2 -1.876 9.752 -5.922 1.00 0.00 N ATOM 1352 CA ILE B 2 -3.289 10.068 -5.997 1.00 0.00 C ATOM 1353 C ILE B 2 -3.818 10.289 -4.580 1.00 0.00 C ATOM 1354 O ILE B 2 -3.339 9.673 -3.644 1.00 0.00 O ATOM 1355 CB ILE B 2 -4.066 8.886 -6.693 1.00 0.00 C ATOM 1356 CG1 ILE B 2 -3.508 8.640 -8.113 1.00 0.00 C ATOM 1357 CG2 ILE B 2 -5.571 9.152 -6.758 1.00 0.00 C ATOM 1358 CD1 ILE B 2 -4.153 7.480 -8.854 1.00 0.00 C ATOM 0 HA ILE B 2 -3.438 10.972 -6.587 1.00 0.00 H new ATOM 0 HB ILE B 2 -3.914 7.993 -6.086 1.00 0.00 H new ATOM 0 HG12 ILE B 2 -3.638 9.548 -8.702 1.00 0.00 H new ATOM 0 HG13 ILE B 2 -2.436 8.457 -8.041 1.00 0.00 H new ATOM 0 HG21 ILE B 2 -6.068 8.313 -7.245 1.00 0.00 H new ATOM 0 HG22 ILE B 2 -5.964 9.270 -5.748 1.00 0.00 H new ATOM 0 HG23 ILE B 2 -5.755 10.063 -7.328 1.00 0.00 H new ATOM 0 HD11 ILE B 2 -3.700 7.381 -9.840 1.00 0.00 H new ATOM 0 HD12 ILE B 2 -4.001 6.559 -8.291 1.00 0.00 H new ATOM 0 HD13 ILE B 2 -5.221 7.667 -8.963 1.00 0.00 H new ATOM 1370 N HIS B 3 -4.754 11.185 -4.413 1.00 0.00 N ATOM 1371 CA HIS B 3 -5.338 11.407 -3.108 1.00 0.00 C ATOM 1372 C HIS B 3 -6.723 10.794 -3.057 1.00 0.00 C ATOM 1373 O HIS B 3 -7.475 10.854 -4.036 1.00 0.00 O ATOM 1374 CB HIS B 3 -5.341 12.909 -2.704 1.00 0.00 C ATOM 1375 CG HIS B 3 -6.077 13.849 -3.630 1.00 0.00 C ATOM 1376 ND1 HIS B 3 -5.477 14.533 -4.668 1.00 0.00 N ATOM 1377 CD2 HIS B 3 -7.377 14.236 -3.633 1.00 0.00 C ATOM 1378 CE1 HIS B 3 -6.401 15.295 -5.253 1.00 0.00 C ATOM 1379 NE2 HIS B 3 -7.586 15.156 -4.665 1.00 0.00 N ATOM 0 H HIS B 3 -5.130 11.773 -5.157 1.00 0.00 H new ATOM 0 HA HIS B 3 -4.713 10.910 -2.366 1.00 0.00 H new ATOM 0 HB2 HIS B 3 -5.779 12.995 -1.710 1.00 0.00 H new ATOM 0 HB3 HIS B 3 -4.307 13.245 -2.627 1.00 0.00 H new ATOM 0 HD2 HIS B 3 -8.133 13.888 -2.945 1.00 0.00 H new ATOM 0 HE1 HIS B 3 -6.212 15.942 -6.096 1.00 0.00 H new ATOM 0 HE2 HIS B 3 -8.459 15.621 -4.913 1.00 0.00 H new ATOM 1387 N SER B 4 -7.030 10.168 -1.968 1.00 0.00 N ATOM 1388 CA SER B 4 -8.299 9.520 -1.773 1.00 0.00 C ATOM 1389 C SER B 4 -8.715 9.627 -0.319 1.00 0.00 C ATOM 1390 O SER B 4 -8.139 10.409 0.427 1.00 0.00 O ATOM 1391 CB SER B 4 -8.208 8.070 -2.217 1.00 0.00 C ATOM 1392 OG SER B 4 -8.100 7.983 -3.625 1.00 0.00 O ATOM 0 H SER B 4 -6.399 10.087 -1.171 1.00 0.00 H new ATOM 0 HA SER B 4 -9.060 10.013 -2.378 1.00 0.00 H new ATOM 0 HB2 SER B 4 -7.344 7.596 -1.751 1.00 0.00 H new ATOM 0 HB3 SER B 4 -9.090 7.526 -1.881 1.00 0.00 H new ATOM 0 HG SER B 4 -8.041 7.042 -3.891 1.00 0.00 H new ATOM 1398 N SER B 5 -9.690 8.855 0.088 1.00 0.00 N ATOM 1399 CA SER B 5 -10.207 8.943 1.417 1.00 0.00 C ATOM 1400 C SER B 5 -10.836 7.627 1.845 1.00 0.00 C ATOM 1401 O SER B 5 -11.254 6.819 0.999 1.00 0.00 O ATOM 1402 CB SER B 5 -11.225 10.080 1.459 1.00 0.00 C ATOM 1403 OG SER B 5 -12.098 10.004 0.329 1.00 0.00 O ATOM 0 H SER B 5 -10.143 8.152 -0.496 1.00 0.00 H new ATOM 0 HA SER B 5 -9.397 9.149 2.117 1.00 0.00 H new ATOM 0 HB2 SER B 5 -11.805 10.024 2.380 1.00 0.00 H new ATOM 0 HB3 SER B 5 -10.709 11.040 1.465 1.00 0.00 H new ATOM 0 HG SER B 5 -12.488 9.106 0.277 1.00 0.00 H new ATOM 1409 N VAL B 6 -10.858 7.400 3.137 1.00 0.00 N ATOM 1410 CA VAL B 6 -11.479 6.228 3.717 1.00 0.00 C ATOM 1411 C VAL B 6 -12.904 6.558 4.027 1.00 0.00 C ATOM 1412 O VAL B 6 -13.163 7.447 4.803 1.00 0.00 O ATOM 1413 CB VAL B 6 -10.777 5.800 5.030 1.00 0.00 C ATOM 1414 CG1 VAL B 6 -11.458 4.588 5.653 1.00 0.00 C ATOM 1415 CG2 VAL B 6 -9.335 5.503 4.762 1.00 0.00 C ATOM 0 H VAL B 6 -10.442 8.029 3.824 1.00 0.00 H new ATOM 0 HA VAL B 6 -11.402 5.407 3.004 1.00 0.00 H new ATOM 0 HB VAL B 6 -10.850 6.624 5.739 1.00 0.00 H new ATOM 0 HG11 VAL B 6 -10.941 4.313 6.573 1.00 0.00 H new ATOM 0 HG12 VAL B 6 -12.496 4.830 5.879 1.00 0.00 H new ATOM 0 HG13 VAL B 6 -11.424 3.752 4.954 1.00 0.00 H new ATOM 0 HG21 VAL B 6 -8.847 5.203 5.689 1.00 0.00 H new ATOM 0 HG22 VAL B 6 -9.259 4.695 4.034 1.00 0.00 H new ATOM 0 HG23 VAL B 6 -8.847 6.394 4.367 1.00 0.00 H new ATOM 1425 N LYS B 7 -13.813 5.880 3.432 1.00 0.00 N ATOM 1426 CA LYS B 7 -15.191 6.150 3.675 1.00 0.00 C ATOM 1427 C LYS B 7 -15.790 4.941 4.385 1.00 0.00 C ATOM 1428 O LYS B 7 -15.145 3.889 4.477 1.00 0.00 O ATOM 1429 CB LYS B 7 -15.891 6.431 2.349 1.00 0.00 C ATOM 1430 CG LYS B 7 -15.316 7.589 1.543 1.00 0.00 C ATOM 1431 CD LYS B 7 -15.596 8.929 2.186 1.00 0.00 C ATOM 1432 CE LYS B 7 -15.063 10.054 1.314 1.00 0.00 C ATOM 1433 NZ LYS B 7 -15.487 11.396 1.753 1.00 0.00 N ATOM 0 H LYS B 7 -13.632 5.128 2.768 1.00 0.00 H new ATOM 0 HA LYS B 7 -15.318 7.029 4.307 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -15.852 5.529 1.738 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -16.943 6.635 2.548 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -14.239 7.457 1.438 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -15.738 7.575 0.538 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -16.669 9.052 2.334 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -15.131 8.972 3.171 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -13.974 10.011 1.307 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -15.395 9.895 0.288 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -14.710 12.071 1.606 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -16.315 11.696 1.200 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -15.736 11.369 2.762 1.00 0.00 H new ATOM 1447 N ARG B 8 -16.973 5.072 4.901 1.00 0.00 N ATOM 1448 CA ARG B 8 -17.584 3.975 5.604 1.00 0.00 C ATOM 1449 C ARG B 8 -18.615 3.270 4.738 1.00 0.00 C ATOM 1450 O ARG B 8 -19.572 3.879 4.273 1.00 0.00 O ATOM 1451 CB ARG B 8 -18.217 4.425 6.912 1.00 0.00 C ATOM 1452 CG ARG B 8 -18.853 3.286 7.678 1.00 0.00 C ATOM 1453 CD ARG B 8 -19.428 3.743 8.985 1.00 0.00 C ATOM 1454 NE ARG B 8 -18.399 4.114 9.961 1.00 0.00 N ATOM 1455 CZ ARG B 8 -18.523 5.078 10.875 1.00 0.00 C ATOM 1456 NH1 ARG B 8 -19.501 5.965 10.786 1.00 0.00 N ATOM 1457 NH2 ARG B 8 -17.629 5.176 11.846 1.00 0.00 N ATOM 0 H ARG B 8 -17.536 5.921 4.852 1.00 0.00 H new ATOM 0 HA ARG B 8 -16.788 3.269 5.840 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -17.457 4.896 7.535 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -18.972 5.183 6.703 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -19.640 2.836 7.073 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -18.109 2.511 7.860 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -20.081 4.598 8.810 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -20.047 2.949 9.401 1.00 0.00 H new ATOM 0 HE ARG B 8 -17.521 3.595 9.940 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -20.167 5.915 10.015 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -19.589 6.699 11.489 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -16.852 4.517 11.892 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -17.717 5.910 12.548 1.00 0.00 H new ATOM 1471 N TRP B 9 -18.399 2.007 4.533 1.00 0.00 N ATOM 1472 CA TRP B 9 -19.281 1.144 3.780 1.00 0.00 C ATOM 1473 C TRP B 9 -19.946 0.214 4.776 1.00 0.00 C ATOM 1474 O TRP B 9 -19.330 -0.748 5.243 1.00 0.00 O ATOM 1475 CB TRP B 9 -18.438 0.364 2.760 1.00 0.00 C ATOM 1476 CG TRP B 9 -19.156 -0.563 1.822 1.00 0.00 C ATOM 1477 CD1 TRP B 9 -20.491 -0.654 1.588 1.00 0.00 C ATOM 1478 CD2 TRP B 9 -18.543 -1.520 0.941 1.00 0.00 C ATOM 1479 NE1 TRP B 9 -20.727 -1.576 0.626 1.00 0.00 N ATOM 1480 CE2 TRP B 9 -19.577 -2.135 0.232 1.00 0.00 C ATOM 1481 CE3 TRP B 9 -17.225 -1.923 0.680 1.00 0.00 C ATOM 1482 CZ2 TRP B 9 -19.362 -3.112 -0.705 1.00 0.00 C ATOM 1483 CZ3 TRP B 9 -17.019 -2.892 -0.257 1.00 0.00 C ATOM 1484 CH2 TRP B 9 -18.094 -3.479 -0.936 1.00 0.00 C ATOM 0 H TRP B 9 -17.577 1.524 4.895 1.00 0.00 H new ATOM 0 HA TRP B 9 -20.045 1.700 3.235 1.00 0.00 H new ATOM 0 HB2 TRP B 9 -17.886 1.087 2.159 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -17.702 -0.221 3.311 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -21.251 -0.077 2.094 1.00 0.00 H new ATOM 0 HE1 TRP B 9 -21.648 -1.811 0.255 1.00 0.00 H new ATOM 0 HE3 TRP B 9 -16.395 -1.477 1.208 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -20.183 -3.569 -1.237 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -16.012 -3.212 -0.479 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -17.896 -4.249 -1.667 1.00 0.00 H new ATOM 1495 N GLY B 10 -21.155 0.556 5.174 1.00 0.00 N ATOM 1496 CA GLY B 10 -21.853 -0.222 6.159 1.00 0.00 C ATOM 1497 C GLY B 10 -21.228 -0.002 7.509 1.00 0.00 C ATOM 1498 O GLY B 10 -21.235 1.119 8.032 1.00 0.00 O ATOM 0 H GLY B 10 -21.668 1.367 4.827 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -22.905 0.062 6.183 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -21.814 -1.279 5.897 1.00 0.00 H new ATOM 1502 N ASN B 11 -20.691 -1.046 8.074 1.00 0.00 N ATOM 1503 CA ASN B 11 -19.926 -0.945 9.311 1.00 0.00 C ATOM 1504 C ASN B 11 -18.452 -1.275 9.048 1.00 0.00 C ATOM 1505 O ASN B 11 -17.735 -1.738 9.947 1.00 0.00 O ATOM 1506 CB ASN B 11 -20.502 -1.889 10.381 1.00 0.00 C ATOM 1507 CG ASN B 11 -21.875 -1.462 10.875 1.00 0.00 C ATOM 1508 OD1 ASN B 11 -22.202 -0.272 10.916 1.00 0.00 O ATOM 1509 ND2 ASN B 11 -22.697 -2.417 11.231 1.00 0.00 N ATOM 0 H ASN B 11 -20.763 -1.993 7.702 1.00 0.00 H new ATOM 0 HA ASN B 11 -19.997 0.078 9.681 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -20.567 -2.897 9.971 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -19.815 -1.933 11.226 1.00 0.00 H new ATOM 0 HD21 ASN B 11 -23.637 -2.187 11.553 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -22.397 -3.391 11.186 1.00 0.00 H new ATOM 1516 N SER B 12 -17.976 -0.984 7.849 1.00 0.00 N ATOM 1517 CA SER B 12 -16.657 -1.301 7.473 1.00 0.00 C ATOM 1518 C SER B 12 -16.020 -0.096 6.794 1.00 0.00 C ATOM 1519 O SER B 12 -16.623 0.522 5.928 1.00 0.00 O ATOM 1520 CB SER B 12 -16.687 -2.497 6.513 1.00 0.00 C ATOM 1521 OG SER B 12 -15.399 -2.816 6.006 1.00 0.00 O ATOM 0 H SER B 12 -18.518 -0.518 7.122 1.00 0.00 H new ATOM 0 HA SER B 12 -16.068 -1.560 8.353 1.00 0.00 H new ATOM 0 HB2 SER B 12 -17.096 -3.365 7.030 1.00 0.00 H new ATOM 0 HB3 SER B 12 -17.357 -2.276 5.682 1.00 0.00 H new ATOM 0 HG SER B 12 -15.165 -3.733 6.261 1.00 0.00 H new ATOM 1527 N PRO B 13 -14.840 0.296 7.229 1.00 0.00 N ATOM 1528 CA PRO B 13 -14.072 1.328 6.556 1.00 0.00 C ATOM 1529 C PRO B 13 -13.537 0.787 5.236 1.00 0.00 C ATOM 1530 O PRO B 13 -12.920 -0.296 5.188 1.00 0.00 O ATOM 1531 CB PRO B 13 -12.924 1.622 7.519 1.00 0.00 C ATOM 1532 CG PRO B 13 -12.812 0.410 8.374 1.00 0.00 C ATOM 1533 CD PRO B 13 -14.172 -0.212 8.430 1.00 0.00 C ATOM 0 HA PRO B 13 -14.657 2.218 6.324 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -11.996 1.810 6.979 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -13.130 2.509 8.118 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -12.085 -0.289 7.960 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -12.467 0.674 9.374 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -14.114 -1.300 8.425 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -14.706 0.075 9.336 1.00 0.00 H new ATOM 1541 N ALA B 14 -13.795 1.486 4.181 1.00 0.00 N ATOM 1542 CA ALA B 14 -13.384 1.054 2.890 1.00 0.00 C ATOM 1543 C ALA B 14 -12.794 2.203 2.121 1.00 0.00 C ATOM 1544 O ALA B 14 -13.265 3.347 2.222 1.00 0.00 O ATOM 1545 CB ALA B 14 -14.561 0.449 2.140 1.00 0.00 C ATOM 0 H ALA B 14 -14.297 2.374 4.191 1.00 0.00 H new ATOM 0 HA ALA B 14 -12.617 0.287 3.001 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -14.234 0.122 1.153 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -14.946 -0.405 2.696 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -15.347 1.196 2.033 1.00 0.00 H new ATOM 1551 N VAL B 15 -11.764 1.928 1.387 1.00 0.00 N ATOM 1552 CA VAL B 15 -11.147 2.939 0.579 1.00 0.00 C ATOM 1553 C VAL B 15 -11.422 2.626 -0.881 1.00 0.00 C ATOM 1554 O VAL B 15 -11.453 1.452 -1.277 1.00 0.00 O ATOM 1555 CB VAL B 15 -9.610 3.108 0.870 1.00 0.00 C ATOM 1556 CG1 VAL B 15 -8.809 1.869 0.509 1.00 0.00 C ATOM 1557 CG2 VAL B 15 -9.039 4.346 0.184 1.00 0.00 C ATOM 0 H VAL B 15 -11.328 1.008 1.328 1.00 0.00 H new ATOM 0 HA VAL B 15 -11.585 3.904 0.835 1.00 0.00 H new ATOM 0 HB VAL B 15 -9.517 3.246 1.947 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -7.755 2.040 0.730 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -9.169 1.021 1.091 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -8.927 1.656 -0.553 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -7.976 4.429 0.409 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -9.177 4.261 -0.894 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -9.556 5.234 0.547 1.00 0.00 H new ATOM 1567 N ARG B 16 -11.696 3.653 -1.642 1.00 0.00 N ATOM 1568 CA ARG B 16 -12.015 3.521 -3.031 1.00 0.00 C ATOM 1569 C ARG B 16 -10.776 3.470 -3.894 1.00 0.00 C ATOM 1570 O ARG B 16 -9.937 4.365 -3.846 1.00 0.00 O ATOM 1571 CB ARG B 16 -12.945 4.645 -3.453 1.00 0.00 C ATOM 1572 CG ARG B 16 -14.326 4.454 -2.891 1.00 0.00 C ATOM 1573 CD ARG B 16 -15.278 5.550 -3.292 1.00 0.00 C ATOM 1574 NE ARG B 16 -16.666 5.208 -2.921 1.00 0.00 N ATOM 1575 CZ ARG B 16 -17.635 6.084 -2.604 1.00 0.00 C ATOM 1576 NH1 ARG B 16 -17.398 7.391 -2.625 1.00 0.00 N ATOM 1577 NH2 ARG B 16 -18.849 5.646 -2.296 1.00 0.00 N ATOM 0 H ARG B 16 -11.703 4.616 -1.306 1.00 0.00 H new ATOM 0 HA ARG B 16 -12.528 2.570 -3.176 1.00 0.00 H new ATOM 0 HB2 ARG B 16 -12.542 5.599 -3.115 1.00 0.00 H new ATOM 0 HB3 ARG B 16 -12.996 4.688 -4.541 1.00 0.00 H new ATOM 0 HG2 ARG B 16 -14.721 3.495 -3.228 1.00 0.00 H new ATOM 0 HG3 ARG B 16 -14.268 4.410 -1.803 1.00 0.00 H new ATOM 0 HD2 ARG B 16 -14.988 6.483 -2.809 1.00 0.00 H new ATOM 0 HD3 ARG B 16 -15.216 5.715 -4.368 1.00 0.00 H new ATOM 0 HE ARG B 16 -16.911 4.218 -2.904 1.00 0.00 H new ATOM 0 HH11 ARG B 16 -16.474 7.738 -2.883 1.00 0.00 H new ATOM 0 HH12 ARG B 16 -18.140 8.048 -2.383 1.00 0.00 H new ATOM 0 HH21 ARG B 16 -19.046 4.645 -2.300 1.00 0.00 H new ATOM 0 HH22 ARG B 16 -19.585 6.310 -2.055 1.00 0.00 H new ATOM 1591 N ILE B 17 -10.665 2.410 -4.656 1.00 0.00 N ATOM 1592 CA ILE B 17 -9.565 2.218 -5.569 1.00 0.00 C ATOM 1593 C ILE B 17 -10.018 2.657 -6.963 1.00 0.00 C ATOM 1594 O ILE B 17 -11.134 2.351 -7.367 1.00 0.00 O ATOM 1595 CB ILE B 17 -9.070 0.698 -5.607 1.00 0.00 C ATOM 1596 CG1 ILE B 17 -8.281 0.282 -4.360 1.00 0.00 C ATOM 1597 CG2 ILE B 17 -8.259 0.356 -6.828 1.00 0.00 C ATOM 1598 CD1 ILE B 17 -9.099 0.045 -3.158 1.00 0.00 C ATOM 0 H ILE B 17 -11.343 1.648 -4.660 1.00 0.00 H new ATOM 0 HA ILE B 17 -8.720 2.816 -5.229 1.00 0.00 H new ATOM 0 HB ILE B 17 -10.001 0.132 -5.639 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -7.724 -0.627 -4.587 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -7.549 1.058 -4.136 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -7.959 -0.691 -6.784 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -8.859 0.524 -7.722 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -7.371 0.987 -6.863 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -8.453 -0.244 -2.329 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -9.636 0.957 -2.898 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -9.814 -0.753 -3.356 1.00 0.00 H new ATOM 1610 N PRO B 18 -9.205 3.431 -7.693 1.00 0.00 N ATOM 1611 CA PRO B 18 -9.538 3.798 -9.050 1.00 0.00 C ATOM 1612 C PRO B 18 -9.502 2.562 -9.949 1.00 0.00 C ATOM 1613 O PRO B 18 -8.549 1.763 -9.886 1.00 0.00 O ATOM 1614 CB PRO B 18 -8.444 4.787 -9.478 1.00 0.00 C ATOM 1615 CG PRO B 18 -7.653 5.092 -8.251 1.00 0.00 C ATOM 1616 CD PRO B 18 -7.934 4.009 -7.246 1.00 0.00 C ATOM 0 HA PRO B 18 -10.536 4.230 -9.125 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -7.810 4.355 -10.252 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -8.881 5.694 -9.894 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -6.589 5.133 -8.482 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -7.929 6.067 -7.850 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -7.140 3.263 -7.231 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -8.012 4.412 -6.236 1.00 0.00 H new ATOM 1624 N ALA B 19 -10.513 2.407 -10.795 1.00 0.00 N ATOM 1625 CA ALA B 19 -10.612 1.248 -11.691 1.00 0.00 C ATOM 1626 C ALA