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= -0.301 X(o=-0.3,f=-0.31) USER MOD Single : A 4 SER OG : rot 8:sc= 0.321 USER MOD Single : A 5 SER OG : rot -170:sc= -2.86! USER MOD Single : A 7 LYS NZ :NH3+ -165:sc= 1.17 (180deg=0.949) USER MOD Single : A 11 ASN : amide:sc= -0.222 X(o=-0.22,f=-0.6) USER MOD Single : A 12 SER OG : rot 110:sc= -0.115 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0642 USER MOD Single : A 22 MET CE :methyl -160:sc= -0.513 (180deg=-1.34!) USER MOD Single : A 23 GLN : amide:sc= -0.0632 K(o=-0.063,f=-0.63) USER MOD Single : A 26 ASN : amide:sc= -0.0144 K(o=-0.014,f=-0.74) USER MOD Single : A 28 ASN : amide:sc= -0.74 K(o=-0.74,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -159:sc= 1.26 (180deg=1.1) USER MOD Single : A 41 LYS NZ :NH3+ -172:sc= 2.34 (180deg=1.94) USER MOD Single : B 3 HIS : no HD1:sc= -0.631 X(o=-0.63,f=-0.29) USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 29:sc= -2.96! USER MOD Single : B 7 LYS NZ :NH3+ -173:sc= 1.18 (180deg=0.965) USER MOD Single : B 11 ASN : amide:sc= -0.152 X(o=-0.15,f=-0.31) USER MOD Single : B 12 SER OG : rot 120:sc= 0 USER MOD Single : B 20 THR OG1 : rot 180:sc= 0.0103 USER MOD Single : B 22 MET CE :methyl -162:sc= -0.735 (180deg=-1.36) USER MOD Single : B 23 GLN : amide:sc= -0.104 K(o=-0.1,f=-0.7) USER MOD Single : B 26 ASN : amide:sc= -0.0138 K(o=-0.014,f=-0.96) USER MOD Single : B 28 ASN : amide:sc= -0.585 K(o=-0.59,f=0) USER MOD Single : B 34 LYS NZ :NH3+ -174:sc= 1.25 (180deg=1.11) USER MOD Single : B 41 LYS NZ :NH3+ -163:sc= 1.73 (180deg=1.25) USER MOD ----------------------------------------------------------------- ATOM 279 N ILE A 2 -2.284 -10.070 5.643 1.00 0.00 N ATOM 280 CA ILE A 2 -3.710 -10.193 5.895 1.00 0.00 C ATOM 281 C ILE A 2 -4.415 -10.315 4.554 1.00 0.00 C ATOM 282 O ILE A 2 -4.285 -9.437 3.713 1.00 0.00 O ATOM 283 CB ILE A 2 -4.267 -8.965 6.677 1.00 0.00 C ATOM 284 CG1 ILE A 2 -3.529 -8.807 8.017 1.00 0.00 C ATOM 285 CG2 ILE A 2 -5.776 -9.105 6.905 1.00 0.00 C ATOM 286 CD1 ILE A 2 -3.918 -7.569 8.800 1.00 0.00 C ATOM 0 HA ILE A 2 -3.888 -11.074 6.511 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.097 -8.070 6.079 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.722 -9.687 8.631 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.456 -8.780 7.827 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -6.143 -8.237 7.452 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.285 -9.169 5.943 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.975 -10.008 7.482 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -3.352 -7.534 9.731 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -3.698 -6.680 8.208 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -4.984 -7.601 9.025 1.00 0.00 H new ATOM 298 N HIS A 3 -5.109 -11.405 4.336 1.00 0.00 N ATOM 299 CA HIS A 3 -5.770 -11.622 3.068 1.00 0.00 C ATOM 300 C HIS A 3 -7.175 -11.075 3.097 1.00 0.00 C ATOM 301 O HIS A 3 -7.896 -11.219 4.083 1.00 0.00 O ATOM 302 CB HIS A 3 -5.769 -13.108 2.673 1.00 0.00 C ATOM 303 CG HIS A 3 -4.394 -13.670 2.456 1.00 0.00 C ATOM 304 ND1 HIS A 3 -3.744 -14.490 3.351 1.00 0.00 N ATOM 305 CD2 HIS A 3 -3.542 -13.505 1.416 1.00 0.00 C ATOM 306 CE1 HIS A 3 -2.548 -14.788 2.846 1.00 0.00 C ATOM 307 NE2 HIS A 3 -2.369 -14.217 1.666 1.00 0.00 N ATOM 0 H HIS A 3 -5.232 -12.155 5.016 1.00 0.00 H new ATOM 0 HA HIS A 3 -5.206 -11.082 2.307 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -6.269 -13.683 3.452 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.352 -13.233 1.761 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -3.740 -12.915 0.533 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -1.818 -15.415 3.337 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -1.547 -14.283 1.066 1.00 0.00 H new ATOM 315 N SER A 4 -7.520 -10.402 2.065 1.00 0.00 N ATOM 316 CA SER A 4 -8.825 -9.841 1.875 1.00 0.00 C ATOM 317 C SER A 4 -9.120 -9.819 0.395 1.00 0.00 C ATOM 318 O SER A 4 -8.407 -10.431 -0.372 1.00 0.00 O ATOM 319 CB SER A 4 -8.855 -8.433 2.427 1.00 0.00 C ATOM 320 OG SER A 4 -8.798 -8.422 3.840 1.00 0.00 O ATOM 0 H SER A 4 -6.883 -10.213 1.291 1.00 0.00 H new ATOM 0 HA SER A 4 -9.574 -10.438 2.395 1.00 0.00 H new ATOM 0 HB2 SER A 4 -8.015 -7.867 2.025 1.00 0.00 H new ATOM 0 HB3 SER A 4 -9.765 -7.932 2.096 1.00 0.00 H new ATOM 0 HG SER A 4 -8.631 -9.330 4.168 1.00 0.00 H new ATOM 326 N SER A 5 -10.133 -9.110 -0.003 1.00 0.00 N ATOM 327 CA SER A 5 -10.494 -9.029 -1.371 1.00 0.00 C ATOM 328 C SER A 5 -11.033 -7.641 -1.709 1.00 0.00 C ATOM 329 O SER A 5 -11.451 -6.881 -0.822 1.00 0.00 O ATOM 330 CB SER A 5 -11.476 -10.162 -1.730 1.00 0.00 C ATOM 331 OG SER A 5 -12.495 -10.295 -0.752 1.00 0.00 O ATOM 0 H SER A 5 -10.731 -8.571 0.623 1.00 0.00 H new ATOM 0 HA SER A 5 -9.607 -9.170 -1.988 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.927 -9.960 -2.702 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.932 -11.102 -1.820 1.00 0.00 H new ATOM 0 HG SER A 5 -13.006 -11.114 -0.921 1.00 0.00 H new ATOM 337 N VAL A 6 -10.976 -7.314 -2.964 1.00 0.00 N ATOM 338 CA VAL A 6 -11.427 -6.034 -3.480 1.00 0.00 C ATOM 339 C VAL A 6 -12.835 -6.206 -3.917 1.00 0.00 C ATOM 340 O VAL A 6 -13.104 -6.976 -4.814 1.00 0.00 O ATOM 341 CB VAL A 6 -10.594 -5.597 -4.702 1.00 0.00 C ATOM 342 CG1 VAL A 6 -11.034 -4.229 -5.211 1.00 0.00 C ATOM 343 CG2 VAL A 6 -9.140 -5.583 -4.345 1.00 0.00 C ATOM 0 H VAL A 6 -10.608 -7.936 -3.684 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.323 -5.276 -2.704 1.00 0.00 H new ATOM 0 HB VAL A 6 -10.758 -6.315 -5.505 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.428 -3.949 -6.073 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.083 -4.270 -5.503 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -10.906 -3.489 -4.421 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.556 -5.274 -5.212 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.973 -4.883 -3.526 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.831 -6.582 -4.037 1.00 0.00 H new ATOM 353 N LYS A 7 -13.717 -5.521 -3.316 1.00 0.00 N ATOM 354 CA LYS A 7 -15.090 -5.720 -3.601 1.00 0.00 C ATOM 355 C LYS A 7 -15.715 -4.466 -4.178 1.00 0.00 C ATOM 356 O LYS A 7 -15.073 -3.420 -4.223 1.00 0.00 O ATOM 357 CB LYS A 7 -15.772 -6.252 -2.380 1.00 0.00 C ATOM 358 CG LYS A 7 -15.315 -7.660 -2.059 1.00 0.00 C ATOM 359 CD LYS A 7 -15.695 -7.995 -0.680 1.00 0.00 C ATOM 360 CE LYS A 7 -15.388 -9.434 -0.305 1.00 0.00 C ATOM 361 NZ LYS A 7 -16.133 -10.416 -1.122 1.00 0.00 N ATOM 0 H LYS A 7 -13.520 -4.807 -2.614 1.00 0.00 H new ATOM 0 HA LYS A 7 -15.214 -6.471 -4.381 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -15.565 -5.599 -1.532 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -16.851 -6.244 -2.532 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -15.766 -8.368 -2.754 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -14.235 -7.740 -2.180 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -15.172 -7.329 0.006 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -16.762 -7.813 -0.550 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.319 -9.613 -0.418 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -15.628 -9.589 0.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -16.087 -11.351 -0.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -17.126 -10.119 -1.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.710 -10.470 -2.071 1.00 0.00 H new ATOM 375 N ARG A 8 -16.930 -4.548 -4.634 1.00 0.00 N ATOM 376 CA ARG A 8 -17.520 -3.442 -5.352 1.00 0.00 C ATOM 377 C ARG A 8 -18.415 -2.611 -4.456 1.00 0.00 C ATOM 378 O ARG A 8 -19.407 -3.109 -3.915 1.00 0.00 O ATOM 379 CB ARG A 8 -18.338 -3.954 -6.494 1.00 0.00 C ATOM 380 CG ARG A 8 -18.569 -2.931 -7.571 1.00 0.00 C ATOM 381 CD ARG A 8 -19.633 -3.393 -8.514 1.00 0.00 C ATOM 382 NE ARG A 8 -19.369 -4.728 -9.072 1.00 0.00 N ATOM 383 CZ ARG A 8 -19.526 -5.081 -10.351 1.00 0.00 C ATOM 384 NH1 ARG A 8 -19.835 -4.164 -11.272 1.00 0.00 N ATOM 385 NH2 ARG A 8 -19.365 -6.351 -10.705 1.00 0.00 N ATOM 0 H ARG A 8 -17.535 -5.362 -4.526 1.00 0.00 H new ATOM 0 HA ARG A 8 -16.704 -2.817 -5.715 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -17.840 -4.821 -6.928 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -19.301 -4.296 -6.116 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -18.860 -1.981 -7.122 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -17.643 -2.754 -8.117 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -20.591 -3.406 -7.994 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -19.723 -2.676 -9.330 1.00 0.00 H new ATOM 0 HE ARG A 8 -19.038 -5.446 -8.427 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -19.952 -3.188 -11.000 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -19.953 -4.440 -12.247 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -19.123 -7.050 -10.002 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -19.483 -6.628 -11.680 1.00 0.00 H new ATOM 399 N TRP A 9 -18.073 -1.379 -4.297 1.00 0.00 N ATOM 400 CA TRP A 9 -18.853 -0.441 -3.528 1.00 0.00 C ATOM 401 C TRP A 9 -19.416 0.590 -4.498 1.00 0.00 C ATOM 402 O TRP A 9 -18.732 1.545 -4.874 1.00 0.00 O ATOM 403 CB TRP A 9 -17.952 0.216 -2.484 1.00 0.00 C ATOM 404 CG TRP A 9 -18.629 1.106 -1.491 1.00 0.00 C ATOM 405 CD1 TRP A 9 -19.957 1.156 -1.193 1.00 0.00 C ATOM 406 CD2 TRP A 9 -17.999 2.065 -0.626 1.00 0.00 C ATOM 407 NE1 TRP A 9 -20.176 2.049 -0.198 1.00 0.00 N ATOM 408 CE2 TRP A 9 -19.015 2.631 0.152 1.00 0.00 C ATOM 409 CE3 TRP A 9 -16.678 2.506 -0.420 1.00 0.00 C ATOM 410 CZ2 TRP A 9 -18.779 3.590 1.091 1.00 0.00 C ATOM 411 CZ3 TRP A 9 -16.457 3.463 0.518 1.00 0.00 C ATOM 412 CH2 TRP A 9 -17.510 3.996 1.263 1.00 0.00 C ATOM 0 H TRP A 9 -17.228 -0.976 -4.702 1.00 0.00 H new ATOM 0 HA TRP A 9 -19.673 -0.933 -3.004 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -17.430 -0.570 -1.939 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -17.193 0.800 -3.005 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -20.723 0.570 -1.679 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -21.084 2.250 0.222 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -15.861 2.094 -0.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -19.584 4.009 1.