USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 487 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 21 GLN :FLIP amide:sc= 0.353 F(o=-0.28,f=0.35) USER MOD Single : A 23 LYS NZ :NH3+ 163:sc= -0.0516 (180deg=-0.31) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.479 X(o=-0.48,f=-0.017) USER MOD Single : A 34 ASN : amide:sc= -0.84! C(o=-0.84!,f=-3.7!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -64:sc= 0.395 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 140:sc= -0.441 (180deg=-1.56!) USER MOD Single : A 46 SER OG : rot -37:sc= -0.0835 USER MOD Single : A 47 ASN :FLIP amide:sc= 0.537 F(o=-0.013,f=0.54) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -4.9! C(o=-4.9!,f=-4.9!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 152:sc= -0.143 (180deg=-0.741) USER MOD Single : A 59 ASN : amide:sc= -0.192 K(o=-0.19,f=-1.9!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -150:sc= -0.33 (180deg=-1.51!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 151:sc= -1.71 (180deg=-4.5!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 242 N GLN A 21 7.031 8.834 1.773 1.00 0.00 N ATOM 243 CA GLN A 21 6.720 7.473 2.193 1.00 0.00 C ATOM 244 C GLN A 21 6.453 6.579 0.986 1.00 0.00 C ATOM 245 O GLN A 21 6.806 5.400 0.986 1.00 0.00 O ATOM 246 CB GLN A 21 5.506 7.469 3.123 1.00 0.00 C ATOM 247 CG GLN A 21 5.859 7.689 4.585 1.00 0.00 C ATOM 248 CD GLN A 21 6.039 9.155 4.928 1.00 0.00 C ATOM 249 OE1 GLN A 21 5.219 9.654 5.845 1.00 0.00 O flip ATOM 250 NE2 GLN A 21 6.906 9.831 4.373 1.00 0.00 N flip ATOM 0 HA GLN A 21 7.582 7.079 2.731 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.812 8.247 2.804 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.985 6.517 3.023 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.074 7.267 5.212 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.777 7.150 4.818 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.514 9.406 3.674 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.016 10.816 4.613 1.00 0.00 H new ATOM 259 N GLU A 22 5.829 7.149 -0.040 1.00 0.00 N ATOM 260 CA GLU A 22 5.515 6.402 -1.252 1.00 0.00 C ATOM 261 C GLU A 22 6.787 5.889 -1.921 1.00 0.00 C ATOM 262 O GLU A 22 6.742 4.990 -2.761 1.00 0.00 O ATOM 263 CB GLU A 22 4.731 7.280 -2.230 1.00 0.00 C ATOM 264 CG GLU A 22 3.978 6.490 -3.288 1.00 0.00 C ATOM 265 CD GLU A 22 3.763 7.282 -4.563 1.00 0.00 C ATOM 266 OE1 GLU A 22 4.674 7.291 -5.417 1.00 0.00 O ATOM 267 OE2 GLU A 22 2.683 7.893 -4.708 1.00 0.00 O ATOM 0 H GLU A 22 5.531 8.124 -0.056 1.00 0.00 H new ATOM 0 HA GLU A 22 4.902 5.546 -0.971 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.022 7.889 -1.670 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.420 7.966 -2.723 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.531 5.580 -3.519 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.012 6.183 -2.888 1.00 0.00 H new ATOM 274 N LYS A 23 7.922 6.467 -1.542 1.00 0.00 N ATOM 275 CA LYS A 23 9.208 6.070 -2.102 1.00 0.00 C ATOM 276 C LYS A 23 9.754 4.837 -1.389 1.00 0.00 C ATOM 277 O LYS A 23 10.403 3.989 -2.004 1.00 0.00 O ATOM 278 CB LYS A 23 10.211 7.221 -1.994 1.00 0.00 C ATOM 279 CG LYS A 23 11.026 7.200 -0.712 1.00 0.00 C