B 19 -9.416 1.176 -12.633 1.00 0.00 C ATOM 1627 O ALA B 19 -8.994 0.106 -13.042 1.00 0.00 O ATOM 1628 CB ALA B 19 -11.913 1.273 -12.469 1.00 0.00 C ATOM 0 H ALA B 19 -11.283 3.070 -10.884 1.00 0.00 H new ATOM 0 HA ALA B 19 -10.605 0.350 -11.074 1.00 0.00 H new ATOM 0 HB1 ALA B 19 -11.961 0.404 -13.125 1.00 0.00 H new ATOM 0 HB2 ALA B 19 -12.753 1.251 -11.774 1.00 0.00 H new ATOM 0 HB3 ALA B 19 -11.962 2.183 -13.068 1.00 0.00 H new ATOM 1634 N THR B 20 -8.857 2.329 -12.923 1.00 0.00 N ATOM 1635 CA THR B 20 -7.676 2.460 -13.740 1.00 0.00 C ATOM 1636 C THR B 20 -6.495 1.685 -13.102 1.00 0.00 C ATOM 1637 O THR B 20 -5.709 1.043 -13.798 1.00 0.00 O ATOM 1638 CB THR B 20 -7.350 3.951 -13.836 1.00 0.00 C ATOM 1639 OG1 THR B 20 -8.557 4.632 -14.216 1.00 0.00 O ATOM 1640 CG2 THR B 20 -6.270 4.225 -14.865 1.00 0.00 C ATOM 0 H THR B 20 -9.221 3.221 -12.589 1.00 0.00 H new ATOM 0 HA THR B 20 -7.845 2.043 -14.733 1.00 0.00 H new ATOM 0 HB THR B 20 -6.977 4.301 -12.874 1.00 0.00 H new ATOM 0 HG1 THR B 20 -8.382 5.594 -14.285 1.00 0.00 H new ATOM 0 HG21 THR B 20 -6.067 5.295 -14.903 1.00 0.00 H new ATOM 0 HG22 THR B 20 -5.360 3.693 -14.588 1.00 0.00 H new ATOM 0 HG23 THR B 20 -6.606 3.884 -15.844 1.00 0.00 H new ATOM 1648 N LEU B 21 -6.434 1.700 -11.776 1.00 0.00 N ATOM 1649 CA LEU B 21 -5.382 1.020 -11.035 1.00 0.00 C ATOM 1650 C LEU B 21 -5.628 -0.439 -10.972 1.00 0.00 C ATOM 1651 O LEU B 21 -4.701 -1.215 -10.996 1.00 0.00 O ATOM 1652 CB LEU B 21 -5.227 1.591 -9.644 1.00 0.00 C ATOM 1653 CG LEU B 21 -4.318 2.801 -9.513 1.00 0.00 C ATOM 1654 CD1 LEU B 21 -2.863 2.387 -9.673 1.00 0.00 C ATOM 1655 CD2 LEU B 21 -4.650 3.860 -10.541 1.00 0.00 C ATOM 0 H LEU B 21 -7.112 2.183 -11.186 1.00 0.00 H new ATOM 0 HA LEU B 21 -4.449 1.186 -11.573 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -6.215 1.863 -9.273 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -4.847 0.805 -8.991 1.00 0.00 H new ATOM 0 HG LEU B 21 -4.476 3.221 -8.520 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -2.223 3.264 -9.577 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -2.604 1.662 -8.901 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -2.718 1.938 -10.656 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -3.980 4.710 -10.417 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -4.529 3.446 -11.542 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -5.681 4.188 -10.406 1.00 0.00 H new ATOM 1667 N MET B 22 -6.875 -0.804 -10.880 1.00 0.00 N ATOM 1668 CA MET B 22 -7.274 -2.233 -10.944 1.00 0.00 C ATOM 1669 C MET B 22 -6.689 -2.855 -12.184 1.00 0.00 C ATOM 1670 O MET B 22 -6.069 -3.909 -12.141 1.00 0.00 O ATOM 1671 CB MET B 22 -8.773 -2.414 -11.054 1.00 0.00 C ATOM 1672 CG MET B 22 -9.614 -1.862 -9.945 1.00 0.00 C ATOM 1673 SD MET B 22 -11.362 -2.088 -10.315 1.00 0.00 S ATOM 1674 CE MET B 22 -11.460 -3.875 -10.405 1.00 0.00 C ATOM 0 H MET B 22 -7.652 -0.154 -10.760 1.00 0.00 H new ATOM 0 HA MET B 22 -6.915 -2.696 -10.025 1.00 0.00 H new ATOM 0 HB2 MET B 22 -9.101 -1.955 -11.987 1.00 0.00 H new ATOM 0 HB3 MET B 22 -8.979 -3.481 -11.135 1.00 0.00 H new ATOM 0 HG2 MET B 22 -9.366 -2.361 -9.008 1.00 0.00 H new ATOM 0 HG3 MET B 22 -9.398 -0.802 -9.808 1.00 0.00 H new ATOM 0 HE1 MET B 22 -12.482 -4.194 -10.202 1.00 0.00 H new ATOM 0 HE2 MET B 22 -11.168 -4.206 -11.402 1.00 0.00 H new ATOM 0 HE3 MET B 22 -10.789 -4.314 -9.666 1.00 0.00 H new ATOM 1684 N GLN B 23 -6.876 -2.160 -13.277 1.00 0.00 N ATOM 1685 CA GLN B 23 -6.402 -2.576 -14.573 1.00 0.00 C ATOM 1686 C GLN B 23 -4.891 -2.516 -14.638 1.00 0.00 C ATOM 1687 O GLN B 23 -4.259 -3.277 -15.373 1.00 0.00 O ATOM 1688 CB GLN B 23 -6.978 -1.668 -15.628 1.00 0.00 C ATOM 1689 CG GLN B 23 -8.484 -1.626 -15.615 1.00 0.00 C ATOM 1690 CD GLN B 23 -9.062 -0.699 -16.660 1.00 0.00 C ATOM 1691 OE1 GLN B 23 -8.440 0.297 -17.046 1.00 0.00 O ATOM 1692 NE2 GLN B 23 -10.246 -0.989 -17.108 1.00 0.00 N ATOM 0 H GLN B 23 -7.373 -1.269 -13.291 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.719 -3.605 -14.745 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -6.591 -0.660 -15.481 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -6.638 -2.000 -16.609 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -8.871 -2.632 -15.777 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -8.824 -1.309 -14.629 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -10.731 -1.819 -16.767 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -10.691 -0.387 -17.800 1.00 0.00 H new ATOM 1701 N ALA B 24 -4.317 -1.622 -13.866 1.00 0.00 N ATOM 1702 CA ALA B 24 -2.872 -1.443 -13.864 1.00 0.00 C ATOM 1703 C ALA B 24 -2.186 -2.546 -13.073 1.00 0.00 C ATOM 1704 O ALA B 24 -1.069 -2.957 -13.393 1.00 0.00 O ATOM 1705 CB ALA B 24 -2.493 -0.078 -13.310 1.00 0.00 C ATOM 0 H ALA B 24 -4.822 -1.005 -13.230 1.00 0.00 H new ATOM 0 HA ALA B 24 -2.530 -1.501 -14.897 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -1.408 0.030 -13.319 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -2.941 0.702 -13.926 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -2.858 0.014 -12.287 1.00 0.00 H new ATOM 1711 N LEU B 25 -2.864 -3.039 -12.061 1.00 0.00 N ATOM 1712 CA LEU B 25 -2.321 -4.067 -11.198 1.00 0.00 C ATOM 1713 C LEU B 25 -2.747 -5.438 -11.691 1.00 0.00 C ATOM 1714 O LEU B 25 -2.119 -6.450 -11.387 1.00 0.00 O ATOM 1715 CB LEU B 25 -2.831 -3.840 -9.798 1.00 0.00 C