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -15.451 3.817 0.690 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -17.298 4.757 1.999 1.00 0.00 H new ATOM 423 N GLY A 10 -20.626 0.352 -4.958 1.00 0.00 N ATOM 424 CA GLY A 10 -21.205 1.186 -5.966 1.00 0.00 C ATOM 425 C GLY A 10 -20.538 0.871 -7.274 1.00 0.00 C ATOM 426 O GLY A 10 -20.430 -0.297 -7.645 1.00 0.00 O ATOM 0 H GLY A 10 -21.221 -0.415 -4.644 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -22.279 1.010 -6.035 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -21.070 2.238 -5.714 1.00 0.00 H new ATOM 430 N ASN A 11 -20.067 1.865 -7.947 1.00 0.00 N ATOM 431 CA ASN A 11 -19.297 1.669 -9.170 1.00 0.00 C ATOM 432 C ASN A 11 -17.799 1.826 -8.822 1.00 0.00 C ATOM 433 O ASN A 11 -16.973 2.176 -9.653 1.00 0.00 O ATOM 434 CB ASN A 11 -19.766 2.709 -10.238 1.00 0.00 C ATOM 435 CG ASN A 11 -19.113 2.564 -11.631 1.00 0.00 C ATOM 436 OD1 ASN A 11 -18.103 3.203 -11.937 1.00 0.00 O ATOM 437 ND2 ASN A 11 -19.688 1.751 -12.477 1.00 0.00 N ATOM 0 H ASN A 11 -20.194 2.842 -7.682 1.00 0.00 H new ATOM 0 HA ASN A 11 -19.452 0.675 -9.589 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -20.847 2.627 -10.351 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -19.560 3.711 -9.861 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -19.302 1.634 -13.414 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -20.522 1.234 -12.200 1.00 0.00 H new ATOM 444 N SER A 12 -17.438 1.498 -7.600 1.00 0.00 N ATOM 445 CA SER A 12 -16.116 1.735 -7.158 1.00 0.00 C ATOM 446 C SER A 12 -15.546 0.505 -6.457 1.00 0.00 C ATOM 447 O SER A 12 -16.142 -0.010 -5.524 1.00 0.00 O ATOM 448 CB SER A 12 -16.139 2.944 -6.226 1.00 0.00 C ATOM 449 OG SER A 12 -14.872 3.234 -5.681 1.00 0.00 O ATOM 0 H SER A 12 -18.053 1.068 -6.910 1.00 0.00 H new ATOM 0 HA SER A 12 -15.467 1.939 -8.010 1.00 0.00 H new ATOM 0 HB2 SER A 12 -16.502 3.813 -6.774 1.00 0.00 H new ATOM 0 HB3 SER A 12 -16.845 2.760 -5.416 1.00 0.00 H new ATOM 0 HG SER A 12 -14.531 4.066 -6.070 1.00 0.00 H new ATOM 455 N PRO A 13 -14.442 -0.037 -6.965 1.00 0.00 N ATOM 456 CA PRO A 13 -13.729 -1.104 -6.287 1.00 0.00 C ATOM 457 C PRO A 13 -13.131 -0.590 -4.974 1.00 0.00 C ATOM 458 O PRO A 13 -12.355 0.379 -4.960 1.00 0.00 O ATOM 459 CB PRO A 13 -12.615 -1.516 -7.259 1.00 0.00 C ATOM 460 CG PRO A 13 -12.590 -0.495 -8.348 1.00 0.00 C ATOM 461 CD PRO A 13 -13.843 0.328 -8.251 1.00 0.00 C ATOM 0 HA PRO A 13 -14.381 -1.940 -6.034 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.653 -1.559 -6.748 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.805 -2.509 -7.665 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.710 0.141 -8.252 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.529 -0.980 -9.322 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -13.619 1.394 -8.293 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -14.521 0.112 -9.077 1.00 0.00 H new ATOM 469 N ALA A 14 -13.502 -1.207 -3.889 1.00 0.00 N ATOM 470 CA ALA A 14 -13.054 -0.791 -2.596 1.00 0.00 C ATOM 471 C ALA A 14 -12.529 -1.974 -1.816 1.00 0.00 C ATOM 472 O ALA A 14 -13.033 -3.103 -1.953 1.00 0.00 O ATOM 473 CB ALA A 14 -14.189 -0.115 -1.839 1.00 0.00 C ATOM 0 H ALA A 14 -14.125 -2.014 -3.879 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.243 -0.073 -2.721 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -13.836 0.197 -0.856 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -14.529 0.758 -2.396 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -15.016 -0.815 -1.722 1.00 0.00 H new ATOM 479 N VAL A 15 -11.523 -1.738 -1.028 1.00 0.00 N ATOM 480 CA VAL A 15 -10.961 -2.773 -0.203 1.00 0.00 C ATOM 481 C VAL A 15 -11.235 -2.433 1.258 1.00 0.00 C ATOM 482 O VAL A 15 -11.264 -1.250 1.633 1.00 0.00 O ATOM 483 CB VAL A 15 -9.426 -2.984 -0.470 1.00 0.00 C ATOM 484 CG1 VAL A 15 -8.590 -1.784 -0.052 1.00 0.00 C ATOM 485 CG2 VAL A 15 -8.913 -4.266 0.187 1.00 0.00 C ATOM 0 H VAL A 15 -11.069 -0.829 -0.937 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.437 -3.721 -0.455 1.00 0.00 H new ATOM 0 HB VAL A 15 -9.313 -3.089 -1.549 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.538 -1.983 -0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.909 -0.905 -0.612 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.722 -1.602 1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.849 -4.379 -0.018 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.071 -4.211 1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.453 -5.123 -0.216 1.00 0.00 H new ATOM 495 N ARG A 16 -11.492 -3.444 2.043 1.00 0.00 N ATOM 496 CA ARG A 16 -11.787 -3.286 3.441 1.00 0.00 C ATOM 497 C ARG A 16 -10.519 -3.124 4.266 1.00 0.00 C ATOM 498 O ARG A 16 -9.576 -3.911 4.128 1.00 0.00 O ATOM 499 CB ARG A 16 -12.553 -4.498 3.937 1.00 0.00 C ATOM 500 CG ARG A 16 -13.951 -4.619 3.404 1.00 0.00 C ATOM 501 CD ARG A 16 -14.641 -5.799 4.034 1.00 0.00 C ATOM 502 NE ARG A 16 -16.033 -5.954 3.586 1.00 0.00 N ATOM 503 CZ ARG A 16 -16.978 -6.612 4.269 1.00 0.00 C ATOM 504 NH1 ARG A 16 -16.711 -7.105 5.479 1.00 0.00 N ATOM 505 NH2 ARG A 16 -18.186 -6.744 3.759 1.00 0.00 N ATOM 0 H ARG A 16 -11.502 -4.413 1.725 1.00 0.00 H new ATOM 0 HA ARG A 16 -12.387 -2.384 3.557 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -11.998 -5.397 3.668 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -12.596 -4.463 5.026 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -14.509 -3.706 3.613 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -13.927 -4.737 2.321 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -14.086 -6.707 3.798 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -14.624 -5.687 5.118 1.00 0.00 H new ATOM 0 HE ARG A 16 -16.296 -5.532 2.695 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -15.784 -6.981 5.887 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -17.433 -7.606 5.996 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -18.400 -6.345 2.845 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -18.907 -7.245 4.278 1.00 0.00 H new ATOM 519 N ILE A 17 -10.492 -2.103 5.088 1.00 0.00 N ATOM 520 CA ILE A 17 -9.408 -1.883 6.024 1.00 0.00 C ATOM 521 C ILE A 17 -9.921 -2.189 7.436 1.00 0.00 C ATOM 522 O ILE A 17 -11.008 -1.738 7.806 1.00 0.00 O ATOM 523 CB ILE A 17 -8.829 -0.402 5.965 1.00 0.00 C ATOM 524 CG1 ILE A 17 -8.005 -0.136 4.708 1.00 0.00 C ATOM 525 CG2 ILE A 17 -7.996 -0.046 7.166 1.00 0.00 C ATOM 526 CD1 ILE A 17 -8.801 0.051 3.484 1.00 0.00 C ATOM 0 H ILE A 17 -11.225 -1.395 5.129 1.00 0.00 H new ATOM 0 HA ILE A 17 -8.586 -2.545 5.752 1.00 0.00 H new ATOM 0 HB ILE A 17 -9.717 0.230 5.951 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.396 0.754 4.870 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.318 -0.969 4.556 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -7.631 0.976 7.065 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.604 -0.127 8.067 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.149 -0.729 7.237 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.135 0.235 2.641 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.390 -0.846 3.292 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.469 0.903 3.611 1.00 0.00 H new ATOM 538 N PRO A 18 -9.186 -2.999 8.220 1.00 0.00 N ATOM 539 CA PRO A 18 -9.573 -3.300 9.588 1.00 0.00 C ATOM 540 C PRO A 18 -9.571 -2.039 10.455 1.00 0.00 C ATOM 541 O PRO A 18 -8.618 -1.233 10.405 1.00 0.00 O ATOM 542 CB PRO A 18 -8.505 -4.280 10.097 1.00 0.00 C ATOM 543 CG PRO A 18 -7.741 -4.721 8.892 1.00 0.00 C ATOM 544 CD PRO A 18 -7.947 -3.683 7.822 1.00 0.00 C ATOM 0 HA PRO A 18 -10.581 -3.712 9.634 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.847 -3.799 10.821 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.965 -5.131 10.600 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.682 -4.825 9.126 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.090 -5.696 8.552 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.107 -2.990 7.772 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.042 -4.139 6.837 1.00 0.00 H new ATOM 552 N ALA A 19 -10.606 -1.883 11.271 1.00 0.00 N ATOM 553 CA ALA A 19 -10.741 -0.735 12.158 1.00 0.00 C ATOM 554 C ALA A 19 -9.599 -0.711 13.163 1.00 0.00 C ATOM 555 O ALA A 19 -9.186 0.348 13.629 1.00 0.00 O ATOM 556 CB ALA A 19 -12.089 -0.749 12.867 1.00 0.00 C ATOM 0 H ALA A 19 -11.376 -2.549 11.336 1.00 0.00 H new ATOM 0 HA ALA A 19 -10.692 0.173 11.557 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -12.164 0.118 13.523 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -12.889 -0.715 12.128 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.180 -1.660 13.458 1.00 0.00 H new ATOM 562 N THR A 20 -9.077 -1.885 13.454 1.00 0.00 N ATOM 563 CA THR A 20 -7.943 -2.060 14.313 1.00 0.00 C ATOM 564 C THR A 20 -6.721 -1.283 13.760 1.00 0.00 C ATOM 565 O THR A 20 -5.993 -0.646 14.504 1.00 0.00 O ATOM 566 CB THR A 20 -7.626 -3.551 14.376 1.00 0.00 C ATOM 567 OG1 THR A 20 -8.867 -4.260 14.522 1.00 0.00 O ATOM 568 CG2 THR A 20 -6.727 -3.860 15.561 1.00 0.00 C ATOM 0 H THR A 20 -9.446 -2.762 13.086 1.00 0.00 H new ATOM 0 HA THR A 20 -8.166 -1.675 15.308 1.00 0.00 H new ATOM 0 HB THR A 20 -7.107 -3.854 13.467 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.691 -5.223 14.563 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.514 -4.929 15.587 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.793 -3.306 15.464 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.228 -3.568 16.484 1.00 0.00 H new ATOM 576 N LEU A 21 -6.552 -1.303 12.439 1.00 0.00 N ATOM 577 CA LEU A 21 -5.444 -0.605 11.777 1.00 0.00 C ATOM 578 C LEU A 21 -5.718 0.849 11.694 1.00 0.00 C ATOM 579 O LEU A 21 -4.810 1.672 11.796 1.00 0.00 O ATOM 580 CB LEU A 21 -5.179 -1.169 10.394 1.00 0.00 C ATOM 581 CG LEU A 21 -4.266 -2.374 10.328 1.00 0.00 C ATOM 582 CD1 LEU A 21 -2.832 -1.967 10.635 1.00 0.00 C ATOM 583 CD2 LEU A 21 -4.707 -3.451 11.293 1.00 0.00 C ATOM 0 H LEU A 21 -7.172 -1.799 11.799 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.550 -0.761 12.381 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.135 -1.438 9.945 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.749 -0.379 9.778 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.320 -2.776 9.316 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.186 -2.844 10.584 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.499 -1.228 9.906 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.782 -1.537 11.635 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.031 -4.303 11.221 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.689 -3.058 12.310 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.719 -3.770 11.045 1.00 0.00 H new ATOM 595 N MET A 22 -6.969 1.151 11.514 1.00 0.00 N ATOM 596 CA MET A 22 -7.457 2.531 11.538 1.00 0.00 C ATOM 597 C MET A 22 -7.022 3.194 12.823 1.00 0.00 C ATOM 598 O MET A 22 -6.434 4.264 12.823 1.00 0.00 O ATOM 599 CB MET A 22 -8.979 2.572 11.430 1.00 0.00 C ATOM 600 CG MET A 22 -9.545 2.082 10.114 1.00 0.00 C ATOM 601 SD MET A 22 -9.256 3.214 8.764 1.00 0.00 S ATOM 602 CE MET A 22 -10.180 4.624 9.365 1.00 0.00 C ATOM 0 H MET A 22 -7.697 0.457 11.344 1.00 0.00 H new ATOM 0 HA MET A 22 -7.037 3.064 10.685 1.00 0.00 H new ATOM 0 HB2 MET A 22 -9.401 1.970 12.235 1.00 0.00 H new ATOM 0 HB3 MET A 22 -9.311 3.598 11.591 1.00 0.00 H new ATOM 0 HG2 MET A 22 -9.102 1.116 9.872 1.00 0.00 H new ATOM 0 HG3 MET A 22 -10.618 1.922 10.223 1.00 0.00 H new ATOM 0 HE1 MET A 22 -10.416 5.286 8.532 1.00 0.00 H new ATOM 0 HE2 MET A 22 -11.105 4.282 9.829 1.00 0.00 H new ATOM 0 HE3 MET A 22 -9.583 5.164 10.100 1.00 0.00 H new ATOM 612 N GLN A 23 -7.280 2.519 13.898 1.00 0.00 N ATOM 613 CA GLN A 23 -6.875 2.960 15.213 1.00 0.00 C ATOM 614 C GLN A 23 -5.374 2.883 15.386 1.00 0.00 C ATOM 615 O GLN A 23 -4.786 3.715 16.064 1.00 0.00 O ATOM 616 CB GLN A 23 -7.508 2.093 16.264 1.00 0.00 C ATOM 617 CG GLN A 23 -9.005 2.094 16.238 1.00 0.00 C ATOM 618 CD GLN A 23 -9.606 3.462 16.480 1.00 0.00 C ATOM 619 OE1 GLN A 23 -9.028 