ATOM 280 CD LYS A 23 11.503 8.591 -0.331 1.00 0.00 C ATOM 281 CE LYS A 23 12.402 8.556 0.894 1.00 0.00 C ATOM 282 NZ LYS A 23 13.647 7.776 0.647 1.00 0.00 N ATOM 0 H LYS A 23 7.977 7.213 -0.848 1.00 0.00 H new ATOM 0 HA LYS A 23 9.059 5.824 -3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.889 7.182 -2.846 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.674 8.167 -2.057 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.423 6.787 0.097 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.885 6.541 -0.837 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.044 9.033 -1.168 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.643 9.230 -0.134 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.663 9.574 1.182 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.859 8.117 1.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.352 8.006 1.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.432 6.759 0.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.028 8.017 -0.290 1.00 0.00 H new ATOM 296 N LEU A 24 9.487 4.742 -0.092 1.00 0.00 N ATOM 297 CA LEU A 24 9.950 3.611 0.704 1.00 0.00 C ATOM 298 C LEU A 24 9.096 2.374 0.443 1.00 0.00 C ATOM 299 O LEU A 24 9.559 1.244 0.595 1.00 0.00 O ATOM 300 CB LEU A 24 9.917 3.962 2.193 1.00 0.00 C ATOM 301 CG LEU A 24 10.133 2.798 3.162 1.00 0.00 C ATOM 302 CD1 LEU A 24 11.504 2.175 2.951 1.00 0.00 C ATOM 303 CD2 LEU A 24 9.973 3.266 4.601 1.00 0.00 C ATOM 0 H LEU A 24 8.952 5.435 0.432 1.00 0.00 H new ATOM 0 HA LEU A 24 10.976 3.389 0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.681 4.715 2.385 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.954 4.421 2.416 1.00 0.00 H new ATOM 0 HG LEU A 24 9.377 2.038 2.962 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.640 1.349 3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.581 1.803 1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.275 2.926 3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.130 2.425 5.277 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.706 4.044 4.814 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.969 3.664 4.745 1.00 0.00 H new ATOM 315 N VAL A 25 7.847 2.597 0.046 1.00 0.00 N ATOM 316 CA VAL A 25 6.929 1.502 -0.241 1.00 0.00 C ATOM 317 C VAL A 25 7.134 0.968 -1.654 1.00 0.00 C ATOM 318 O VAL A 25 6.952 -0.222 -1.912 1.00 0.00 O ATOM 319 CB VAL A 25 5.462 1.942 -0.078 1.00 0.00 C ATOM 320 CG1 VAL A 25 4.522 0.775 -0.342 1.00 0.00 C ATOM 321 CG2 VAL A 25 5.230 2.521 1.309 1.00 0.00 C ATOM 0 H VAL A 25 7.448 3.527 -0.084 1.00 0.00 H new ATOM 0 HA VAL A 25 7.146 0.711 0.478 1.00 0.00 H new ATOM 0 HB VAL A 25 5.251 2.721 -0.811 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.490 1.105 -0.222 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.671 0.411 -1.358 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.731 -0.028 0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.188 2.827 1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.458 1.766 2.061 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.877 3.386 1.455 1.00 0.00 H new ATOM 331 N TYR A 26 7.515 1.855 -2.566 1.00 0.00 N ATOM 332 CA TYR A 26 7.744 1.474 -3.954 1.00 0.00 C ATOM 333 C TYR A 