ATOM 1716 CG LEU B 25 -2.548 -2.460 -9.218 1.00 0.00 C ATOM 1717 CD1 LEU B 25 -3.166 -2.335 -7.871 1.00 0.00 C ATOM 1718 CD2 LEU B 25 -1.063 -2.180 -9.144 1.00 0.00 C ATOM 0 H LEU B 25 -3.807 -2.740 -11.812 1.00 0.00 H new ATOM 0 HA LEU B 25 -1.232 -4.020 -11.207 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -3.908 -4.005 -9.790 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -2.389 -4.590 -9.142 1.00 0.00 H new ATOM 0 HG LEU B 25 -2.990 -1.720 -9.885 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -2.958 -1.345 -7.466 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -4.244 -2.475 -7.951 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -2.750 -3.094 -7.208 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -0.900 -1.187 -8.725 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -0.584 -2.925 -8.509 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -0.634 -2.227 -10.145 1.00 0.00 H new ATOM 1730 N ASN B 26 -3.817 -5.427 -12.466 1.00 0.00 N ATOM 1731 CA ASN B 26 -4.456 -6.598 -13.067 1.00 0.00 C ATOM 1732 C ASN B 26 -5.156 -7.432 -12.010 1.00 0.00 C ATOM 1733 O ASN B 26 -4.750 -8.558 -11.687 1.00 0.00 O ATOM 1734 CB ASN B 26 -3.507 -7.445 -13.939 1.00 0.00 C ATOM 1735 CG ASN B 26 -4.237 -8.504 -14.763 1.00 0.00 C ATOM 1736 OD1 ASN B 26 -4.681 -8.233 -15.875 1.00 0.00 O ATOM 1737 ND2 ASN B 26 -4.340 -9.704 -14.251 1.00 0.00 N ATOM 0 H ASN B 26 -4.293 -4.558 -12.709 1.00 0.00 H new ATOM 0 HA ASN B 26 -5.209 -6.218 -13.757 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -2.956 -6.787 -14.611 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -2.773 -7.934 -13.298 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -4.800 -10.446 -14.779 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -3.961 -9.897 -13.324 1.00 0.00 H new ATOM 1744 N LEU B 27 -6.110 -6.811 -11.368 1.00 0.00 N ATOM 1745 CA LEU B 27 -6.931 -7.434 -10.419 1.00 0.00 C ATOM 1746 C LEU B 27 -8.371 -7.020 -10.685 1.00 0.00 C ATOM 1747 O LEU B 27 -8.608 -5.971 -11.298 1.00 0.00 O ATOM 1748 CB LEU B 27 -6.443 -7.090 -9.022 1.00 0.00 C ATOM 1749 CG LEU B 27 -6.412 -5.622 -8.613 1.00 0.00 C ATOM 1750 CD1 LEU B 27 -7.679 -5.235 -7.893 1.00 0.00 C ATOM 1751 CD2 LEU B 27 -5.203 -5.339 -7.759 1.00 0.00 C ATOM 0 H LEU B 27 -6.327 -5.825 -11.511 1.00 0.00 H new ATOM 0 HA LEU B 27 -6.886 -8.520 -10.497 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -7.073 -7.622 -8.309 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -5.434 -7.487 -8.914 1.00 0.00 H new ATOM 0 HG LEU B 27 -6.344 -5.017 -9.517 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -7.631 -4.183 -7.612 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -8.534 -5.397 -8.549 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -7.789 -5.845 -6.996 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -5.196 -4.287 -7.476 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -5.239 -5.956 -6.861 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -4.298 -5.569 -8.322 1.00 0.00 H new ATOM 1763 N ASN B 28 -9.308 -7.807 -10.239 1.00 0.00 N ATOM 1764 CA ASN B 28 -10.723 -7.573 -10.541 1.00 0.00 C ATOM 1765 C ASN B 28 -11.544 -7.494 -9.257 1.00 0.00 C ATOM 1766 O ASN B 28 -10.987 -7.509 -8.154 1.00 0.00 O ATOM 1767 CB ASN B 28 -11.276 -8.719 -11.418 1.00 0.00 C ATOM 1768 CG ASN B 28 -10.584 -8.886 -12.774 1.00 0.00 C ATOM 1769 OD1 ASN B 28 -10.461 -10.007 -13.278 1.00 0.00 O ATOM 1770 ND2 ASN B 28 -10.172 -7.808 -13.389 1.00 0.00 N ATOM 0 H ASN B 28 -9.132 -8.627 -9.659 1.00 0.00 H new ATOM 0 HA ASN B 28 -10.801 -6.626 -11.076 1.00 0.00 H new ATOM 0 HB2 ASN B 28 -11.189 -9.654 -10.865 1.00 0.00 H new ATOM 0 HB3 ASN B 28 -12.339 -8.546 -11.588 1.00 0.00 H new ATOM 0 HD21 ASN B 28 -9.736 -7.880 -14.308 1.00 0.00 H new ATOM 0 HD22 ASN B 28 -10.286 -6.895 -12.949 1.00 0.00 H new ATOM 1777 N ILE B 29 -12.861 -7.383 -9.400 1.00 0.00 N ATOM 1778 CA ILE B 29 -13.761 -7.398 -8.257 1.00 0.00 C ATOM 1779 C ILE B 29 -13.827 -8.806 -7.694 1.00 0.00 C ATOM 1780 O ILE B 29 -13.847 -9.779 -8.455 1.00 0.00 O ATOM 1781 CB ILE B 29 -15.218 -6.907 -8.616 1.00 0.00 C ATOM 1782 CG1 ILE B 29 -15.260 -5.403 -8.927 1.00 0.00 C ATOM 1783 CG2 ILE B 29 -16.249 -7.265 -7.538 1.00 0.00 C ATOM 1784 CD1 ILE B 29 -14.730 -4.513 -7.818 1.00 0.00 C ATOM 0 H ILE B 29 -13.328 -7.281 -10.301 1.00 0.00 H new ATOM 0 HA ILE B 29 -13.362 -6.702 -7.520 1.00 0.00 H new ATOM 0 HB ILE B 29 -15.496 -7.447 -9.521 1.00 0.00 H new ATOM 0 HG12 ILE B 29 -14.682 -5.216 -9.832 1.00 0.00 H new ATOM 0 HG13 ILE B 29 -16.290 -5.119 -9.142 1.00 0.00 H new ATOM 0 HG21 ILE B 29 -17.232 -6.902 -7.840 1.00 0.00 H new ATOM 0 HG22 ILE B 29 -16.284 -8.347 -7.413 1.00 0.00 H new ATOM 0 HG23 ILE B 29 -15.965 -6.800 -6.594 1.00 0.00 H new ATOM 0 HD11 ILE B 29 -14.798 -3.469 -8.125 1.00 0.00 H new ATOM 0 HD12 ILE B 29 -15.322 -4.665 -6.915 1.00 0.00 H new ATOM 0 HD13 ILE B 29 -13.689 -4.764 -7.616 1.00 0.00 H new ATOM 1796 N ASP B 30 -13.817 -8.881 -6.368 1.00 0.00 N ATOM 1797 CA ASP B 30 -13.919 -10.110 -5.582 1.00 0.00 C ATOM 1798 C ASP B 30 -12.610 -10.872 -5.652 1.00 0.00 C ATOM 1799 O ASP B 30 -12.541 -12.079 -5.415 1.00 0.00 O ATOM 1800 CB ASP B 30 -15.140 -10.968 -6.014 1.00 0.00 C ATOM 1801 CG ASP B 30 -15.488 -12.064 -5.025 1.00 0.00 C ATOM 1802 OD1 ASP B 30 -15.973 -11.740 -3.912 1.00 0.00 O ATOM 1803 OD2 ASP B 30 -15.298 -13.260 -5.329 1.00 0.00 O ATOM 0 