4.302 17.177 1.00 0.00 O ATOM 620 NE2 GLN A 23 -10.758 3.694 15.926 1.00 0.00 N ATOM 0 H GLN A 23 -7.784 1.632 13.897 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.197 3.996 15.320 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.154 1.070 16.137 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.172 2.427 17.246 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.345 1.721 15.272 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.375 1.403 16.995 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.204 2.975 15.357 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -11.216 4.595 16.060 1.00 0.00 H new ATOM 629 N ALA A 24 -4.755 1.903 14.743 1.00 0.00 N ATOM 630 CA ALA A 24 -3.309 1.663 14.917 1.00 0.00 C ATOM 631 C ALA A 24 -2.474 2.809 14.370 1.00 0.00 C ATOM 632 O ALA A 24 -1.403 3.129 14.890 1.00 0.00 O ATOM 633 CB ALA A 24 -2.886 0.348 14.278 1.00 0.00 C ATOM 0 H ALA A 24 -5.217 1.260 14.099 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.127 1.600 15.990 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.816 0.200 14.423 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.432 -0.474 14.741 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.107 0.374 13.211 1.00 0.00 H new ATOM 639 N LEU A 25 -2.958 3.413 13.327 1.00 0.00 N ATOM 640 CA LEU A 25 -2.285 4.532 12.707 1.00 0.00 C ATOM 641 C LEU A 25 -2.996 5.833 13.041 1.00 0.00 C ATOM 642 O LEU A 25 -2.543 6.924 12.692 1.00 0.00 O ATOM 643 CB LEU A 25 -2.225 4.275 11.229 1.00 0.00 C ATOM 644 CG LEU A 25 -1.321 3.106 10.867 1.00 0.00 C ATOM 645 CD1 LEU A 25 -1.821 2.422 9.641 1.00 0.00 C ATOM 646 CD2 LEU A 25 0.094 3.607 10.635 1.00 0.00 C ATOM 0 H LEU A 25 -3.833 3.149 12.875 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.269 4.633 13.089 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.231 4.078 10.859 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.869 5.173 10.723 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.323 2.392 11.691 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.163 1.588 9.396 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.830 2.049 9.818 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.836 3.128 8.811 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.739 2.768 10.376 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.095 4.330 9.820 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.465 4.083 11.543 1.00 0.00 H new ATOM 658 N ASN A 26 -4.085 5.673 13.757 1.00 0.00 N ATOM 659 CA ASN A 26 -4.964 6.737 14.237 1.00 0.00 C ATOM 660 C ASN A 26 -5.486 7.635 13.124 1.00 0.00 C ATOM 661 O ASN A 26 -5.136 8.825 13.021 1.00 0.00 O ATOM 662 CB ASN A 26 -4.363 7.553 15.392 1.00 0.00 C ATOM 663 CG ASN A 26 -5.383 8.494 16.038 1.00 0.00 C ATOM 664 OD1 ASN A 26 -6.584 8.204 16.072 1.00 0.00 O ATOM 665 ND2 ASN A 26 -4.922 9.611 16.546 1.00 0.00 N ATOM 0 H ASN A 26 -4.407 4.748 14.041 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.828 6.215 14.647 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.972 6.872 16.148 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -3.520 8.136 15.021 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.561 10.273 16.987 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.924 9.818 16.500 1.00 0.00 H new ATOM 672 N LEU A 27 -6.243 7.042 12.254 1.00 0.00 N ATOM 673 CA LEU A 27 -6.940 7.737 11.251 1.00 0.00 C ATOM 674 C LEU A 27 -8.402 7.446 11.434 1.00 0.00 C ATOM 675 O LEU A 27 -8.765 6.448 12.075 1.00 0.00 O ATOM 676 CB LEU A 27 -6.498 7.346 9.858 1.00 0.00 C ATOM 677 CG LEU A 27 -6.626 5.888 9.467 1.00 0.00 C ATOM 678 CD1 LEU A 27 -7.022 5.817 8.021 1.00 0.00 C ATOM 679 CD2 LEU A 27 -5.304 5.179 9.660 1.00 0.00 C ATOM 0 H LEU A 27 -6.388 6.033 12.233 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.731 8.803 11.347 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.072 7.937 9.145 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.453 7.635 9.743 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.377 5.405 10.092 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.119 4.774 7.721 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.976 6.325 7.880 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.259 6.300 7.411 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.408 4.132 9.376 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.544 5.650 9.037 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.006 5.243 10.707 1.00 0.00 H new ATOM 691 N ASN A 28 -9.234 8.284 10.912 1.00 0.00 N ATOM 692 CA ASN A 28 -10.661 8.129 11.083 1.00 0.00 C ATOM 693 C ASN A 28 -11.354 8.090 9.745 1.00 0.00 C ATOM 694 O ASN A 28 -10.708 8.183 8.696 1.00 0.00 O ATOM 695 CB ASN A 28 -11.253 9.268 11.937 1.00 0.00 C ATOM 696 CG ASN A 28 -10.750 9.320 13.380 1.00 0.00 C ATOM 697 OD1 ASN A 28 -10.704 10.391 13.987 1.00 0.00 O ATOM 698 ND2 ASN A 28 -10.370 8.192 13.938 1.00 0.00 N ATOM 0 H ASN A 28 -8.958 9.094 10.357 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.826 7.185 11.603 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.027 10.219 11.455 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -12.338 9.167 11.949 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.026 8.189 14.898 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.419 7.320 13.411 1.00 0.00 H new ATOM 705 N ILE A 29 -12.654 7.932 9.780 1.00 0.00 N ATOM 706 CA ILE A 29 -13.467 7.925 8.593 1.00 0.00 C ATOM 707 C ILE A 29 -13.509 9.326 7.978 1.00 0.00 C ATOM 708 O ILE A 29 -13.652 10.330 8.693 1.00 0.00 O ATOM 709 CB ILE A 29 -14.908 7.411 8.900 1.00 0.00 C ATOM 710 CG1 ILE A 29 -14.904 5.912 9.272 1.00 0.00 C ATOM 711 CG2 ILE A 29 -15.860 7.674 7.751 1.00 0.00 C ATOM 712 CD1 ILE A 29 -14.420 4.989 8.168 1.00 0.00 C ATOM 0 H ILE A 29 -13.181 7.803 10.644 1.00 0.00 H new ATOM 0 HA ILE A 29 -13.019 7.239 7.874 1.00 0.00 H new ATOM 0 HB ILE A 29 -15.267 7.975 9.761 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -14.273 5.770 10.149 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -15.915 5.619 9.556 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -16.851 7.300 8.007 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -15.914 8.746 7.561 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -15.500 7.165 6.857 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.451 3.957 8.517 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -15.064 5.096 7.295 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -13.397 5.250 7.898 1.00 0.00 H new ATOM 724 N ASP A 30 -13.358 9.356 6.664 1.00 0.00 N ATOM 725 CA ASP A 30 -13.325 10.552 5.838 1.00 0.00 C ATOM 726 C ASP A 30 -12.052 11.325 6.041 1.00 0.00 C ATOM 727 O ASP A 30 -11.987 12.541 5.815 1.00 0.00 O ATOM 728 CB ASP A 30 -14.588 11.432 5.968 1.00 0.00 C ATOM 729 CG ASP A 30 -15.801 10.820 5.297 1.00 0.00 C ATOM 730 OD1 ASP A 30 -15.869 10.808 4.060 1.00 0.00 O ATOM 731 OD2 ASP A 30 -16.734 10.360 5.989 1.00 0.00 O ATOM 0 H ASP A 30 -13.250 8.502 6.116 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.334 10.209 4.804 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -14.805 11.594 7.024 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.391 12.410 5.529 1.00 0.00 H new ATOM 736 N ASP A 31 -11.004 10.611 6.419 1.00 0.00 N ATOM 737 CA ASP A 31 -9.720 11.210 6.538 1.00 0.00 C ATOM 738 C ASP A 31 -9.033 10.962 5.229 1.00 0.00 C ATOM 739 O ASP A 31 -9.294 9.941 4.576 1.00 0.00 O ATOM 740 CB ASP A 31 -8.915 10.624 7.698 1.00 0.00 C ATOM 741 CG ASP A 31 -7.734 11.496 8.081 1.00 0.00 C ATOM 742 OD1 ASP A 31 -7.541 12.575 7.482 1.00 0.00 O ATOM 743 OD2 ASP A 31 -7.000 11.146 9.035 1.00 0.00 O ATOM 0 H ASP A 31 -11.035 9.617 6.645 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.810 12.274 6.755 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -9.567 10.500 8.563 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.557 9.632 7.423 1.00 0.00 H new ATOM 748 N GLU A 32 -8.186 11.841 4.860 1.00 0.00 N ATOM 749 CA GLU A 32 -7.596 11.858 3.564 1.00 0.00 C ATOM 750 C GLU A 32 -6.298 11.058 3.522 1.00 0.00 C ATOM 751 O GLU A 32 -5.490 11.108 4.465 1.00 0.00 O ATOM 752 CB GLU A 32 -7.416 13.312 3.147 1.00 0.00 C ATOM 753 CG GLU A 32 -6.738 13.522 1.830 1.00 0.00 C ATOM 754 CD GLU A 32 -6.889 14.929 1.361 1.00 0.00 C ATOM 755 OE1 GLU A 32 -6.121 15.808 1.802 1.00 0.00 O ATOM 756 OE2 GLU A 32 -7.807 15.188 0.558 1.00 0.00 O ATOM 0 H GLU A 32 -7.868 12.598 5.465 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.251 11.365 2.846 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.397 13.786 3.111 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.842 13.825 3.918 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.679 13.278 1.921 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.159 12.842 1.089 1.00 0.00 H new ATOM 763 N VAL A 33 -6.116 10.278 2.447 1.00 0.00 N ATOM 764 CA VAL A 33 -4.930 9.454 2.306 1.00 0.00 C ATOM 765 C VAL A 33 -4.353 9.540 0.914 1.00 0.00 C ATOM 766 O VAL A 33 -5.043 9.917 -0.042 1.00 0.00 O ATOM 767 CB VAL A 33 -5.147 7.940 2.688 1.00 0.00 C ATOM 768 CG1 VAL A 33 -5.962 7.808 3.923 1.00 0.00 C ATOM 769 CG2 VAL A 33 -5.798 7.141 1.583 1.00 0.00 C ATOM 0 H VAL A 33 -6.776 10.208 1.673 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.223 9.868 3.025 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.150 7.534 2.857 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.094 6.752 4.161 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.454 8.305 4.749 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.937 8.270 3.767 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.921 6.107 1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.774 7.568 1.352 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.169 7.171 0.693 1.00 0.00 H new ATOM 779 N LYS A 34 -3.092 9.210 0.824 1.00 0.00 N ATOM 780 CA LYS A 34 -2.394 9.120 -0.443 1.00 0.00 C ATOM 781 C LYS A 34 -2.328 7.672 -0.882 1.00 0.00 C ATOM 782 O LYS A 34 -1.969 6.789 -0.090 1.00 0.00 O ATOM 783 CB LYS A 34 -0.956 9.626 -0.336 1.00 0.00 C ATOM 784 CG LYS A 34 -0.788 11.101 -0.020 1.00 0.00 C ATOM 785 CD LYS A 34 0.694 11.474 0.087 1.00 0.00 C ATOM 786 CE LYS A 34 1.367 10.719 1.225 1.00 0.00 C ATOM 787 NZ LYS A 34 2.819 10.968 1.323 1.00 0.00 N ATOM 0 H LYS A 34 -2.510 8.993 1.633 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.943 9.734 -1.157 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.446 9.050 0.436 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.448 9.417 -1.277 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.262 11.700 -0.798 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.294 11.336 0.916 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.198 11.247 -0.852 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.791 12.547 0.250 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.894 11.000 2.166 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.198 9.651 1.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.269 10.193 1.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.228 11.020 0.