26 9.007 0.629 -4.086 1.00 0.00 C ATOM 334 O TYR A 26 9.104 -0.229 -4.963 1.00 0.00 O ATOM 335 CB TYR A 26 7.856 2.719 -4.835 1.00 0.00 C ATOM 336 CG TYR A 26 8.285 2.421 -6.254 1.00 0.00 C ATOM 337 CD1 TYR A 26 7.524 1.595 -7.072 1.00 0.00 C ATOM 338 CD2 TYR A 26 9.451 2.966 -6.777 1.00 0.00 C ATOM 339 CE1 TYR A 26 7.913 1.319 -8.369 1.00 0.00 C ATOM 340 CE2 TYR A 26 9.847 2.697 -8.073 1.00 0.00 C ATOM 341 CZ TYR A 26 9.075 1.872 -8.864 1.00 0.00 C ATOM 342 OH TYR A 26 9.465 1.601 -10.156 1.00 0.00 O ATOM 0 H TYR A 26 7.672 2.843 -2.369 1.00 0.00 H new ATOM 0 HA TYR A 26 6.894 0.878 -4.285 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.892 3.227 -4.855 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.571 3.409 -4.386 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.613 1.161 -6.688 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.058 3.611 -6.160 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.310 0.674 -8.991 1.00 0.00 H new ATOM 0 HE2 TYR A 26 10.756 3.130 -8.464 1.00 0.00 H new ATOM 0 HH TYR A 26 10.304 2.069 -10.349 1.00 0.00 H new ATOM 352 N GLN A 27 9.973 0.879 -3.208 1.00 0.00 N ATOM 353 CA GLN A 27 11.230 0.141 -3.225 1.00 0.00 C ATOM 354 C GLN A 27 11.033 -1.284 -2.720 1.00 0.00 C ATOM 355 O GLN A 27 11.805 -2.184 -3.054 1.00 0.00 O ATOM 356 CB GLN A 27 12.278 0.857 -2.371 1.00 0.00 C ATOM 357 CG GLN A 27 12.829 2.119 -3.015 1.00 0.00 C ATOM 358 CD GLN A 27 13.886 1.826 -4.062 1.00 0.00 C ATOM 359 OE1 GLN A 27 15.084 1.915 -3.793 1.00 0.00 O ATOM 360 NE2 GLN A 27 13.446 1.474 -5.264 1.00 0.00 N ATOM 0 H GLN A 27 9.909 1.587 -2.476 1.00 0.00 H new ATOM 0 HA GLN A 27 11.581 0.096 -4.256 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.836 1.114 -1.408 1.00 0.00 H new ATOM 0 HB3 GLN A 27 13.102 0.172 -2.171 1.00 0.00 H new ATOM 0 HG2 GLN A 27 12.012 2.674 -3.475 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.255 2.760 -2.243 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.444 1.413 -5.442 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.110 1.264 -6.009 1.00 0.00 H new ATOM 369 N ILE A 28 9.995 -1.482 -1.914 1.00 0.00 N ATOM 370 CA ILE A 28 9.697 -2.799 -1.363 1.00 0.00 C ATOM 371 C ILE A 28 8.986 -3.675 -2.389 1.00 0.00 C ATOM 372 O ILE A 28 9.296 -4.859 -2.530 1.00 0.00 O ATOM 373 CB ILE A 28 8.822 -2.695 -0.100 1.00 0.00 C ATOM 374 CG1 ILE A 28 9.498 -1.803 0.943 1.00 0.00 C ATOM 375 CG2 ILE A 28 8.554 -4.079 0.473 1.00 0.00 C ATOM 376 CD1 ILE A 28 8.533 -1.203 1.941 1.00 0.00 C ATOM 0 H ILE A 28 9.347 -0.748 -1.628 1.00 0.00 H new ATOM 0 HA ILE A 28 10.651 -3.254 -1.098 1.00 0.00 H new ATOM 0 HB ILE A 28 7.868 -2.244 -0.373 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.246 -2.387 1.479 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.028 -0.998 0.433 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.934 -3.990 1.365 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.036 -4.686 -0.269 1.00 0.00 H new ATOM 0 HG23 ILE A 28 9.500 -4.554 0.734 1.00 0.00 H new ATOM 0 HD11 ILE A 28 9.082 -0.583 2.650 1.00 0.00 H new ATOM 0 HD12 ILE A 28 7.800 -0.591 1.415 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.021 -2.002 2.478 1.00 0.00 H new ATOM 388 N ILE