H ASP B 30 -13.734 -8.050 -5.783 1.00 0.00 H new ATOM 0 HA ASP B 30 -14.097 -9.850 -4.538 1.00 0.00 H new ATOM 0 HB2 ASP B 30 -16.005 -10.317 -6.142 1.00 0.00 H new ATOM 0 HB3 ASP B 30 -14.933 -11.418 -6.985 1.00 0.00 H new ATOM 1808 N ASP B 31 -11.539 -10.151 -5.919 1.00 0.00 N ATOM 1809 CA ASP B 31 -10.266 -10.772 -5.985 1.00 0.00 C ATOM 1810 C ASP B 31 -9.576 -10.540 -4.676 1.00 0.00 C ATOM 1811 O ASP B 31 -9.750 -9.477 -4.044 1.00 0.00 O ATOM 1812 CB ASP B 31 -9.423 -10.265 -7.150 1.00 0.00 C ATOM 1813 CG ASP B 31 -8.354 -11.273 -7.536 1.00 0.00 C ATOM 1814 OD1 ASP B 31 -8.706 -12.354 -8.075 1.00 0.00 O ATOM 1815 OD2 ASP B 31 -7.172 -11.048 -7.289 1.00 0.00 O ATOM 0 H ASP B 31 -11.541 -9.145 -6.090 1.00 0.00 H new ATOM 0 HA ASP B 31 -10.399 -11.839 -6.165 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -10.066 -10.067 -8.008 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -8.954 -9.320 -6.878 1.00 0.00 H new ATOM 1820 N GLU B 32 -8.863 -11.514 -4.259 1.00 0.00 N ATOM 1821 CA GLU B 32 -8.204 -11.534 -3.002 1.00 0.00 C ATOM 1822 C GLU B 32 -6.883 -10.782 -3.089 1.00 0.00 C ATOM 1823 O GLU B 32 -6.133 -10.938 -4.057 1.00 0.00 O ATOM 1824 CB GLU B 32 -8.014 -12.998 -2.603 1.00 0.00 C ATOM 1825 CG GLU B 32 -7.231 -13.228 -1.338 1.00 0.00 C ATOM 1826 CD GLU B 32 -7.144 -14.685 -0.984 1.00 0.00 C ATOM 1827 OE1 GLU B 32 -6.320 -15.423 -1.580 1.00 0.00 O ATOM 1828 OE2 GLU B 32 -7.907 -15.137 -0.113 1.00 0.00 O ATOM 0 H GLU B 32 -8.713 -12.361 -4.807 1.00 0.00 H new ATOM 0 HA GLU B 32 -8.796 -11.030 -2.238 1.00 0.00 H new ATOM 0 HB2 GLU B 32 -8.997 -13.456 -2.490 1.00 0.00 H new ATOM 0 HB3 GLU B 32 -7.512 -13.517 -3.420 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -6.226 -12.823 -1.456 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -7.700 -12.684 -0.518 1.00 0.00 H new ATOM 1835 N VAL B 33 -6.615 -9.956 -2.095 1.00 0.00 N ATOM 1836 CA VAL B 33 -5.409 -9.172 -2.060 1.00 0.00 C ATOM 1837 C VAL B 33 -4.722 -9.347 -0.702 1.00 0.00 C ATOM 1838 O VAL B 33 -5.377 -9.704 0.299 1.00 0.00 O ATOM 1839 CB VAL B 33 -5.638 -7.644 -2.377 1.00 0.00 C ATOM 1840 CG1 VAL B 33 -6.522 -7.456 -3.578 1.00 0.00 C ATOM 1841 CG2 VAL B 33 -6.218 -6.890 -1.211 1.00 0.00 C ATOM 0 H VAL B 33 -7.230 -9.815 -1.294 1.00 0.00 H new ATOM 0 HA VAL B 33 -4.765 -9.545 -2.856 1.00 0.00 H new ATOM 0 HB VAL B 33 -4.650 -7.235 -2.588 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -6.658 -6.391 -3.767 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -6.059 -7.922 -4.447 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -7.492 -7.918 -3.392 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -6.354 -5.844 -1.486 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -7.181 -7.323 -0.941 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -5.539 -6.956 -0.361 1.00 0.00 H new ATOM 1851 N LYS B 34 -3.432 -9.129 -0.664 1.00 0.00 N ATOM 1852 CA LYS B 34 -2.678 -9.288 0.546 1.00 0.00 C ATOM 1853 C LYS B 34 -2.416 -7.914 1.161 1.00 0.00 C ATOM 1854 O LYS B 34 -1.885 -7.010 0.502 1.00 0.00 O ATOM 1855 CB LYS B 34 -1.381 -10.033 0.222 1.00 0.00 C ATOM 1856 CG LYS B 34 -0.649 -10.622 1.404 1.00 0.00 C ATOM 1857 CD LYS B 34 0.350 -11.694 0.944 1.00 0.00 C ATOM 1858 CE LYS B 34 1.358 -11.175 -0.077 1.00 0.00 C ATOM 1859 NZ LYS B 34 2.273 -10.190 0.499 1.00 0.00 N ATOM 0 H LYS B 34 -2.879 -8.837 -1.470 1.00 0.00 H new ATOM 0 HA LYS B 34 -3.232 -9.875 1.279 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -1.611 -10.837 -0.477 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -0.709 -9.347 -0.293 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -0.122 -9.834 1.942 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -1.365 -11.059 2.100 1.00 0.00 H new ATOM 0 HD2 LYS B 34 0.886 -12.079 1.812 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -0.198 -12.531 0.511 1.00 0.00 H new ATOM 0 HE2 LYS B 34 1.932 -12.012 -0.476 1.00 0.00 H new ATOM 0 HE3 LYS B 34 0.825 -10.726 -0.915 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 2.726 -9.648 -0.265 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 1.742 -9.542 1.116 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 3.003 -10.678 1.056 1.00 0.00 H new ATOM 1873 N ILE B 35 -2.831 -7.761 2.393 1.00 0.00 N ATOM 1874 CA ILE B 35 -2.713 -6.526 3.126 1.00 0.00 C ATOM 1875 C ILE B 35 -1.531 -6.659 4.061 1.00 0.00 C ATOM 1876 O ILE B 35 -1.594 -7.402 5.058 1.00 0.00 O ATOM 1877 CB ILE B 35 -3.976 -6.272 4.009 1.00 0.00 C ATOM 1878 CG1 ILE B 35 -5.283 -6.476 3.233 1.00 0.00 C ATOM 1879 CG2 ILE B 35 -3.945 -4.885 4.617 1.00 0.00 C ATOM 1880 CD1 ILE B 35 -5.498 -5.551 2.057 1.00 0.00 C ATOM 0 H ILE B 35 -3.271 -8.510 2.927 1.00 0.00 H new ATOM 0 HA ILE B 35 -2.598 -5.705 2.418 1.00 0.00 H new ATOM 0 HB ILE B 35 -3.948 -7.012 4.809 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -5.314 -7.504 2.873 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -6.117 -6.355 3.924 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -4.836 -4.735 5.227 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -3.057 -4.781 5.240 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -3.920 -4.140 3.822 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -6.451 -5.782 1.582 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -5.507 -4.518 2.404 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -4.691 -5.685 1.336 1.00 0.00 H