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.984 11.867 1.820 1.00 0.00 H new ATOM 801 N ILE A 35 -2.685 7.439 -2.107 1.00 0.00 N ATOM 802 CA ILE A 35 -2.552 6.153 -2.736 1.00 0.00 C ATOM 803 C ILE A 35 -1.563 6.330 -3.851 1.00 0.00 C ATOM 804 O ILE A 35 -1.675 7.286 -4.643 1.00 0.00 O ATOM 805 CB ILE A 35 -3.885 5.580 -3.365 1.00 0.00 C ATOM 806 CG1 ILE A 35 -5.000 5.381 -2.340 1.00 0.00 C ATOM 807 CG2 ILE A 35 -3.629 4.265 -4.095 1.00 0.00 C ATOM 808 CD1 ILE A 35 -5.676 6.636 -1.903 1.00 0.00 C ATOM 0 H ILE A 35 -3.087 8.152 -2.715 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.250 5.442 -1.967 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.222 6.336 -4.074 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.748 4.710 -2.763 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.585 4.884 -1.463 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.564 3.895 -4.517 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.908 4.428 -4.896 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.232 3.531 -3.394 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.452 6.397 -1.176 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.945 7.303 -1.447 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.126 7.126 -2.766 1.00 0.00 H new ATOM 820 N ASP A 36 -0.593 5.491 -3.903 1.00 0.00 N ATOM 821 CA ASP A 36 0.365 5.545 -4.973 1.00 0.00 C ATOM 822 C ASP A 36 0.662 4.140 -5.408 1.00 0.00 C ATOM 823 O ASP A 36 0.480 3.197 -4.628 1.00 0.00 O ATOM 824 CB ASP A 36 1.662 6.198 -4.510 1.00 0.00 C ATOM 825 CG ASP A 36 2.373 6.916 -5.636 1.00 0.00 C ATOM 826 OD1 ASP A 36 2.656 6.305 -6.687 1.00 0.00 O ATOM 827 OD2 ASP A 36 2.617 8.138 -5.485 1.00 0.00 O ATOM 0 H ASP A 36 -0.432 4.752 -3.219 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.048 6.134 -5.792 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.445 6.905 -3.710 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.321 5.437 -4.093 1.00 0.00 H new ATOM 832 N LEU A 37 1.074 3.976 -6.623 1.00 0.00 N ATOM 833 CA LEU A 37 1.469 2.755 -7.108 1.00 0.00 C ATOM 834 C LEU A 37 2.955 2.802 -7.130 1.00 0.00 C ATOM 835 O LEU A 37 3.550 3.619 -7.812 1.00 0.00 O ATOM 836 CB LEU A 37 0.911 2.560 -8.499 1.00 0.00 C ATOM 837 CG LEU A 37 1.156 1.223 -9.196 1.00 0.00 C ATOM 838 CD1 LEU A 37 2.562 1.108 -9.757 1.00 0.00 C ATOM 839 CD2 LEU A 37 0.871 0.099 -8.259 1.00 0.00 C ATOM 0 H LEU A 37 1.136 4.733 -7.304 1.00 0.00 H new ATOM 0 HA LEU A 37 1.111 1.925 -6.499 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.167 2.717 -8.450 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.319 3.346 -9.134 1.00 0.00 H new ATOM 0 HG LEU A 37 0.474 1.169 -10.045 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.682 0.139 -10.241 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.729 1.901 -10.486 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.286 1.201 -8.947 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.048 -0.850 -8.765 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.525 0.175 -7.390 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.169 0.149 -7.936 1.00 0.00 H new ATOM 851 N VAL A 38 3.531 1.936 -6.432 1.00 0.00 N ATOM 852 CA VAL A 38 4.971 1.914 -6.263 1.00 0.00 C ATOM 853 C VAL A 38 5.415 0.481 -6.221 1.00 0.00 C ATOM 854 O VAL A 38 4.859 -0.295 -5.455 1.00 0.00 O ATOM 855 CB VAL A 38 5.432 2.601 -4.925 1.00 0.00 C ATOM 856 CG1 VAL A 38 6.949 2.592 -4.792 1.00 0.00 C ATOM 857 CG2 VAL A 38 4.912 4.029 -4.787 1.00 0.00 C ATOM 0 H VAL A 38 3.041 1.191 -5.936 1.00 0.00 H new ATOM 0 HA VAL A 38 5.412 2.463 -7.095 1.00 0.00 H new ATOM 0 HB VAL A 38 4.998 2.010 -4.119 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.235 3.074 -3.857 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.308 1.563 -4.795 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.391 3.133 -5.629 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.261 4.454 -3.846 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.281 4.632 -5.616 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.822 4.022 -4.800 1.00 0.00 H new ATOM 867 N ASP A 39 6.347 0.112 -7.100 1.00 0.00 N ATOM 868 CA ASP A 39 6.975 -1.244 -7.111 1.00 0.00 C ATOM 869 C ASP A 39 5.920 -2.357 -7.355 1.00 0.00 C ATOM 870 O ASP A 39 6.095 -3.525 -6.993 1.00 0.00 O ATOM 871 CB ASP A 39 7.785 -1.459 -5.792 1.00 0.00 C ATOM 872 CG ASP A 39 8.582 -2.755 -5.732 1.00 0.00 C ATOM 873 OD1 ASP A 39 9.407 -3.005 -6.628 1.00 0.00 O ATOM 874 OD2 ASP A 39 8.429 -3.520 -4.747 1.00 0.00 O ATOM 0 H ASP A 39 6.699 0.731 -7.830 1.00 0.00 H new ATOM 0 HA ASP A 39 7.674 -1.308 -7.945 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.471 -0.622 -5.664 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.093 -1.436 -4.950 1.00 0.00 H new ATOM 879 N GLY A 40 4.824 -1.974 -7.981 1.00 0.00 N ATOM 880 CA GLY A 40 3.803 -2.934 -8.340 1.00 0.00 C ATOM 881 C GLY A 40 2.799 -3.210 -7.234 1.00 0.00 C ATOM 882 O GLY A 40 2.127 -4.240 -7.248 1.00 0.00 O ATOM 0 H GLY A 40 4.620 -1.011 -8.249 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.270 -2.571 -9.218 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.283 -3.871 -8.623 1.00 0.00 H new ATOM 886 N LYS A 41 2.703 -2.327 -6.272 1.00 0.00 N ATOM 887 CA LYS A 41 1.710 -2.470 -5.232 1.00 0.00 C ATOM 888 C LYS A 41 1.157 -1.125 -4.884 1.00 0.00 C ATOM 889 O LYS A 41 1.792 -0.091 -5.172 1.00 0.00 O ATOM 890 CB LYS A 41 2.214 -3.209 -3.954 1.00 0.00 C ATOM 891 CG LYS A 41 3.446 -2.616 -3.255 1.00 0.00 C ATOM 892 CD LYS A 41 4.757 -3.002 -3.933 1.00 0.00 C ATOM 893 CE LYS A 41 5.084 -4.463 -3.733 1.00 0.00 C ATOM 894 NZ LYS A 41 6.214 -4.893 -4.586 1.00 0.00 N ATOM 0 H LYS A 41 3.298 -1.503 -6.185 1.00 0.00 H new ATOM 0 HA LYS A 41 0.928 -3.111 -5.638 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.396 -3.240 -3.234 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.440 -4.241 -4.224 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.359 -1.530 -3.236 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.466 -2.952 -2.218 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.691 -2.787 -5.000 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.566 -2.391 -3.534 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.330 -4.641 -2.686 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.206 -5.067 -3.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.322 -5.925 -4.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.026 -4.623 -5.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.089 -4.433 -4.262 1.00 0.00 H new ATOM 908 N LEU A 42 -0.004 -1.121 -4.298 1.00 0.00 N ATOM 909 CA LEU A 42 -0.640 0.097 -3.922 1.00 0.00 C ATOM 910 C LEU A 42 -0.248 0.441 -2.535 1.00 0.00 C ATOM 911 O LEU A 42 -0.419 -0.335 -1.591 1.00 0.00 O ATOM 912 CB LEU A 42 -2.159 0.040 -4.101 1.00 0.00 C ATOM 913 CG LEU A 42 -2.664 -0.081 -5.540 1.00 0.00 C ATOM 914 CD1 LEU A 42 -4.087 -0.611 -5.555 1.00 0.00 C ATOM 915 CD2 LEU A 42 -2.631 1.268 -6.274 1.00 0.00 C ATOM 0 H LEU A 42 -0.532 -1.963 -4.070 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.302 0.890 -4.589 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.540 -0.808 -3.532 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.590 0.939 -3.661 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.998 -0.773 -6.055 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.434 -0.692 -6.585 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.114 -1.594 -5.084 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.735 0.072 -5.006 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.998 1.137 -7.292 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.264 1.983 -5.749 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.608 1.642 -6.302 1.00 0.00 H new ATOM 927 N ILE A 43 0.326 1.557 -2.438 1.00 0.00 N ATOM 928 CA ILE A 43 0.832 2.059 -1.214 1.00 0.00 C ATOM 929 C ILE A 43 -0.170 3.032 -0.656 1.00 0.00 C ATOM 930 O ILE A 43 -0.497 4.040 -1.288 1.00 0.00 O ATOM 931 CB ILE A 43 2.182 2.751 -1.443 1.00 0.00 C ATOM 932 CG1 ILE A 43 3.173 1.805 -2.146 1.00 0.00 C ATOM 933 CG2 ILE A 43 2.761 3.320 -0.160 1.00 0.00 C ATOM 934 CD1 ILE A 43 3.497 0.512 -1.404 1.00 0.00 C ATOM 0 H ILE A 43 0.470 2.183 -3.230 1.00 0.00 H new ATOM 0 HA ILE A 43 0.990 1.243 -0.509 1.00 0.00 H new ATOM 0 HB ILE A 43 2.004 3.599 -2.104 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.769 1.548 -3.125 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.103 2.346 -2.317 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.716 3.800 -0.373 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.071 4.054 0.256 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.912 2.515 0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.203 -0.076 -1.990 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.938 0.749 -0.436 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.582 -0.062 -1.256 1.00 0.00 H new ATOM 946 N ILE A 44 -0.684 2.694 0.476 1.00 0.00 N ATOM 947 CA ILE A 44 -1.696 3.488 1.148 1.00 0.00 C ATOM 948 C ILE A 44 -1.079 4.141 2.371 1.00 0.00 C ATOM 949 O ILE A 44 -0.830 3.478 3.389 1.00 0.00 O ATOM 950 CB ILE A 44 -2.896 2.614 1.623 1.00 0.00 C ATOM 951 CG1 ILE A 44 -3.461 1.747 0.482 1.00 0.00 C ATOM 952 CG2 ILE A 44 -4.000 3.480 2.241 1.00 0.00 C ATOM 953 CD1 ILE A 44 -4.024 2.509 -0.690 1.00 0.00 C ATOM 0 H ILE A 44 -0.420 1.848 0.982 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.062 4.230 0.439 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.517 1.941 2.392 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.669 1.091 0.121 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.245 1.107 0.888 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.824 2.844 2.563 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.601 4.020 3.100 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.361 4.193 1.500 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.395 1.807 -1.436 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.842 3.145 -0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.242 3.128 -1.131 1.00 0.00 H new ATOM 965 N GLU A 45 -0.821 5.403 2.279 1.00 0.00 N ATOM 966 CA GLU A 45 -0.237 6.132 3.372 1.00 0.00 C ATOM 967 C GLU A 45 -1.142 7.316 3.722 1.00 0.00 C ATOM 968 O GLU A 45 -1.441 8.166 2.861 1.00 0.00 O ATOM 969 CB GLU A 45 1.179 6.610 3.001 1.00 0.00 C ATOM 970 CG GLU A 45 1.862 7.501 4.035 1.00 0.00 C ATOM 971 CD GLU A 45 3.189 8.048 3.554 1.00 0.00 C ATOM 972 OE1 GLU A 45 4.125 7.275 3.360 1.00 0.00 O ATOM 973 OE2 GLU A 45 3.309 9.284 3.334 1.00 0.00 O ATOM 0 H GLU A 45 -1.006 5.964 1.448 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.149 5.482 4.243 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.806 5.735 2.830 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.125 7.153 2.057 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.201 8.331 4.285 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.020 6.932 4.951 1.00 0.00 H new ATOM 980 N PRO A 46 -1.658 7.328 4.954 1.00 0.00 N ATOM 981 CA PRO A 46 -2.476 8.383 5.469 1.00 0.00 C ATOM 982 C PRO A 46 -1.768 9.704 5.420 1.00 0.00 C ATOM 983 O PRO A 46 -0.535 9.780 5.497 1.00 0.00 O ATOM 984 CB PRO A 46 -2.765 8.002 6.914 1.00 0.00 C ATOM 985 CG PRO A 46 -1.902 6.882 7.196 