A 29 8.034 -3.086 -3.105 1.00 0.00 N ATOM 389 CA ILE A 29 7.282 -3.813 -4.120 1.00 0.00 C ATOM 390 C ILE A 29 8.205 -4.351 -5.208 1.00 0.00 C ATOM 391 O ILE A 29 8.055 -5.486 -5.657 1.00 0.00 O ATOM 392 CB ILE A 29 6.207 -2.921 -4.769 1.00 0.00 C ATOM 393 CG1 ILE A 29 5.321 -2.288 -3.694 1.00 0.00 C ATOM 394 CG2 ILE A 29 5.367 -3.731 -5.746 1.00 0.00 C ATOM 395 CD1 ILE A 29 4.491 -1.130 -4.201 1.00 0.00 C ATOM 0 H ILE A 29 7.765 -2.108 -3.001 1.00 0.00 H new ATOM 0 HA ILE A 29 6.795 -4.647 -3.615 1.00 0.00 H new ATOM 0 HB ILE A 29 6.703 -2.122 -5.321 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.657 -3.050 -3.287 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.950 -1.942 -2.874 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.612 -3.087 -6.197 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.009 -4.139 -6.527 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.878 -4.548 -5.215 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.888 -0.730 -3.386 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.150 -0.349 -4.582 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.836 -1.475 -5.002 1.00 0.00 H new ATOM 407 N GLU A 30 9.161 -3.527 -5.626 1.00 0.00 N ATOM 408 CA GLU A 30 10.110 -3.921 -6.661 1.00 0.00 C ATOM 409 C GLU A 30 11.056 -5.003 -6.148 1.00 0.00 C ATOM 410 O GLU A 30 11.555 -5.823 -6.920 1.00 0.00 O ATOM 411 CB GLU A 30 10.913 -2.709 -7.136 1.00 0.00 C ATOM 412 CG GLU A 30 12.123 -2.403 -6.269 1.00 0.00 C ATOM 413 CD GLU A 30 13.340 -3.220 -6.656 1.00 0.00 C ATOM 414 OE1 GLU A 30 13.381 -3.720 -7.799 1.00 0.00 O ATOM 415 OE2 GLU A 30 14.252 -3.359 -5.814 1.00 0.00 O ATOM 0 H GLU A 30 9.299 -2.583 -5.264 1.00 0.00 H new ATOM 0 HA GLU A 30 9.545 -4.325 -7.501 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.245 -2.882 -8.160 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.260 -1.836 -7.155 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.362 -1.342 -6.347 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.876 -2.598 -5.225 1.00 0.00 H new ATOM 422 N ASP A 31 11.298 -4.999 -4.842 1.00 0.00 N ATOM 423 CA ASP A 31 12.183 -5.979 -4.225 1.00 0.00 C ATOM 424 C ASP A 31 11.552 -7.368 -4.242 1.00 0.00 C ATOM 425 O ASP A 31 12.248 -8.375 -4.367 1.00 0.00 O ATOM 426 CB ASP A 31 12.509 -5.571 -2.787 1.00 0.00 C ATOM 427 CG ASP A 31 13.736 -4.685 -2.701 1.00 0.00 C ATOM 428 OD1 ASP A 31 14.588 -4.760 -3.611 1.00 0.00 O ATOM 429 OD2 ASP A 31 13.844 -3.916 -1.723 1.00 0.00 O ATOM 0 H ASP A 31 10.893 -4.327 -4.190 1.00 0.00 H new ATOM 0 HA ASP A 31 13.107 -6.012 -4.803 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.655 -5.046 -2.359 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.668 -6.466 -2.186 1.00 0.00 H new ATOM 434 N ALA A 32 10.230 -7.413 -4.114 1.00 0.00 N ATOM 435 CA ALA A 32 9.505 -8.678 -4.116 1.00 0.00 C ATOM 436 C ALA A 32 9.745 -9.446 -5.411 1.00 0.00 C ATOM 437 O ALA A 32 9.841 -10.673 -5.408 1.00 0.00 O ATOM 438 CB ALA A 32 8.017 -8.434 -3.912 1.00 0.00 C ATOM 0 H ALA A 32 9.639 -6.588 -4.008 1.00 0.00 H new ATOM 0 HA ALA A 32 9.879 -9.284 -3.291 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.488 -9.387 -3.916 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.858 -7.934 -2.956 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.638 -7.805 -4.718 1.00 0.00 H new ATOM 444 N GLY A 33 9.840 -8.716 -6.518 1.00 0.00 N ATOM 445 CA GLY A 33 10.066 -9.346 -7.806 1.00 0.00 C ATOM 446 C GLY A 33 8.783 -9.842 -8.442 1.00 0.00 C ATOM 447 O GLY A 33 7.689 -9.467 -8.022 1.00 0.00 O ATOM 0 H GLY A 33 9.764 -7.699 -6.546 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.548 -8.634 -8.476 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.754 -10.183 -7.682 1.00 0.00 H new ATOM 451 N ASN A 34 8.917 -10.685 -9.461 1.00 0.00 N ATOM 452 CA ASN A 34 7.758 -11.231 -10.158 1.00 0.00 C ATOM 453 C ASN A 34 6.722 -11.754 -9.167 1.00 0.00 C ATOM 454 O ASN A 34 5.539 -11.427 -9.258 1.00 0.00 O ATOM 455 CB ASN A 34 8.188 -12.355 -11.104 1.00 0.00 C ATOM 456 CG ASN A 34 8.511 -13.639 -10.365 1.00 0.00 C ATOM 457 OD1 ASN A 34 9.366 -13.661 -9.479 1.00 0.00 O ATOM 458 ND2 ASN A 34 7.828 -14.718 -10.728 1.00 0.00 N ATOM 0 H ASN A 34 9.816 -11.005 -9.822 1.00 0.00 H new ATOM 0 HA ASN A 34 7.305 -10.428 -10.740 1.00 0.00 H new ATOM 0 HB2 ASN A 34 7.393 -12.544 -11.825 1.00 0.00 H new ATOM 0 HB3 ASN A 34 9.062 -12.035 -11.671 1.00 0.00 H new ATOM 0 HD21 ASN A 34 8.003 -15.611 -10.267 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.128 -14.654 -11.467 1.00 0.00 H new ATOM 465 N LYS A 35 7.176 -12.567 -8.220 1.00 0.00 N ATOM 466 CA LYS A 35 6.291 -13.135 -7.210 1.00 0.00 C ATOM 467 C LYS A 35 5.391 -12.060 -6.609 1.00 0.00 C ATOM 468 O LYS A 35 4.258 -12.333 -6.216 1.00 0.00 O ATOM 469 CB LYS A 35 7.109 -13.806 -6.104 1.00 0.00 C ATOM 470 CG LYS A 35 7.731 -15.127 -6.524 1.00 0.00 C ATOM 471 CD LYS A 35 7.962 -16.038 -5.331 1.00 0.00 C ATOM 472 CE LYS A 35 6.734 -16.882 -5.027 1.00 0.00 C ATOM 473 NZ LYS A 35 6.628 -18.056 -5.937 1.00 0.00 N ATOM 0 H LYS A 35 8.153 -12.848 -8.131 1.00 0.00 H new ATOM 0 HA LYS A 35 5.662 -13.883 -7.693 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.900 -13.127 -5.785 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.466 -13.975 -5.240 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.080 -15.625 -7.242 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.679 -14.940 -7.029 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.813 -16.690 -5.529 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.217 -15.438 -4.458 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.777 -17.226 -3.994 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.839 -16.268 -5.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.778 -18.605 -5.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.561 -17.727 -6.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.470 -18.656 -5.829 1.00 0.00 H new ATOM 487 N GLY A 36 5.904 -10.834 -6.542 1.00 0.00 N ATOM 488 CA GLY A 36 5.132 -9.737 -5.990 1.00 0.00 C ATOM 489 C GLY A 36 5.147 -9.723 -4.474 1.00 0.00 C ATOM 490 O GLY A 36 5.938 -10.429 -3.848 1.00 0.00 O ATOM 0 H GLY A 36 6.840 -10.582 -6.860 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.530 -8.793 -6.363 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.102 -9.809 -6.340 1.00 0.00 H new ATOM 494 N ILE A 37 4.272 -8.916 -3.883 1.00 0.00 N ATOM 495 CA ILE A 