new ATOM 1892 N ASP B 36 -0.470 -5.998 3.752 1.00 0.00 N ATOM 1893 CA ASP B 36 0.715 -6.074 4.575 1.00 0.00 C ATOM 1894 C ASP B 36 0.991 -4.730 5.198 1.00 0.00 C ATOM 1895 O ASP B 36 0.696 -3.693 4.602 1.00 0.00 O ATOM 1896 CB ASP B 36 1.940 -6.576 3.773 1.00 0.00 C ATOM 1897 CG ASP B 36 1.820 -8.001 3.310 1.00 0.00 C ATOM 1898 OD1 ASP B 36 1.776 -8.916 4.152 1.00 0.00 O ATOM 1899 OD2 ASP B 36 1.775 -8.225 2.080 1.00 0.00 O ATOM 0 H ASP B 36 -0.386 -5.393 2.935 1.00 0.00 H new ATOM 0 HA ASP B 36 0.534 -6.802 5.366 1.00 0.00 H new ATOM 0 HB2 ASP B 36 2.082 -5.933 2.905 1.00 0.00 H new ATOM 0 HB3 ASP B 36 2.832 -6.479 4.392 1.00 0.00 H new ATOM 1904 N LEU B 37 1.479 -4.723 6.412 1.00 0.00 N ATOM 1905 CA LEU B 37 1.811 -3.551 7.071 1.00 0.00 C ATOM 1906 C LEU B 37 3.312 -3.424 7.008 1.00 0.00 C ATOM 1907 O LEU B 37 4.053 -4.336 7.408 1.00 0.00 O ATOM 1908 CB LEU B 37 1.331 -3.649 8.512 1.00 0.00 C ATOM 1909 CG LEU B 37 1.238 -2.366 9.330 1.00 0.00 C ATOM 1910 CD1 LEU B 37 2.580 -1.729 9.542 1.00 0.00 C ATOM 1911 CD2 LEU B 37 0.263 -1.416 8.700 1.00 0.00 C ATOM 0 H LEU B 37 1.649 -5.569 6.956 1.00 0.00 H new ATOM 0 HA LEU B 37 1.345 -2.677 6.617 1.00 0.00 H new ATOM 0 HB2 LEU B 37 0.343 -4.110 8.503 1.00 0.00 H new ATOM 0 HB3 LEU B 37 1.997 -4.332 9.039 1.00 0.00 H new ATOM 0 HG LEU B 37 0.867 -2.629 10.321 1.00 0.00 H new ATOM 0 HD11 LEU B 37 2.462 -0.819 10.130 1.00 0.00 H new ATOM 0 HD12 LEU B 37 3.232 -2.422 10.074 1.00 0.00 H new ATOM 0 HD13 LEU B 37 3.022 -1.483 8.577 1.00 0.00 H new ATOM 0 HD21 LEU B 37 0.207 -0.504 9.295 1.00 0.00 H new ATOM 0 HD22 LEU B 37 0.594 -1.171 7.691 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -0.722 -1.881 8.656 1.00 0.00 H new ATOM 1923 N VAL B 38 3.734 -2.304 6.538 1.00 0.00 N ATOM 1924 CA VAL B 38 5.141 -1.993 6.348 1.00 0.00 C ATOM 1925 C VAL B 38 5.316 -0.499 6.569 1.00 0.00 C ATOM 1926 O VAL B 38 4.492 0.282 6.104 1.00 0.00 O ATOM 1927 CB VAL B 38 5.632 -2.320 4.890 1.00 0.00 C ATOM 1928 CG1 VAL B 38 7.122 -2.064 4.733 1.00 0.00 C ATOM 1929 CG2 VAL B 38 5.293 -3.741 4.440 1.00 0.00 C ATOM 0 H VAL B 38 3.109 -1.547 6.262 1.00 0.00 H new ATOM 0 HA VAL B 38 5.722 -2.595 7.047 1.00 0.00 H new ATOM 0 HB VAL B 38 5.083 -1.640 4.239 1.00 0.00 H new ATOM 0 HG11 VAL B 38 7.426 -2.301 3.713 1.00 0.00 H new ATOM 0 HG12 VAL B 38 7.335 -1.015 4.941 1.00 0.00 H new ATOM 0 HG13 VAL B 38 7.675 -2.692 5.432 1.00 0.00 H new ATOM 0 HG21 VAL B 38 5.660 -3.899 3.426 1.00 0.00 H new ATOM 0 HG22 VAL B 38 5.764 -4.458 5.112 1.00 0.00 H new ATOM 0 HG23 VAL B 38 4.212 -3.881 4.460 1.00 0.00 H new ATOM 1939 N ASP B 39 6.334 -0.119 7.339 1.00 0.00 N ATOM 1940 CA ASP B 39 6.721 1.298 7.597 1.00 0.00 C ATOM 1941 C ASP B 39 5.588 2.077 8.292 1.00 0.00 C ATOM 1942 O ASP B 39 5.545 3.313 8.297 1.00 0.00 O ATOM 1943 CB ASP B 39 7.163 1.989 6.278 1.00 0.00 C ATOM 1944 CG ASP B 39 7.787 3.356 6.471 1.00 0.00 C ATOM 1945 OD1 ASP B 39 8.885 3.442 7.086 1.00 0.00 O ATOM 1946 OD2 ASP B 39 7.232 4.371 5.975 1.00 0.00 O ATOM 0 H ASP B 39 6.936 -0.789 7.818 1.00 0.00 H new ATOM 0 HA ASP B 39 7.571 1.298 8.280 1.00 0.00 H new ATOM 0 HB2 ASP B 39 7.878 1.345 5.766 1.00 0.00 H new ATOM 0 HB3 ASP B 39 6.296 2.087 5.624 1.00 0.00 H new ATOM 1951 N GLY B 40 4.710 1.344 8.937 1.00 0.00 N ATOM 1952 CA GLY B 40 3.601 1.951 9.620 1.00 0.00 C ATOM 1953 C GLY B 40 2.514 2.414 8.670 1.00 0.00 C ATOM 1954 O GLY B 40 1.787 3.366 8.975 1.00 0.00 O ATOM 0 H GLY B 40 4.746 0.327 9.001 1.00 0.00 H new ATOM 0 HA2 GLY B 40 3.180 1.237 10.328 1.00 0.00 H new ATOM 0 HA3 GLY B 40 3.958 2.802 10.200 1.00 0.00 H new ATOM 1958 N LYS B 41 2.420 1.783 7.507 1.00 0.00 N ATOM 1959 CA LYS B 41 1.378 2.103 6.559 1.00 0.00 C ATOM 1960 C LYS B 41 0.879 0.843 5.887 1.00 0.00 C ATOM 1961 O LYS B 41 1.543 -0.209 5.954 1.00 0.00 O ATOM 1962 CB LYS B 41 1.855 3.163 5.546 1.00 0.00 C ATOM 1963 CG LYS B 41 3.057 2.787 4.701 1.00 0.00 C ATOM 1964 CD LYS B 41 3.911 4.018 4.445 1.00 0.00 C ATOM 1965 CE LYS B 41 5.111 3.730 3.565 1.00 0.00 C ATOM 1966 NZ LYS B 41 6.001 4.901 3.480 1.00 0.00 N ATOM 0 H LYS B 41 3.057 1.047 7.203 1.00 0.00 H new ATOM 0 HA LYS B 41 0.536 2.544 7.093 1.00 0.00 H new ATOM 0 HB2 LYS B 41 1.026 3.396 4.878 1.00 0.00 H new ATOM 0 HB3 LYS B 41 2.092 4.076 6.092 1.00 0.00 H new ATOM 0 HG2 LYS B 41 3.646 2.024 5.209 1.00 0.00 H new ATOM 0 HG3 LYS B 41 2.728 2.358 3.755 1.00 0.00 H new ATOM 0 HD2 LYS B 41 3.299 4.788 3.975 1.00 0.00 H new ATOM 0 HD3 LYS B 41 4.254 4.421 5.398 1.00 0.00 H new ATOM 0 HE2 LYS B 41 5.662 2.879 3.964 1.00 0.00 H new ATOM 0 HE3 LYS B 41 4.775 3.452 2.566 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 6.608 4.816 2.640 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 5.429 5.767 3.408 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 6.595 4.948 4.332 1.00 0.00 H new ATOM 1980 N LEU B 42 -0.276 0.928 5.268 1.00 0.00 N ATOM 1981 CA LEU B 42 -0.875 -0.216 4.634 1.00 0.00 C ATOM 1982 C LEU B 42 -0.364 -0.378 3.260 1.00 0.00 C ATOM 1983 O LEU B 42 -0.314 0.557 2.475 1.00 0.00 O ATOM 1984 CB LEU B 42 -2.396 -0.164 4.650 1.00 0.00 C ATOM 1985 CG LEU B 42 -3.037 -0.443 5.990 1.00 0.00 C ATOM 1986 CD1 LEU B 42 -4.516 -0.106 5.956 1.00 0.00 C ATOM 1987 CD2 LEU B 42 -2.849 -1.901 6.380 1.00 0.00 C ATOM 0 H LEU B 42 -0.821 1.787 5.192 1.00 0.00 H new ATOM 0 HA LEU B 42 -0.588 -1.090 5.218 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -2.713 