1.00 0.00 C ATOM 986 CD PRO A 46 -1.517 6.269 5.885 1.00 0.00 C ATOM 0 HA PRO A 46 -3.384 8.496 4.877 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.561 8.834 7.588 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.813 7.733 7.047 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.016 7.208 7.741 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.413 6.153 7.825 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.495 5.891 5.907 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -2.163 5.428 5.633 1.00 0.00 H new ATOM 994 N VAL A 47 -2.517 10.722 5.311 1.00 0.00 N ATOM 995 CA VAL A 47 -1.942 12.037 5.214 1.00 0.00 C ATOM 996 C VAL A 47 -1.883 12.599 6.591 1.00 0.00 C ATOM 997 O VAL A 47 -2.919 12.852 7.220 1.00 0.00 O ATOM 998 CB VAL A 47 -2.713 13.017 4.291 1.00 0.00 C ATOM 999 CG1 VAL A 47 -1.932 14.279 4.113 1.00 0.00 C ATOM 1000 CG2 VAL A 47 -2.978 12.429 2.942 1.00 0.00 C ATOM 0 H VAL A 47 -3.536 10.693 5.285 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.958 11.928 4.758 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.668 13.222 4.774 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.483 14.959 3.463 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.776 14.750 5.083 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.967 14.049 3.662 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.520 13.151 2.331 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.032 12.183 2.460 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.576 11.524 3.051 1.00 0.00 H new ATOM 1351 N ILE B 2 -2.022 10.191 -5.095 1.00 0.00 N ATOM 1352 CA ILE B 2 -3.441 10.359 -5.369 1.00 0.00 C ATOM 1353 C ILE B 2 -4.157 10.509 -4.027 1.00 0.00 C ATOM 1354 O ILE B 2 -4.019 9.646 -3.163 1.00 0.00 O ATOM 1355 CB ILE B 2 -4.018 9.133 -6.143 1.00 0.00 C ATOM 1356 CG1 ILE B 2 -3.263 8.944 -7.474 1.00 0.00 C ATOM 1357 CG2 ILE B 2 -5.520 9.300 -6.395 1.00 0.00 C ATOM 1358 CD1 ILE B 2 -3.686 7.721 -8.268 1.00 0.00 C ATOM 0 HA ILE B 2 -3.591 11.239 -5.994 1.00 0.00 H new ATOM 0 HB ILE B 2 -3.879 8.243 -5.530 1.00 0.00 H new ATOM 0 HG12 ILE B 2 -3.411 9.831 -8.090 1.00 0.00 H new ATOM 0 HG13 ILE B 2 -2.195 8.875 -7.265 1.00 0.00 H new ATOM 0 HG21 ILE B 2 -5.897 8.432 -6.936 1.00 0.00 H new ATOM 0 HG22 ILE B 2 -6.041 9.388 -5.442 1.00 0.00 H new ATOM 0 HG23 ILE B 2 -5.692 10.199 -6.987 1.00 0.00 H new ATOM 0 HD11 ILE B 2 -3.105 7.666 -9.188 1.00 0.00 H new ATOM 0 HD12 ILE B 2 -3.512 6.824 -7.674 1.00 0.00 H new ATOM 0 HD13 ILE B 2 -4.746 7.794 -8.512 1.00 0.00 H new ATOM 1370 N HIS B 3 -4.885 11.594 -3.836 1.00 0.00 N ATOM 1371 CA HIS B 3 -5.525 11.847 -2.554 1.00 0.00 C ATOM 1372 C HIS B 3 -6.964 11.390 -2.544 1.00 0.00 C ATOM 1373 O HIS B 3 -7.783 11.821 -3.352 1.00 0.00 O ATOM 1374 CB HIS B 3 -5.445 13.326 -2.148 1.00 0.00 C ATOM 1375 CG HIS B 3 -4.051 13.843 -2.027 1.00 0.00 C ATOM 1376 ND1 HIS B 3 -3.499 14.763 -2.883 1.00 0.00 N ATOM 1377 CD2 HIS B 3 -3.090 13.541 -1.129 1.00 0.00 C ATOM 1378 CE1 HIS B 3 -2.248 14.984 -2.498 1.00 0.00 C ATOM 1379 NE2 HIS B 3 -1.943 14.265 -1.431 1.00 0.00 N ATOM 0 H HIS B 3 -5.048 12.310 -4.544 1.00 0.00 H new ATOM 0 HA HIS B 3 -4.970 11.262 -1.820 1.00 0.00 H new ATOM 0 HB2 HIS B 3 -5.982 13.925 -2.884 1.00 0.00 H new ATOM 0 HB3 HIS B 3 -5.956 13.459 -1.195 1.00 0.00 H new ATOM 0 HD2 HIS B 3 -3.195 12.848 -0.307 1.00 0.00 H new ATOM 0 HE1 HIS B 3 -1.568 15.662 -2.992 1.00 0.00 H new ATOM 0 HE2 HIS B 3 -1.053 14.246 -0.934 1.00 0.00 H new ATOM 1387 N SER B 4 -7.257 10.538 -1.634 1.00 0.00 N ATOM 1388 CA SER B 4 -8.578 10.005 -1.427 1.00 0.00 C ATOM 1389 C SER B 4 -8.891 10.038 0.047 1.00 0.00 C ATOM 1390 O SER B 4 -8.203 10.701 0.799 1.00 0.00 O ATOM 1391 CB SER B 4 -8.615 8.584 -1.925 1.00 0.00 C ATOM 1392 OG SER B 4 -8.490 8.526 -3.341 1.00 0.00 O ATOM 0 H SER B 4 -6.566 10.170 -0.980 1.00 0.00 H new ATOM 0 HA SER B 4 -9.315 10.598 -1.968 1.00 0.00 H new ATOM 0 HB2 SER B 4 -7.808 8.014 -1.464 1.00 0.00 H new ATOM 0 HB3 SER B 4 -9.551 8.115 -1.621 1.00 0.00 H new ATOM 0 HG SER B 4 -8.516 7.591 -3.634 1.00 0.00 H new ATOM 1398 N SER B 5 -9.892 9.330 0.452 1.00 0.00 N ATOM 1399 CA SER B 5 -10.269 9.274 1.814 1.00 0.00 C ATOM 1400 C SER B 5 -10.746 7.873 2.160 1.00 0.00 C ATOM 1401 O SER B 5 -10.965 7.053 1.269 1.00 0.00 O ATOM 1402 CB SER B 5 -11.335 10.332 2.077 1.00 0.00 C ATOM 1403 OG SER B 5 -12.290 10.330 1.034 1.00 0.00 O ATOM 0 H SER B 5 -10.476 8.768 -0.167 1.00 0.00 H new ATOM 0 HA SER B 5 -9.416 9.489 2.457 1.00 0.00 H new ATOM 0 HB2 SER B 5 -11.826 10.136 3.030 1.00 0.00 H new ATOM 0 HB3 SER B 5 -10.871 11.315 2.154 1.00 0.00 H new ATOM 0 HG SER B 5 -12.352 9.431 0.649 1.00 0.00 H new ATOM 1409 N VAL B 6 -10.877 7.602 3.419 1.00 0.00 N ATOM 1410 CA VAL B 6 -11.332 6.315 3.899 1.00 0.00 C ATOM 1411 C VAL B 6 -12.731 6.488 4.339 1.00 0.00 C ATOM 1412 O VAL B 6 -12.990 7.186 5.292 1.00 0.00 O ATOM 1413 CB VAL B 6 -10.499 5.815 5.094 1.00 0.00 C ATOM 1414 CG1 VAL B 6 -10.949 4.432 5.548 1.00 0.00 C ATOM 1415 CG2 VAL B 6 -9.042 5.825 4.748 1.00 0.00 C ATOM 0 H VAL B 6 -10.671 8.270 4.161 1.00 0.00 H new ATOM 0 HA VAL B 6 -11.233 5.581 3.100 1.00 0.00 H new ATOM 0 HB VAL B 6 -10.660 6.495 5.930 1.00 0.00 H new ATOM 0 HG11 VAL B 6 -10.340 4.110 6.393 1.00 0.00 H new ATOM 0 HG12 VAL B 6 -11.996 4.471 5.849 1.00 0.00 H new ATOM 0 HG13 VAL B 6 -10.834 3.724 4.727 1.00 0.00 H new ATOM 0 HG21 VAL B 6 -8.463 5.470 5.600 1.00 0.00 H new ATOM 0 HG22 VAL B 6 -8.867 5.172 3.893 1.00 0.00 H new ATOM 0 HG23 VAL B 6 -8.734 6.840 4.499 1.00 0.00 H new ATOM 1425 N LYS B 7 -13.620 5.885 3.673 1.00 0.00 N ATOM 1426 CA LYS B 7 -14.987 6.114 3.943 1.00 0.00 C ATOM 1427 C LYS B 7 -15.651 4.882 4.529 1.00 0.00 C ATOM 1428 O LYS B 7 -15.040 3.814 4.589 1.00 0.00 O ATOM 1429 CB LYS B 7 -15.652 6.647 2.713 1.00 0.00 C ATOM 1430 CG LYS B 7 -15.170 8.040 2.373 1.00 0.00 C ATOM 1431 CD LYS B 7 -15.602 8.386 1.004 1.00 0.00 C ATOM 1432 CE LYS B 7 -15.258 9.816 0.606 1.00 0.00 C ATOM 1433 NZ LYS B 7 -15.935 10.830 1.444 1.00 0.00 N ATOM 0 H LYS B 7 -13.432 5.218 2.925 1.00 0.00 H new ATOM 0 HA LYS B 7 -15.093 6.876 4.716 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -15.454 5.979 1.875 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -16.732 6.662 2.861 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -15.571 8.760 3.086 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -14.084 8.089 2.447 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -15.136 7.698 0.299 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -16.680 8.243 0.924 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -14.179 9.957 0.676 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -15.533 9.973 -0.437 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -15.758 11.778 1.054 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -16.958 10.645 1.453 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -15.565 10.781 2.415 1.00 0.00 H new ATOM 1447 N ARG B 8 -16.859 5.019 4.986 1.00 0.00 N ATOM 1448 CA ARG B 8 -17.515 3.940 5.685 1.00 0.00 C ATOM 1449 C ARG B 8 -18.384 3.125 4.743 1.00 0.00 C ATOM 1450 O ARG B 8 -19.327 3.652 4.155 1.00 0.00 O ATOM 1451 CB ARG B 8 -18.401 4.498 6.782 1.00 0.00 C ATOM 1452 CG ARG B 8 -18.856 3.469 7.787 1.00 0.00 C ATOM 1453 CD ARG B 8 -19.979 3.998 8.656 1.00 0.00 C ATOM 1454 NE ARG B 8 -19.687 5.318 9.229 1.00 0.00 N ATOM 1455 CZ ARG B 8 -19.922 5.678 10.491 1.00 0.00 C ATOM 1456 NH1 ARG B 8 -20.320 4.774 11.388 1.00 0.00 N ATOM 1457 NH2 ARG B 8 -19.743 6.943 10.853 1.00 0.00 N ATOM 0 H ARG B 8 -17.417 5.867 4.890 1.00 0.00 H new ATOM 0 HA ARG B 8 -16.739 3.300 6.106 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -17.861 5.287 7.305 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -19.278 4.959 6.327 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -19.190 2.572 7.265 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -18.015 3.177 8.416 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -20.892 4.059 8.063 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -20.170 3.291 9.464 1.00 0.00 H new ATOM 0 HE ARG B 8 -19.271 6.016 8.612 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -20.446 3.801 11.110 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -20.498 5.056 12.352 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -19.428 7.630 10.168 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -19.920 7.228 11.816 1.00 0.00 H new ATOM 1471 N TRP B 9 -18.076 1.874 4.607 1.00 0.00 N ATOM 1472 CA TRP B 9 -18.867 0.949 3.821 1.00 0.00 C ATOM 1473 C TRP B 9 -19.474 -0.055 4.791 1.00 0.00 C ATOM 1474 O TRP B 9 -18.815 -1.016 5.210 1.00 0.00 O ATOM 1475 CB TRP B 9 -17.970 0.252 2.792 1.00 0.00 C ATOM 1476 CG TRP B 9 -18.661 -0.627 1.791 1.00 0.00 C ATOM 1477 CD1 TRP B 9 -19.985 -0.640 1.475 1.00 0.00 C ATOM 1478 CD2 TRP B 9 -18.047 -1.610 0.937 1.00 0.00 C ATOM 1479 NE1 TRP B 9 -20.216 -1.526 0.477 1.00 0.00 N ATOM 1480 CE2 TRP B 9 -19.069 -2.144 0.143 1.00 0.00 C ATOM 1481 CE3 TRP B 9 -16.737 -2.093 0.753 1.00 0.00 C ATOM 1482 CZ2 TRP B 9 -18.847 -3.111 -0.797 1.00 0.00 C ATOM 1483 CZ3 TRP B 9 -16.528 -3.057 -0.184 1.00 0.00 C ATOM 1484 CH2 TRP B 9 -17.585 -3.556 -0.949 1.00 0.00 C ATOM 0 H TRP B 9 -17.257 1.449 5.041 1.00 0.00 H new ATOM 0 HA TRP B 9 -19.657 1.462 3.273 1.00 0.00 H new ATOM 0 HB2 TRP B 9 -17.415 1.017 2.249 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -17.239 -0.352 3.329 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -20.741 -0.033 1.951 1.00 0.00 H new ATOM 0 HE1 TRP B 9 -21.123 -1.699 0.044 1.00 0.00 H new ATOM 0 HE3 TRP B 9 -15.918 -1.707 1.342 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -19.655 -3.504 -1.396 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -15.531 -3.442 -0.339 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -17.384 -4.321 -1.684 1.00 0.00 H new ATOM 1495 N GLY B 10 -20.684 0.222 5.220 1.00 0.00 N ATOM 1496 CA GLY B 10 -21.311 -0.585 6.217 1.00 0.00 C ATOM 1497 C GLY B 10 -20.671 -0.292 7.540 1.00 0.00 C ATOM 1498 O GLY B 10 -20.579 0.862 7.941 1.00 0.00 O ATOM 0 H GLY B 10 -21.247 1.004 4.887 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -22.379 -0.373 6.258 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -21.205 -1.641 5.971 1.00 0.00 H new ATOM 1502 N ASN B 11 -20.231 -1.295 8.211 1.00 0.00 N ATOM 1503 CA ASN B 11 -19.478 -1.120 9.446 1.00 0.00 C ATOM 1504 C ASN B 11 -17.945 -1.210 9.158 1.00 0.00 C ATOM 1505 O ASN B 11 -17.114 -1.247 10.069 1.00 0.00 O ATOM 1506 CB ASN B 11 -19.951 -2.199 10.456 1.00 0.00 C ATOM 1507 CG ASN B 11 -19.268 -2.180 11.819 1.00 0.00 C ATOM 1508 OD1 ASN B 11 -18.272 -2.880 12.038 1.00 0.00 O ATOM 1509 ND2 ASN B 11 -19.792 -1.400 12.734 1.00 0.00 N ATOM 0 H ASN B 11 -20.371 -2.268 7.938 1.00 0.00 H new ATOM 0 HA ASN B 11 -19.658 -0.135 9.876 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -21.024 -2.082 10.607 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -19.797 -3.181 10.008 1.00 0.00 H new ATOM 0 HD21 ASN B 11 -19.377 -1.356 13.665 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -20.614 -0.838 12.515 1.00 0.00 H new ATOM 1516 N SER B 12 -17.562 -1.126 7.894 1.00 0.00 N ATOM 1517 CA SER B 12 -16.229 -1.374 7.526 1.00 0.00 C ATOM 1518 C SER B 12 -15.645 -0.148 6.837 1.00 0.00 C ATOM 1519 O SER B 12 -16.240 0.390 5.916 1.00 0.00 O ATOM 1520 CB SER B 12 -16.206 -2.575 6.573 1.00 0.00 C ATOM 1521 OG SER B 12 -14.884 -2.973 6.224 1.00 0.00 O ATOM 0 H SER B 12 -18.181 -0.884 7.120 1.00 0.00 H new ATOM 0 HA SER B 12 -15.630 -1.590 8.410 1.00 0.00 H new ATOM 0 HB2 SER B 12 -16.723 -3.414 7.039 1.00 0.00 H new ATOM 0 HB3 SER B 12 -16.757 -2.325 5.667 1.00 0.00 H new ATOM 0 HG SER B 12 -14.735 -3.899 6.508 1.00 0.00 H new ATOM 1527 N PRO B 13 -14.522 0.341 7.322 1.00 0.00 N ATOM 1528 CA PRO B 13 -13.783 1.384 6.639 1.00 0.00 C ATOM 1529 C PRO B 13 -13.228 0.842 5.317 1.00 0.00 C ATOM 1530 O PRO B 13 -12.593 -0.229 5.283 1.00 0.00 O ATOM 1531 CB PRO B 13 -12.635 1.749 7.590 1.00 0.00 C ATOM 1532 CG PRO B 13 -12.700 0.799 8.744 1.00 0.00 C ATOM 1533 CD PRO B 13 -13.916 -0.068 8.584 1.00 0.00 C ATOM 0 HA PRO B 13 -14.404 2.248 6.403 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -11.674 1.672 7.081 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -12.732 2.779 7.933 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -11.800 0.185 8.780 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -12.748 1.349 9.684 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -13.646 -1.124 8.566 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -14.608 0.069 9.415 1.00 0.00 H new ATOM 1541 N ALA B 14 -13.505 1.527 4.245 1.00 0.00 N ATOM 1542 CA ALA B 14 -13.064 1.103 2.952 1.00 0.00 C ATOM 1543 C ALA B 14 -12.495 2.276 2.192 1.00 0.00 C ATOM 1544 O ALA B 14 -12.940 3.422 2.365 1.00 0.00 O ATOM 1545 CB ALA B 14 -14.221 0.479 2.183 1.00 0.00 C ATOM 0 H ALA B 14 -14.042 2.394 4.245 1.00 0.00 H new ATOM 0 HA ALA B 14 -12.283 0.352 3.070 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -13.874 0.160 1.200 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -14.600 -0.383 2.732 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -15.018 1.213 2.066 1.00 0.00 H new ATOM 1551 N VAL B 15 -11.502 2.014 1.397 1.00 0.00 N ATOM 1552 CA VAL B 15 -10.918 3.037 0.575 1.00 0.00 C ATOM 1553 C VAL B 15 -11.171 2.691 -0.890 1.00 0.00 C ATOM 1554 O VAL B 15 -11.162 1.505 -1.264 1.00 0.00 O ATOM 1555 CB VAL B 15 -9.384 3.239 0.863 1.00 0.00 C ATOM 1556 CG1 VAL B 15 -8.556 2.020 0.488 1.00 0.00 C ATOM 1557 CG2 VAL B 15 -8.845 4.496 0.183 1.00 0.00 C ATOM 0 H VAL B 15 -11.074 1.093 1.298 1.00 0.00 H new ATOM 0 HA VAL B 15 -11.391 3.989 0.815 1.00 0.00 H new ATOM 0 HB VAL B 15 -9.289 3.371 1.941 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -7.506 2.212 0.707 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -8.895 1.159 1.064 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -8.673 1.814 -0.576 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -7.783 4.603 0.404 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -8.985 4.415 -0.895 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -9.382 5.369 0.554 1.00 0.00 H new ATOM 1567 N ARG B 16 -11.465 3.695 -1.673 1.00 0.00 N ATOM 1568 CA ARG B 16 -11.731 3.535 -3.081 1.00 0.00 C ATOM 1569 C ARG B 16 -10.451 3.386 -3.890 1.00 0.00 C ATOM 1570 O ARG B 16 -9.529 4.198 -3.771 1.00 0.00 O ATOM 1571 CB ARG B 16 -12.495 4.732 -3.601 1.00 0.00 C ATOM 1572 CG ARG B 16 -13.909 4.844 -3.108 1.00 0.00 C ATOM 1573 CD ARG B 16 -14.566 6.044 -3.731 1.00 0.00 C ATOM 1574 NE ARG B 16 -15.973 6.204 -3.356 1.00 0.00 N ATOM 1575 CZ ARG B 16 -16.805 7.066 -3.940 1.00 0.00 C ATOM 1576 NH1 ARG B 16 -16.392 7.788 -4.976 1.00 0.00 N ATOM 1577 NH2 ARG B 16 -18.050 7.186 -3.514 1.00 0.00 N ATOM 0 H ARG B 16 -11.528 4.660 -1.348 1.00 0.00 H new ATOM 0 HA ARG B 16 -12.320 2.625 -3.195 1.00 0.00 H new ATOM 0 HB2 ARG B 16 -11.956 5.637 -3.322 1.00 0.00 H new ATOM 0 HB3 ARG B 16 -12.508 4.691 -4.690 1.00 0.00 H new ATOM 0 HG2 ARG B 16 -14.465 3.941 -3.359 1.00 0.00 H new ATOM 0 HG3 ARG B 16 -13.920 4.933 -2.022 1.00 0.00 H new ATOM 0 HD2 ARG B 16 -14.017 6.940 -3.440 1.00 0.00 H new ATOM 0 HD3 ARG B 16 -14.495 5.964 -4.816 1.00 0.00 H new ATOM 0 HE ARG B 16 -16.338 5.621 -2.603 1.00 0.00 H new ATOM 0 HH11 ARG B 16 -15.439 7.682 -5.324 1.00 0.00 H new ATOM 0 HH12 ARG B 16 -17.028 8.448 -5.424 1.00 0.00 H new ATOM 0 HH21 ARG B 16 -18.379 6.617 -2.734 1.00 0.00 H new ATOM 0 HH22 ARG B 16 -18.682 7.848 -3.965 1.00 0.00 H new ATOM 1591 N ILE B 17 -10.401 2.358 -4.695 1.00 0.00 N ATOM 1592 CA ILE B 17 -9.306 2.130 -5.608 1.00 0.00 C ATOM 1593 C ILE B 17 -9.792 2.466 -7.028 1.00 0.00 C ATOM 1594 O ILE B 17 -10.903 2.072 -7.409 1.00 0.00 O ATOM 1595 CB ILE B 17 -8.764 0.633 -5.551 1.00 0.00 C ATOM 1596 CG1 ILE B 17 -7.958 0.339 -4.283 1.00 0.00 C ATOM 1597 CG2 ILE B 17 -7.928 0.267 -6.742 1.00 0.00 C ATOM 1598 CD1 ILE B 17 -8.765 0.169 -3.061 1.00 0.00 C ATOM 0 H ILE B 17 -11.128 1.644 -4.738 1.00 0.00 H new ATOM 0 HA ILE B 17 -8.472 2.770 -5.318 1.00 0.00 H new ATOM 0 HB ILE B 17 -9.666 0.022 -5.549 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -7.373 -0.566 -4.444 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -7.250 1.152 -4.123 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -7.588 -0.764 -6.645 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -8.523 0.369 -7.649 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -7.064 0.930 -6.798 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -8.107 -0.036 -2.216 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -9.330 1.081 -2.868 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -9.455 -0.664 -3.194 1.00 0.00 H new ATOM 1610 N PRO B 18 -9.025 3.249 -7.809 1.00 0.00 N ATOM 1611 CA PRO B 18 -9.393 3.560 -9.180 1.00 0.00 C ATOM 1612 C PRO B 18 -9.390 2.301 -10.047 1.00 0.00 C ATOM 1613 O PRO B 18 -8.456 1.481 -9.973 1.00 0.00 O ATOM 1614 CB PRO B 18 -8.308 4.535 -9.672 1.00 0.00 C ATOM 1615 CG PRO B 18 -7.558 4.957 -8.454 1.00 0.00 C ATOM 1616 CD PRO B 18 -7.771 3.900 -7.406 1.00 0.00 C ATOM 0 HA PRO B 18 -10.396 3.982 -9.239 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -7.646 4.053 -10.391 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -8.753 5.394 -10.174 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -6.497 5.069 -8.676 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -7.913 5.925 -8.101 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -6.943 3.191 -7.380 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -7.849 4.335 -6.410 1.00 0.00 H new ATOM 1624 N ALA B 19 -10.402 2.165 -10.885 1.00 0.00 N ATOM 1625 CA ALA B 19 -10.542 1.021 -11.766 1.00 0.00 C ATOM 1626 C ALA B 19 -9.393 0.977 -12.760 1.00 0.00 C ATOM 1627 O ALA B 19 -8.994 -0.090 -13.218 1.00 0.00 O ATOM 1628 CB ALA B 19 -11.881 1.054 -12.475 1.00 0.00 C ATOM 0 H ALA B 19 -11.153 2.849 -10.973 1.00 0.00 H new ATOM 0 HA ALA B 19 -10.506 0.111 -11.167 1.00 0.00 H new ATOM 0 HB1 ALA B 19 -11.967 0.188 -13.131 1.00 0.00 H new ATOM 0 HB2 ALA B 19 -12.684 1.032 -11.738 1.00 0.00 H new ATOM 0 HB3 ALA B 19 -11.957 1.966 -13.067 1.00 0.00 H new ATOM 1634 N THR B 20 -8.839 2.139 -13.047 1.00 0.00 N ATOM 1635 CA THR B 20 -7.685 2.269 -13.900 1.00 0.00 C ATOM 1636 C THR B 20 -6.481 1.494 -13.298 1.00 0.00 C ATOM 1637 O THR B 20 -5.722 0.860 -14.013 1.00 0.00 O ATOM 1638 CB THR B 20 -7.338 3.757 -14.046 1.00 0.00 C ATOM 1639 OG1 THR B 20 -8.532 4.460 -14.402 1.00 0.00 O ATOM 1640 CG2 THR B 20 -6.292 3.977 -15.125 1.00 0.00 C ATOM 0 H THR B 20 -9.186 3.028 -12.687 1.00 0.00 H new ATOM 0 HA THR B 20 -7.907 1.847 -14.880 1.00 0.00 H new ATOM 0 HB THR B 20 -6.932 4.121 -13.102 1.00 0.00 H new ATOM 0 HG1 THR B 20 -8.333 5.415 -14.499 1.00 0.00 H new ATOM 0 HG21 THR B 20 -6.068 5.041 -15.203 1.00 0.00 H new ATOM 0 HG22 THR B 20 -5.383 3.433 -14.867 1.00 0.00 H new ATOM 0 HG23 THR B 20 -6.673 3.615 -16.080 1.00 0.00 H new ATOM 1648 N LEU B 21 -6.357 1.519 -11.973 1.00 0.00 N ATOM 1649 CA LEU B 21 -5.276 0.808 -11.281 1.00 0.00 C ATOM 1650 C LEU B 21 -5.583 -0.639 -11.186 1.00 0.00 C ATOM 1651 O LEU B 21 -4.693 -1.481 -11.244 1.00 0.00 O ATOM 1652 CB LEU B 21 -5.028 1.386 -9.904 1.00 0.00 C ATOM 1653 CG LEU B 21 -4.086 2.570 -9.839 1.00 0.00 C ATOM 1654 CD1 LEU B 21 -2.658 2.118 -10.116 1.00 0.00 C ATOM 1655 CD2 LEU B 21 -4.479 3.653 -10.826 1.00 0.00 C ATOM 0 H LEU B 21 -6.991 2.024 -11.353 1.00 0.00 H new ATOM 0 HA LEU B 21 -4.366 0.936 -11.867 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -5.986 1.686 -9.480 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -4.631 0.596 -9.267 1.00 0.00 H new ATOM 0 HG LEU B 21 -4.151 2.988 -8.835 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -1.989 2.977 -10.067 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -2.358 1.381 -9.371 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -2.604 1.672 -11.109 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -3.780 4.486 -10.750 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -4.454 3.249 -11.838 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -5.486 4.003 -10.600 1.00 0.00 H new ATOM 1667 N MET B 22 -6.847 -0.913 -11.043 1.00 0.00 N ATOM 1668 CA MET B 22 -7.359 -2.284 -11.067 1.00 0.00 C ATOM 1669 C MET B 22 -6.906 -2.965 -12.330 1.00 0.00 C ATOM 1670 O MET B 22 -6.328 -4.040 -12.300 1.00 0.00 O ATOM 1671 CB MET B 22 -8.883 -2.303 -10.997 1.00 0.00 C ATOM 1672 CG MET B 22 -9.475 -1.799 -9.700 1.00 0.00 C ATOM 1673 SD MET B 22 -9.224 -2.920 -8.332 1.00 0.00 S ATOM 1674 CE MET B 22 -10.147 -4.331 -8.934 1.00 0.00 C ATOM 0 H MET B 22 -7.566 -0.203 -10.905 1.00 0.00 H new ATOM 0 HA MET B 22 -6.969 -2.812 -10.197 1.00 0.00 H new ATOM 0 HB2 MET B 22 -9.276 -1.700 -11.816 1.00 0.00 H new ATOM 0 HB3 MET B 22 -9.225 -3.325 -11.161 1.00 0.00 H new ATOM 0 HG2 MET B 22 -9.032 -0.833 -9.456 1.00 0.00 H new ATOM 0 HG3 MET B 22 -10.544 -1.634 -9.835 1.00 0.00 H new ATOM 0 HE1 MET B 22 -10.374 -4.999 -8.103 1.00 0.00 H new ATOM 0 HE2 MET B 22 -11.077 -3.990 -9.389 1.00 0.00 H new ATOM 0 HE3 MET B 22 -9.553 -4.864 -9.677 1.00 0.00 H new ATOM 1684 N GLN B 23 -7.141 -2.308 -13.423 1.00 0.00 N ATOM 1685 CA GLN B 23 -6.712 -2.785 -14.716 1.00 0.00 C ATOM 1686 C GLN B 23 -5.204 -2.739 -14.842 1.00 0.00 C ATOM 1687 O GLN B 23 -4.609 -3.598 -15.481 1.00 0.00 O ATOM 1688 CB GLN B 23 -7.313 -1.942 -15.813 1.00 0.00 C ATOM 1689 CG GLN B 23 -8.811 -1.933 -15.825 1.00 0.00 C ATOM 1690 CD GLN B 23 -9.416 -3.320 -15.984 1.00 0.00 C ATOM 1691 OE1 GLN B 23 -8.832 -4.214 -16.598 1.00 0.00 O ATOM 1692 NE2 GLN B 23 -10.578 -3.512 -15.427 1.00 0.00 N ATOM 0 H GLN B 23 -7.639 -1.418 -13.451 1.00 0.00 H new ATOM 0 HA GLN B 23 -7.049 -3.817 -14.812 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -6.955 -0.918 -15.707 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -6.955 -2.307 -16.775 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -9.173 -1.490 -14.897 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -9.158 -1.297 -16.639 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -11.035 -2.751 -14.926 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -11.030 -4.424 -15.492 1.00 0.00 H new ATOM 1701 N ALA B 24 -4.586 -1.758 -14.204 1.00 0.00 N ATOM 1702 CA ALA B 24 -3.122 -1.549 -14.327 