0.823 4.312 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -2.776 -0.886 3.927 1.00 0.00 H new ATOM 0 HG LEU B 42 -2.550 0.187 6.734 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -4.959 -0.314 6.930 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -4.643 0.950 5.717 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -5.010 -0.712 5.196 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -3.317 -2.082 7.347 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -3.310 -2.541 5.628 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -1.784 -2.126 6.444 1.00 0.00 H new ATOM 1999 N ILE B 43 0.048 -1.533 2.990 1.00 0.00 N ATOM 2000 CA ILE B 43 0.598 -1.867 1.733 1.00 0.00 C ATOM 2001 C ILE B 43 -0.329 -2.873 1.080 1.00 0.00 C ATOM 2002 O ILE B 43 -0.721 -3.869 1.701 1.00 0.00 O ATOM 2003 CB ILE B 43 1.996 -2.466 1.930 1.00 0.00 C ATOM 2004 CG1 ILE B 43 2.909 -1.525 2.725 1.00 0.00 C ATOM 2005 CG2 ILE B 43 2.643 -2.893 0.639 1.00 0.00 C ATOM 2006 CD1 ILE B 43 3.059 -0.115 2.188 1.00 0.00 C ATOM 0 H ILE B 43 0.018 -2.310 3.650 1.00 0.00 H new ATOM 0 HA ILE B 43 0.694 -0.985 1.099 1.00 0.00 H new ATOM 0 HB ILE B 43 1.853 -3.373 2.518 1.00 0.00 H new ATOM 0 HG12 ILE B 43 2.530 -1.463 3.745 1.00 0.00 H new ATOM 0 HG13 ILE B 43 3.900 -1.976 2.780 1.00 0.00 H new ATOM 0 HG21 ILE B 43 3.629 -3.308 0.846 1.00 0.00 H new ATOM 0 HG22 ILE B 43 2.025 -3.650 0.155 1.00 0.00 H new ATOM 0 HG23 ILE B 43 2.744 -2.031 -0.020 1.00 0.00 H new ATOM 0 HD11 ILE B 43 3.728 0.452 2.836 1.00 0.00 H new ATOM 0 HD12 ILE B 43 3.474 -0.152 1.181 1.00 0.00 H new ATOM 0 HD13 ILE B 43 2.083 0.370 2.161 1.00 0.00 H new ATOM 2018 N ILE B 44 -0.693 -2.604 -0.137 1.00 0.00 N ATOM 2019 CA ILE B 44 -1.660 -3.417 -0.847 1.00 0.00 C ATOM 2020 C ILE B 44 -0.975 -4.102 -2.013 1.00 0.00 C ATOM 2021 O ILE B 44 -0.682 -3.479 -3.042 1.00 0.00 O ATOM 2022 CB ILE B 44 -2.847 -2.560 -1.390 1.00 0.00 C ATOM 2023 CG1 ILE B 44 -3.495 -1.707 -0.276 1.00 0.00 C ATOM 2024 CG2 ILE B 44 -3.901 -3.437 -2.075 1.00 0.00 C ATOM 2025 CD1 ILE B 44 -4.078 -2.495 0.884 1.00 0.00 C ATOM 0 H ILE B 44 -0.333 -1.816 -0.675 1.00 0.00 H new ATOM 0 HA ILE B 44 -2.060 -4.151 -0.148 1.00 0.00 H new ATOM 0 HB ILE B 44 -2.432 -1.879 -2.134 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -2.746 -1.017 0.114 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -4.287 -1.102 -0.718 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -4.714 -2.810 -2.442 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -3.446 -3.967 -2.912 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -4.294 -4.159 -1.359 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -4.508 -1.807 1.612 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -4.854 -3.165 0.515 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -3.290 -3.079 1.359 1.00 0.00 H new ATOM 2037 N GLU B 45 -0.726 -5.354 -1.854 1.00 0.00 N ATOM 2038 CA GLU B 45 -0.055 -6.142 -2.850 1.00 0.00 C ATOM 2039 C GLU B 45 -1.042 -7.224 -3.265 1.00 0.00 C ATOM 2040 O GLU B 45 -1.656 -7.848 -2.398 1.00 0.00 O ATOM 2041 CB GLU B 45 1.221 -6.720 -2.196 1.00 0.00 C ATOM 2042 CG GLU B 45 2.138 -7.559 -3.062 1.00 0.00 C ATOM 2043 CD GLU B 45 3.414 -7.906 -2.325 1.00 0.00 C ATOM 2044 OE1 GLU B 45 3.400 -8.815 -1.459 1.00 0.00 O ATOM 2045 OE2 GLU B 45 4.453 -7.253 -2.559 1.00 0.00 O ATOM 0 H GLU B 45 -0.984 -5.877 -1.017 1.00 0.00 H new ATOM 0 HA GLU B 45 0.249 -5.581 -3.734 1.00 0.00 H new ATOM 0 HB2 GLU B 45 1.802 -5.887 -1.801 1.00 0.00 H new ATOM 0 HB3 GLU B 45 0.916 -7.328 -1.344 1.00 0.00 H new ATOM 0 HG2 GLU B 45 1.626 -8.474 -3.360 1.00 0.00 H new ATOM 0 HG3 GLU B 45 2.378 -7.016 -3.976 1.00 0.00 H new ATOM 2052 N PRO B 46 -1.269 -7.452 -4.563 1.00 0.00 N ATOM 2053 CA PRO B 46 -2.255 -8.393 -4.983 1.00 0.00 C ATOM 2054 C PRO B 46 -1.770 -9.810 -4.810 1.00 0.00 C ATOM 2055 O PRO B 46 -0.568 -10.060 -4.577 1.00 0.00 O ATOM 2056 CB PRO B 46 -2.496 -8.075 -6.457 1.00 0.00 C ATOM 2057 CG PRO B 46 -1.698 -6.872 -6.729 1.00 0.00 C ATOM 2058 CD PRO B 46 -0.587 -6.886 -5.710 1.00 0.00 C ATOM 0 HA PRO B 46 -3.167 -8.316 -4.390 1.00 0.00 H new ATOM 0 HB2 PRO B 46 -2.187 -8.904 -7.094 1.00 0.00 H new ATOM 0 HB3 PRO B 46 -3.553 -7.898 -6.654 1.00 0.00 H new ATOM 0 HG2 PRO B 46 -1.300 -6.886 -7.744 1.00 0.00 H new ATOM 0 HG3 PRO B 46 -2.304 -5.970 -6.637 1.00 0.00 H new ATOM 0 HD2 PRO B 46 0.258 -7.496 -6.030 1.00 0.00 H new ATOM 0 HD3 PRO B 46 -0.200 -5.887 -5.508 1.00 0.00 H new ATOM 2066 N VAL B 47 -2.652 -10.724 -4.951 1.00 0.00 N ATOM 2067 CA VAL B 47 -2.295 -12.094 -4.750 1.00 0.00 C ATOM 2068 C VAL B 47 -2.175 -12.748 -6.079 1.00 0.00 C ATOM 2069 O VAL B 47 -3.162 -12.886 -6.816 1.00 0.00 O ATOM 2070 CB VAL B 47 -3.293 -12.915 -3.878 1.00 0.00 C ATOM 2071 CG1 VAL B 47 -2.745 -14.284 -3.599 1.00 0.00 C ATOM 2072 CG2 VAL B 47 -3.566 -12.254 -2.573 1.00 0.00 C ATOM 0 H VAL B 47 -3.627 -10.560 -5.204 1.00 0.00 H new ATOM 0 HA VAL B 47 -1.355 -12.084 -4.198 1.00 0.00 H new ATOM 0 HB VAL B 47 -4.221 -12.981 -4.446 1.00 0.00 H new ATOM 0 HG11 VAL B 47 -3.455 -14.843 -2.989 1.00 0.00 H new ATOM 0 HG12 VAL B 47 -2.582 -14.810 -4.540 1.00 0.00 H new ATOM 0 HG13 VAL B 47 -1.799 -14.195 -3.065 1.00 0.00 H new ATOM 0 HG21 VAL B 47 -4.266 -12.860 -1.998 1.00 0.00 H new ATOM 0 HG22 VAL B 47 -2.635 -12.149 -2.017 1.00 0.00 H new ATOM 0 HG23 VAL B 47 -3.998 -11.268 -2.748 1.00 0.00 H new