1.00 0.00 C ATOM 1703 C ALA B 24 -2.310 -2.705 -13.745 1.00 0.00 C ATOM 1704 O ALA B 24 -1.184 -2.964 -14.162 1.00 0.00 O ATOM 1705 CB ALA B 24 -2.698 -0.235 -13.692 1.00 0.00 C ATOM 0 H ALA B 24 -5.057 -1.089 -13.595 1.00 0.00 H new ATOM 0 HA ALA B 24 -2.909 -1.509 -15.395 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -1.620 -0.111 -13.798 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.209 0.590 -14.188 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -2.960 -0.241 -12.634 1.00 0.00 H new ATOM 1711 N LEU B 25 -2.874 -3.373 -12.778 1.00 0.00 N ATOM 1712 CA LEU B 25 -2.230 -4.511 -12.142 1.00 0.00 C ATOM 1713 C LEU B 25 -3.013 -5.786 -12.435 1.00 0.00 C ATOM 1714 O LEU B 25 -2.712 -6.869 -11.927 1.00 0.00 O ATOM 1715 CB LEU B 25 -2.143 -4.229 -10.664 1.00 0.00 C ATOM 1716 CG LEU B 25 -1.202 -3.082 -10.321 1.00 0.00 C ATOM 1717 CD1 LEU B 25 -1.694 -2.355 -9.114 1.00 0.00 C ATOM 1718 CD2 LEU B 25 0.191 -3.624 -10.058 1.00 0.00 C ATOM 0 H LEU B 25 -3.795 -3.151 -12.401 1.00 0.00 H new ATOM 0 HA LEU B 25 -1.224 -4.660 -12.535 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -3.139 -3.997 -10.287 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -1.809 -5.130 -10.149 1.00 0.00 H new ATOM 0 HG LEU B 25 -1.169 -2.389 -11.162 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -1.013 -1.537 -8.879 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -2.688 -1.954 -9.311 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -1.741 -3.042 -8.269 1.00 0.00 H new ATOM 0 HD21 LEU B 25 0.862 -2.800 -9.813 1.00 0.00 H new ATOM 0 HD22 LEU B 25 0.157 -4.325 -9.224 1.00 0.00 H new ATOM 0 HD23 LEU B 25 0.556 -4.137 -10.948 1.00 0.00 H new ATOM 1730 N ASN B 26 -4.003 -5.607 -13.292 1.00 0.00 N ATOM 1731 CA ASN B 26 -4.950 -6.616 -13.762 1.00 0.00 C ATOM 1732 C ASN B 26 -5.558 -7.458 -12.644 1.00 0.00 C ATOM 1733 O ASN B 26 -5.325 -8.681 -12.531 1.00 0.00 O ATOM 1734 CB ASN B 26 -4.412 -7.482 -14.912 1.00 0.00 C ATOM 1735 CG ASN B 26 -5.522 -8.296 -15.579 1.00 0.00 C ATOM 1736 OD1 ASN B 26 -6.674 -7.861 -15.644 1.00 0.00 O ATOM 1737 ND2 ASN B 26 -5.201 -9.457 -16.065 1.00 0.00 N ATOM 0 H ASN B 26 -4.183 -4.694 -13.709 1.00 0.00 H new ATOM 0 HA ASN B 26 -5.771 -6.034 -14.181 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -3.934 -6.843 -15.655 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -3.646 -8.157 -14.531 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -5.910 -10.035 -16.515 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -4.239 -9.790 -15.996 1.00 0.00 H new ATOM 1744 N LEU B 27 -6.264 -6.797 -11.780 1.00 0.00 N ATOM 1745 CA LEU B 27 -7.003 -7.434 -10.787 1.00 0.00 C ATOM 1746 C LEU B 27 -8.457 -7.104 -11.000 1.00 0.00 C ATOM 1747 O LEU B 27 -8.786 -6.091 -11.632 1.00 0.00 O ATOM 1748 CB LEU B 27 -6.564 -7.058 -9.388 1.00 0.00 C ATOM 1749 CG LEU B 27 -6.625 -5.596 -8.996 1.00 0.00 C ATOM 1750 CD1 LEU B 27 -7.009 -5.516 -7.551 1.00 0.00 C ATOM 1751 CD2 LEU B 27 -5.274 -4.939 -9.196 1.00 0.00 C ATOM 0 H LEU B 27 -6.330 -5.779 -11.763 1.00 0.00 H new ATOM 0 HA LEU B 27 -6.835 -8.508 -10.868 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -7.177 -7.619 -8.683 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -5.536 -7.397 -9.257 1.00 0.00 H new ATOM 0 HG LEU B 27 -7.356 -5.079 -9.618 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -7.059 -4.471 -7.245 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -7.983 -5.984 -7.407 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -6.264 -6.035 -6.947 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -5.334 -3.889 -8.910 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -4.530 -5.441 -8.578 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -4.985 -5.014 -10.244 1.00 0.00 H new ATOM 1763 N ASN B 28 -9.319 -7.934 -10.515 1.00 0.00 N ATOM 1764 CA ASN B 28 -10.744 -7.746 -10.712 1.00 0.00 C ATOM 1765 C ASN B 28 -11.458 -7.751 -9.375 1.00 0.00 C ATOM 1766 O ASN B 28 -10.819 -7.863 -8.332 1.00 0.00 O ATOM 1767 CB ASN B 28 -11.330 -8.842 -11.632 1.00 0.00 C ATOM 1768 CG ASN B 28 -10.799 -8.839 -13.077 1.00 0.00 C ATOM 1769 OD1 ASN B 28 -10.743 -9.887 -13.726 1.00 0.00 O ATOM 1770 ND2 ASN B 28 -10.419 -7.697 -13.594 1.00 0.00 N ATOM 0 H ASN B 28 -9.072 -8.761 -9.972 1.00 0.00 H new ATOM 0 HA ASN B 28 -10.895 -6.781 -11.197 1.00 0.00 H new ATOM 0 HB2 ASN B 28 -11.123 -9.816 -11.188 1.00 0.00 H new ATOM 0 HB3 ASN B 28 -12.414 -8.729 -11.660 1.00 0.00 H new ATOM 0 HD21 ASN B 28 -10.068 -7.662 -14.551 1.00 0.00 H new ATOM 0 HD22 ASN B 28 -10.474 -6.843 -13.039 1.00 0.00 H new ATOM 1777 N ILE B 29 -12.766 -7.601 -9.399 1.00 0.00 N ATOM 1778 CA ILE B 29 -13.565 -7.634 -8.183 1.00 0.00 C ATOM 1779 C ILE B 29 -13.569 -9.054 -7.587 1.00 0.00 C ATOM 1780 O ILE B 29 -13.626 -10.059 -8.326 1.00 0.00 O ATOM 1781 CB ILE B 29 -15.026 -7.120 -8.437 1.00 0.00 C ATOM 1782 CG1 ILE B 29 -15.029 -5.627 -8.831 1.00 0.00 C ATOM 1783 CG2 ILE B 29 -15.943 -7.346 -7.232 1.00 0.00 C ATOM 1784 CD1 ILE B 29 -14.486 -4.689 -7.767 1.00 0.00 C ATOM 0 H ILE B 29 -13.305 -7.454 -10.252 1.00 0.00 H new ATOM 0 HA ILE B 29 -13.110 -6.957 -7.460 1.00 0.00 H new ATOM 0 HB ILE B 29 -15.420 -7.708 -9.266 1.00 0.00 H new ATOM 0 HG12 ILE B 29 -14.440 -5.504 -9.740 1.00 0.00 H new ATOM 0 HG13 ILE B 29 -16.050 -5.330 -9.071 1.00 0.00 H new ATOM 0 HG21 ILE B 29 -16.942 -6.973 -7.460 1.00 0.00 H new ATOM 0 HG22 ILE B 29 -15.996 -8.412 -7.010 1.00 0.00 H new ATOM 0 HG23 ILE B 29 -15.545 -6.814 -6.367 1.00 0.00 H new ATOM 0 HD11 ILE B 29 -14.527 -3.663 -8.132 1.00 0.00 H new ATOM 0 HD12 ILE B 29 -15.088 -4.777 -6.863 1.00 0.00 H new ATOM 0 HD13 ILE B 29 -13.453 -4.953 -7.542 1.00 0.00 H new ATOM 1796 N ASP B 30 -13.459 -9.101 -6.265 1.00 0.00 N ATOM 1797 CA ASP B 30 -13.410 -10.311 -5.442 1.00 0.00 C ATOM 1798 C ASP B 30 -12.117 -11.043 -5.612 1.00 0.00 C ATOM 1799 O ASP B 30 -12.024 -12.244 -5.357 1.00 0.00 O ATOM 1800 CB ASP B 30 -14.620 -11.242 -5.617 1.00 0.00 C ATOM 1801 CG ASP B 30 -15.886 -10.698 -4.994 1.00 0.00 C ATOM 1802 OD1 ASP B 30 -16.023 -10.728 -3.743 1.00 0.00 O ATOM 1803 OD2 ASP B 30 -16.787 -10.276 -5.730 1.00 0.00 O ATOM 0 H ASP B 30 -13.398 -8.251 -5.704 1.00 0.00 H new ATOM 0 HA ASP B 30 -13.467 -9.960 -4.412 1.00 0.00 H new ATOM 0 HB2 ASP B 30 -14.790 -11.411 -6.680 1.00 0.00 H new ATOM 0 HB3 ASP B 30 -14.392 -12.211 -5.173 1.00 0.00 H new ATOM 1808 N ASP B 31 -11.087 -10.311 -5.985 1.00 0.00 N ATOM 1809 CA ASP B 31 -9.794 -10.888 -6.120 1.00 0.00 C ATOM 1810 C ASP B 31 -9.121 -10.680 -4.791 1.00 0.00 C ATOM 1811 O ASP B 31 -9.342 -9.645 -4.135 1.00 0.00 O ATOM 1812 CB ASP B 31 -9.011 -10.210 -7.237 1.00 0.00 C ATOM 1813 CG ASP B 31 -7.998 -11.125 -7.894 1.00 0.00 C ATOM 1814 OD1 ASP B 31 -7.350 -11.916 -7.213 1.00 0.00 O ATOM 1815 OD2 ASP B 31 -7.905 -11.117 -9.154 1.00 0.00 O ATOM 0 H ASP B 31 -11.135 -9.314 -6.197 1.00 0.00 H new ATOM 0 HA ASP B 31 -9.850 -11.945 -6.382 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -9.708 -9.848 -7.993 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -8.496 -9.338 -6.834 1.00 0.00 H new ATOM 1820 N GLU B 32 -8.342 -11.617 -4.397 1.00 0.00 N ATOM 1821 CA GLU B 32 -7.768 -11.659 -3.086 1.00 0.00 C ATOM 1822 C GLU B 32 -6.458 -10.884 -3.027 1.00 0.00 C ATOM 1823 O GLU B 32 -5.629 -10.974 -3.942 1.00 0.00 O ATOM 1824 CB GLU B 32 -7.612 -13.124 -2.664 1.00 0.00 C ATOM 1825 CG GLU B 32 -6.886 -13.342 -1.364 1.00 0.00 C ATOM 1826 CD GLU B 32 -6.964 -14.772 -0.901 1.00 0.00 C ATOM 1827 OE1 GLU B 32 -6.134 -15.622 -1.335 1.00 0.00 O ATOM 1828 OE2 GLU B 32 -7.864 -15.086 -0.103 1.00 0.00 O ATOM 0 H GLU B 32 -8.072 -12.404 -4.988 1.00 0.00 H new ATOM 0 HA GLU B 32 -8.431 -11.165 -2.375 1.00 0.00 H new ATOM 0 HB2 GLU B 32 -8.603 -13.571 -2.588 1.00 0.00 H new ATOM 0 HB3 GLU B 32 -7.081 -13.658 -3.452 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -5.841 -13.057 -1.482 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -7.310 -12.691 -0.600 1.00 0.00 H new ATOM 1835 N VAL B 33 -6.287 -10.081 -1.976 1.00 0.00 N ATOM 1836 CA VAL B 33 -5.085 -9.283 -1.840 1.00 0.00 C ATOM 1837 C VAL B 33 -4.537 -9.352 -0.425 1.00 0.00 C ATOM 1838 O VAL B 33 -5.273 -9.666 0.519 1.00 0.00 O ATOM 1839 CB VAL B 33 -5.263 -7.772 -2.292 1.00 0.00 C ATOM 1840 CG1 VAL B 33 -6.139 -7.652 -3.514 1.00 0.00 C ATOM 1841 CG2 VAL B 33 -5.827 -6.892 -1.198 1.00 0.00 C ATOM 0 H VAL B 33 -6.961 -9.972 -1.219 1.00 0.00 H new ATOM 0 HA VAL B 33 -4.363 -9.725 -2.527 1.00 0.00 H new ATOM 0 HB VAL B 33 -4.257 -7.424 -2.528 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -6.236 -6.602 -3.791 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -5.690 -8.205 -4.339 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -7.125 -8.062 -3.296 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -5.926 -5.871 -1.567 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -6.806 -7.266 -0.899 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -5.156 -6.904 -0.339 1.00 0.00 H new ATOM 1851 N LYS B 34 -3.246 -9.109 -0.300 1.00 0.00 N ATOM 1852 CA LYS B 34 -2.591 -9.031 0.986 1.00 0.00 C ATOM 1853 C LYS B 34 -2.489 -7.577 1.424 1.00 0.00 C ATOM 1854 O LYS B 34 -2.086 -6.705 0.635 1.00 0.00 O ATOM 1855 CB LYS B 34 -1.170 -9.597 0.925 1.00 0.00 C ATOM 1856 CG LYS B 34 -1.063 -11.081 0.608 1.00 0.00 C ATOM 1857 CD LYS B 34 0.400 -11.530 0.526 1.00 0.00 C ATOM 1858 CE LYS B 34 1.129 -10.836 -0.618 1.00 0.00 C ATOM 1859 NZ LYS B 34 2.568 -11.167 -0.680 1.00 0.00 N ATOM 0 H LYS B 34 -2.622 -8.960 -1.093 1.00 0.00 H new ATOM 0 HA LYS B 34 -3.185 -9.614 1.690 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -0.610 -9.042 0.172 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -0.684 -9.413 1.883 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -1.580 -11.657 1.376 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -1.563 -11.290 -0.338 1.00 0.00 H new ATOM 0 HD2 LYS B 34 0.903 -11.310 1.467 1.00 0.00 H new ATOM 0 HD3 LYS B 34 0.444 -12.610 0.386 1.00 0.00 H new ATOM 0 HE2 LYS B 34 0.658 -11.114 -1.561 1.00 0.00 H new ATOM 0 HE3 LYS B 34 1.016 -9.757 -0.511 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 3.026 -10.588 -1.412 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 3.009 -10.972 0.242 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 2.683 -12.174 -0.913 1.00 0.00 H new ATOM 1873 N ILE B 35 -2.873 -7.330 2.645 1.00 0.00 N ATOM 1874 CA ILE B 35 -2.729 -6.048 3.280 1.00 0.00 C ATOM 1875 C ILE B 35 -1.747 -6.243 4.408 1.00 0.00 C ATOM 1876 O ILE B 35 -1.896 -7.179 5.218 1.00 0.00 O ATOM 1877 CB ILE B 35 -4.069 -5.478 3.904 1.00 0.00 C ATOM 1878 CG1 ILE B 35 -5.174 -5.255 2.860 1.00 0.00 C ATOM 1879 CG2 ILE B 35 -3.816 -4.173 4.653 1.00 0.00 C ATOM 1880 CD1 ILE B 35 -5.855 -6.495 2.383 1.00 0.00 C ATOM 0 H ILE B 35 -3.307 -8.033 3.243 1.00 0.00 H new ATOM 0 HA ILE B 35 -2.410 -5.332 2.522 1.00 0.00 H new ATOM 0 HB ILE B 35 -4.418 -6.242 4.599 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -5.924 -4.588 3.285 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -4.742 -4.743 2.000 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -4.753 -3.805 5.070 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -3.104 -4.348 5.459 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -3.410 -3.432 3.965 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -6.617 -6.232 1.650 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -5.123 -7.158 1.923 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -6.323 -7.001 3.227 1.00 0.00 H new ATOM 1892 N ASP B 36 -0.739 -5.440 4.448 1.00 0.00 N ATOM 1893 CA ASP B 36 0.219 -5.525 5.526 1.00 0.00 C ATOM 1894 C ASP B 36 0.561 -4.126 5.973 1.00 0.00 C ATOM 1895 O ASP B 36 0.478 -3.183 5.178 1.00 0.00 O ATOM 1896 CB ASP B 36 1.497 -6.230 5.071 1.00 0.00 C ATOM 1897 CG ASP B 36 2.187 -6.959 6.214 1.00 0.00 C ATOM 1898 OD1 ASP B 36 2.449 -6.343 7.277 1.00 0.00 O ATOM 1899 OD2 ASP B 36 2.420 -8.195 6.076 1.00 0.00 O ATOM 0 H ASP B 36 -0.547 -4.716 3.756 1.00 0.00 H new ATOM 0 HA ASP B 36 -0.218 -6.099 6.343 1.00 0.00 H new ATOM 0 HB2 ASP B 36 1.256 -6.941 4.281 1.00 0.00 H new ATOM 0 HB3 ASP B 36 2.182 -5.498 4.643 1.00 0.00 H new ATOM 1904 N LEU B 37 0.898 -3.967 7.221 1.00 0.00 N ATOM 1905 CA LEU B 37 1.311 -2.755 7.721 1.00 0.00 C ATOM 1906 C LEU B 37 2.798 -2.798 7.738 1.00 0.00 C ATOM 1907 O LEU B 37 3.403 -3.604 8.438 1.00 0.00 O ATOM 1908 CB LEU B 37 0.755 -2.559 9.115 1.00 0.00 C ATOM 1909 CG LEU B 37 1.018 -1.224 9.817 1.00 0.00 C ATOM 1910 CD1 LEU B 37 2.427 -1.118 10.365 1.00 0.00 C ATOM 1911 CD2 LEU B 37 0.721 -0.094 8.891 1.00 0.00 C ATOM 0 H LEU B 37 0.881 -4.718 7.911 1.00 0.00 H new ATOM 0 HA LEU B 37 0.957 -1.922 7.114 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -0.324 -2.703 9.066 1.00 0.00 H new ATOM 0 HB3 LEU B 37 1.154 -3.352 9.747 1.00 0.00 H new ATOM 0 HG LEU B 37 0.349 -1.171 10.676 1.00 0.00 H new ATOM 0 HD11 LEU B 37 2.556 -0.151 10.852 1.00 0.00 H new ATOM 0 HD12 LEU B 37 2.597 -1.915 11.089 1.00 0.00 H new ATOM 0 HD13 LEU B 37 3.143 -1.212 9.548 1.00 0.00 H new ATOM 0 HD21 LEU B 37 0.911 0.852 9.399 1.00 0.00 H new ATOM 0 HD22 LEU B 37 1.359 -0.168 8.010 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -0.325 -0.139 8.586 1.00 0.00 H new ATOM 1923 N VAL B 38 3.360 -1.932 7.033 1.00 0.00 N ATOM 1924 CA VAL B 38 4.793 -1.895 6.853 1.00 0.00 C ATOM 1925 C VAL B 38 5.229 -0.462 6.808 1.00 0.00 C ATOM 1926 O VAL B 38 4.619 0.331 6.106 1.00 0.00 O ATOM 1927 CB VAL B 38 5.255 -2.598 5.520 1.00 0.00 C ATOM 1928 CG1 VAL B 38 6.774 -2.572 5.371 1.00 0.00 C ATOM 1929 CG2 VAL B 38 4.750 -4.034 5.410 1.00 0.00 C ATOM 0 H VAL B 38 2.859 -1.195 6.537 1.00 0.00 H new ATOM 0 HA VAL B 38 5.245 -2.433 7.686 1.00 0.00 H new ATOM 0 HB VAL B 38 4.809 -2.024 4.708 1.00 0.00 H new ATOM 0 HG11 VAL B 38 7.057 -3.065 4.441 1.00 0.00 H new ATOM 0 HG12 VAL B 38 7.120 -1.539 5.354 1.00 0.00 H new ATOM 0 HG13 VAL B 38 7.231 -3.094 6.212 1.00 0.00 H new ATOM 0 HG21 VAL B 38 5.097 -4.471 4.474 1.00 0.00 H new ATOM 0 HG22 VAL B 38 5.132 -4.619 6.247 1.00 0.00 H new ATOM 0 HG23 VAL B 38 3.660 -4.039 5.431 1.00 0.00 H new ATOM 1939 N ASP B 39 6.225 -0.115 7.622 1.00 0.00 N ATOM 1940 CA ASP B 39 6.855 1.233 7.626 1.00 0.00 C ATOM 1941 C ASP B 39 5.819 2.362 7.921 1.00 0.00 C ATOM 1942 O ASP B 39 6.013 3.531 7.597 1.00 0.00 O ATOM 1943 CB ASP B 39 7.630 1.448 6.280 1.00 0.00 C ATOM 1944 CG ASP B 39 8.400 2.759 6.180 1.00 0.00 C ATOM 1945 OD1 ASP B 39 9.287 3.011 7.031 1.00 0.00 O ATOM 1946 OD2 ASP B 39 8.158 3.542 5.229 1.00 0.00 O ATOM 0 H ASP B 39 6.630 -0.754 8.306 1.00 0.00 H new ATOM 0 HA ASP B 39 7.575 1.288 8.442 1.00 0.00 H new ATOM 0 HB2 ASP B 39 8.329 0.623 6.146 1.00 0.00 H new ATOM 0 HB3 ASP B 39 6.917 1.399 5.457 1.00 0.00 H new ATOM 1951 N GLY B 40 4.724 1.990 8.559 1.00 0.00 N ATOM 1952 CA GLY B 40 3.732 2.966 8.947 1.00 0.00 C ATOM 1953 C GLY B 40 2.699 3.236 7.872 1.00 0.00 C ATOM 1954 O GLY B 40 1.978 4.234 7.933 1.00 0.00 O ATOM 0 H GLY B 40 4.504 1.028 8.816 1.00 0.00 H new ATOM 0 HA2 GLY B 40 3.226 2.620 9.848 1.00 0.00 H new ATOM 0 HA3 GLY B 40 4.233 3.900 9.202 1.00 0.00 H new ATOM 1958 N LYS B 41 2.625 2.369 6.885 1.00 0.00 N ATOM 1959 CA LYS B 41 1.631 2.505 5.847 1.00 0.00 C ATOM 1960 C LYS B 41 1.053 1.160 5.511 1.00 0.00 C ATOM 1961 O LYS B 41 1.641 0.115 5.848 1.00 0.00 O ATOM 1962 CB LYS B 41 2.150 3.213 4.561 1.00 0.00 C ATOM 1963 CG LYS B 41 3.398 2.607 3.902 1.00 0.00 C ATOM 1964 CD LYS B 41 4.688 3.071 4.570 1.00 0.00 C ATOM 1965 CE LYS B 41 4.990 4.513 4.246 1.00 0.00 C ATOM 1966 NZ LYS B 41 6.043 5.076 5.107 1.00 0.00 N ATOM 0 H LYS B 41 3.242 1.563 6.781 1.00 0.00 H new ATOM 0 HA LYS B 41 0.855 3.156 6.250 1.00 0.00 H new ATOM 0 HB2 LYS B 41 1.345 3.219 3.826 1.00 0.00 H new ATOM 0 HB3 LYS B 41 2.365 4.253 4.807 1.00 0.00 H new ATOM 0 HG2 LYS B 41 3.339 1.520 3.948 1.00 0.00 H new ATOM 0 HG3 LYS B 41 3.419 2.881 2.847 1.00 0.00 H new ATOM 0 HD2 LYS B 41 4.604 2.949 5.650 1.00 0.00 H new ATOM 0 HD3 LYS B 41 5.516 2.442 4.242 1.00 0.00 H new ATOM 0 HE2 LYS B 41 5.298 4.591 3.203 1.00 0.00 H new ATOM 0 HE3 LYS B 41 4.081 5.105 4.355 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 6.017 6.114 5.053 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 5.885 4.776 6.090 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 6.972 4.736 4.787 1.00 0.00 H new ATOM 1980 N LEU B 42 -0.080 1.177 4.877 1.00 0.00 N ATOM 1981 CA LEU B 42 -0.743 -0.024 4.493 1.00 0.00 C ATOM 1982 C LEU B 42 -0.342 -0.385 3.115 1.00 0.00 C ATOM 1983 O LEU B 42 -0.502 0.382 2.163 1.00 0.00 O ATOM 1984 CB LEU B 42 -2.251 0.102 4.631 1.00 0.00 C ATOM 1985 CG LEU B 42 -2.747 0.184 6.062 1.00 0.00 C ATOM 1986 CD1 LEU B 42 -4.192 0.647 6.106 1.00 0.00 C ATOM 1987 CD2 LEU B 42 -2.617 -1.170 6.751 1.00 0.00 C ATOM 0 H LEU B 42 -0.570 2.031 4.612 1.00 0.00 H new ATOM 0 HA LEU B 42 -0.441 -0.827 5.165 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -2.579 0.992 4.095 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -2.720 -0.754 4.146 1.00 0.00 H new ATOM 0 HG LEU B 42 -2.131 0.911 6.590 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -4.526 0.698 7.142 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -4.272 1.634 5.650 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -4.817 -0.058 5.558 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -2.977 -1.092 7.777 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -3.209 -1.910 6.213 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -1.571 -1.477 6.756 1.00 0.00 H new ATOM 1999 N ILE B 43 0.227 -1.502 3.027 1.00 0.00 N ATOM 2000 CA ILE B 43 0.728 -2.011 1.802 1.00 0.00 C ATOM 2001 C ILE B 43 -0.289 -2.965 1.227 1.00 0.00 C ATOM 2002 O ILE B 43 -0.662 -3.955 1.863 1.00 0.00 O ATOM 2003 CB ILE B 43 2.068 -2.730 2.040 1.00 0.00 C ATOM 2004 CG1 ILE B 43 3.077 -1.800 2.739 1.00 0.00 C ATOM 2005 CG2 ILE B 43 2.642 -3.317 0.766 1.00 0.00 C ATOM 2006 CD1 ILE B 43 3.429 -0.518 1.993 1.00 0.00 C ATOM 0 H ILE B 43 0.371 -2.123 3.823 1.00 0.00 H new ATOM 0 HA ILE B 43 0.901 -1.195 1.100 1.00 0.00 H new ATOM 0 HB ILE B 43 1.867 -3.570 2.705 1.00 0.00 H new ATOM 0 HG12 ILE B 43 2.676 -1.530 3.716 1.00 0.00 H new ATOM 0 HG13 ILE B 43 3.996 -2.359 2.914 1.00 0.00 H new ATOM 0 HG21 ILE B 43 3.587 -3.813 0.987 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.941 -4.041 0.351 1.00 0.00 H new ATOM 0 HG23 ILE B 43 2.812 -2.520 0.042 1.00 0.00 H new ATOM 0 HD11 ILE B 43 4.146 0.058 2.578 1.00 0.00 H new ATOM 0 HD12 ILE B 43 3.866 -0.768 1.026 1.00 0.00 H new ATOM 0 HD13 ILE B 43 2.526 0.074 1.841 1.00 0.00 H new ATOM 2018 N ILE B 44 -0.757 -2.632 0.072 1.00 0.00 N ATOM 2019 CA ILE B 44 -1.770 -3.406 -0.625 1.00 0.00 C ATOM 2020 C ILE B 44 -1.131 -4.086 -1.826 1.00 0.00 C ATOM 2021 O ILE B 44 -0.805 -3.433 -2.832 1.00 0.00 O ATOM 2022 CB ILE B 44 -2.932 -2.498 -1.134 1.00 0.00 C ATOM 2023 CG1 ILE B 44 -3.528 -1.641 -0.002 1.00 0.00 C ATOM 2024 CG2 ILE B 44 -4.027 -3.323 -1.818 1.00 0.00 C ATOM 2025 CD1 ILE B 44 -4.141 -2.414 1.140 1.00 0.00 C ATOM 0 H ILE B 44 -0.452 -1.802 -0.437 1.00 0.00 H new ATOM 0 HA ILE B 44 -2.178 -4.138 0.072 1.00 0.00 H new ATOM 0 HB ILE B 44 -2.503 -1.821 -1.873 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -2.743 -0.998 0.396 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -4.290 -0.987 -0.427 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -4.821 -2.660 -2.161 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -3.604 -3.853 -2.671 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -4.436 -4.043 -1.109 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -4.531 -1.718 1.883 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -4.953 -3.036 0.764 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -3.382 -3.047 1.600 1.00 0.00 H new ATOM 2037 N GLU B 45 -0.933 -5.362 -1.726 1.00 0.00 N ATOM 2038 CA GLU B 45 -0.318 -6.120 -2.790 1.00 0.00 C ATOM 2039 C GLU B 45 -1.236 -7.287 -3.178 1.00 0.00 C ATOM 2040 O GLU B 45 -1.532 -8.160 -2.345 1.00 0.00 O ATOM 2041 CB GLU B 45 1.055 -6.635 -2.330 1.00 0.00 C ATOM 2042 CG GLU B 45 1.795 -7.533 -3.314 1.00 0.00 C ATOM 2043 CD GLU B 45 3.077 -8.082 -2.724 1.00 0.00 C ATOM 2044 OE1 GLU B 45 3.982 -7.293 -2.404 1.00 0.00 O ATOM 2045 OE2 GLU B 45 3.196 -9.317 -2.539 1.00 0.00 O ATOM 0 H GLU B 45 -1.190 -5.916 -0.909 1.00 0.00 H new ATOM 0 HA GLU B 45 -0.172 -5.484 -3.663 1.00 0.00 H new ATOM 0 HB2 GLU B 45 1.687 -5.776 -2.107 1.00 0.00 H new ATOM 0 HB3 GLU B 45 0.922 -7.183 -1.398 1.00 0.00 H new ATOM 0 HG2 GLU B 45 1.148 -8.359 -3.609 1.00 0.00 H new ATOM 0 HG3 GLU B 45 2.024 -6.969 -4.218 1.00 0.00 H new ATOM 2052 N PRO B 46 -1.752 -7.262 -4.414 1.00 0.00 N ATOM 2053 CA PRO B 46 -2.590 -8.294 -4.948 1.00 0.00 C ATOM 2054 C PRO B 46 -1.911 -9.629 -4.922 1.00 0.00 C ATOM 2055 O PRO B 46 -0.674 -9.728 -5.033 1.00 0.00 O ATOM 2056 CB PRO B 46 -2.863 -7.888 -6.389 1.00 0.00 C ATOM 2057 CG PRO B 46 -1.969 -6.784 -6.650 1.00 0.00 C ATOM 2058 CD PRO B 46 -1.590 -6.191 -5.328 1.00 0.00 C ATOM 0 HA PRO B 46 -3.501 -8.396 -4.358 1.00 0.00 H new ATOM 0 HB2 PRO B 46 -2.676 -8.716 -7.073 1.00 0.00 H new ATOM 0 HB3 PRO B 46 -3.903 -7.592 -6.524 1.00 0.00 H new ATOM 0 HG2 PRO B 46 -1.083 -7.126 -7.185 1.00 0.00 H new ATOM 0 HG3 PRO B 46 -2.454 -6.038 -7.280 1.00 0.00 H new ATOM 0 HD2 PRO B 46 -0.564 -5.823 -5.335 1.00 0.00 H new ATOM 0 HD3 PRO B 46 -2.229 -5.346 -5.071 1.00 0.00 H new ATOM 2066 N VAL B 47 -2.677 -10.631 -4.814 1.00 0.00 N ATOM 2067 CA VAL B 47 -2.130 -11.955 -4.723 1.00 0.00 C ATOM 2068 C VAL B 47 -2.046 -12.507 -6.104 1.00 0.00 C ATOM 2069 O VAL B 47 -3.061 -12.722 -6.764 1.00 0.00 O ATOM 2070 CB VAL B 47 -2.929 -12.931 -3.816 1.00 0.00 C ATOM 2071 CG1 VAL B 47 -2.176 -14.217 -3.654 1.00 0.00 C ATOM 2072 CG2 VAL B 47 -3.176 -12.350 -2.454 1.00 0.00 C ATOM 0 H VAL B 47 -3.695 -10.582 -4.784 1.00 0.00 H new ATOM 0 HA VAL B 47 -1.152 -11.866 -4.249 1.00 0.00 H new ATOM 0 HB VAL B 47 -3.888 -13.108 -4.302 1.00 0.00 H new ATOM 0 HG11 VAL B 47 -2.745 -14.894 -3.017 1.00 0.00 H new ATOM 0 HG12 VAL B 47 -2.028 -14.677 -4.631 1.00 0.00 H new ATOM 0 HG13 VAL B 47 -1.207 -14.016 -3.197 1.00 0.00 H new ATOM 0 HG21 VAL B 47 -3.737 -13.063 -1.851 1.00 0.00 H new ATOM 0 HG22 VAL B 47 -2.222 -12.137 -1.971 1.00 0.00 H new ATOM 0 HG23 VAL B 47 -3.748 -11.427 -2.550 1.00 0.00 H new