37 4.189 -8.813 -2.431 1.00 0.00 C ATOM 496 C ILE A 37 2.756 -8.552 -1.980 1.00 0.00 C ATOM 497 O ILE A 37 1.983 -7.898 -2.681 1.00 0.00 O ATOM 498 CB ILE A 37 5.097 -7.691 -1.893 1.00 0.00 C ATOM 499 CG1 ILE A 37 5.150 -7.737 -0.365 1.00 0.00 C ATOM 500 CG2 ILE A 37 4.602 -6.334 -2.371 1.00 0.00 C ATOM 501 CD1 ILE A 37 6.121 -6.745 0.236 1.00 0.00 C ATOM 0 H ILE A 37 3.611 -8.324 -4.387 1.00 0.00 H new ATOM 0 HA ILE A 37 4.527 -9.767 -2.027 1.00 0.00 H new ATOM 0 HB ILE A 37 6.105 -7.844 -2.277 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.153 -7.543 0.031 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.428 -8.742 -0.049 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.254 -5.551 -1.983 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.611 -6.306 -3.461 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.586 -6.171 -2.013 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.106 -6.834 1.322 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.126 -6.952 -0.131 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.831 -5.734 -0.050 1.00 0.00 H new ATOM 513 N TRP A 38 2.409 -9.065 -0.805 1.00 0.00 N ATOM 514 CA TRP A 38 1.068 -8.885 -0.259 1.00 0.00 C ATOM 515 C TRP A 38 0.919 -7.508 0.377 1.00 0.00 C ATOM 516 O TRP A 38 1.723 -7.114 1.222 1.00 0.00 O ATOM 517 CB TRP A 38 0.766 -9.972 0.773 1.00 0.00 C ATOM 518 CG TRP A 38 -0.700 -10.197 0.988 1.00 0.00 C ATOM 519 CD1 TRP A 38 -1.710 -9.908 0.115 1.00 0.00 C ATOM 520 CD2 TRP A 38 -1.320 -10.756 2.151 1.00 0.00 C ATOM 521 NE1 TRP A 38 -2.920 -10.253 0.666 1.00 0.00 N ATOM 522 CE2 TRP A 38 -2.708 -10.777 1.914 1.00 0.00 C ATOM 523 CE3 TRP A 38 -0.838 -11.243 3.369 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -3.616 -11.264 2.850 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -1.740 -11.726 4.297 1.00 0.00 C ATOM 526 CH2 TRP A 38 -3.116 -11.735 4.034 1.00 0.00 C ATOM 0 H TRP A 38 3.037 -9.608 -0.212 1.00 0.00 H new ATOM 0 HA TRP A 38 0.355 -8.964 -1.080 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.226 -10.906 0.451 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.227 -9.700 1.722 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.577 -9.472 -0.864 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.829 -10.138 0.218 1.00 0.00 H new ATOM 0 HE3 TRP A 38 0.221 -11.242 3.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -4.677 -11.270 2.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.378 -12.103 5.242 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.795 -12.121 4.780 1.00 0.00 H new ATOM 537 N SER A 39 -0.113 -6.779 -0.035 1.00 0.00 N ATOM 538 CA SER A 39 -0.364 -5.443 0.492 1.00 0.00 C ATOM 539 C SER A 39 0.032 -5.356 1.963 1.00 0.00 C ATOM 540 O SER A 39 0.574 -4.346 2.413 1.00 0.00 O ATOM 541 CB SER A 39 -1.840 -5.076 0.328 1.00 0.00 C ATOM 542 OG SER A 39 -2.400 -5.712 -0.808 1.00 0.00 O ATOM 0 H SER A 39 -0.789 -7.091 -0.732 1.00 0.00 H new ATOM 0 HA SER A 39 0.244 -4.737 -0.073 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.392 -5.368 1.221 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.941 -3.995 0.230 1.00 0.00 H new ATOM 0 HG SER A 39 -1.960 -5.381 -1.619 1.00 0.00 H new ATOM 548 N ARG A 40 -0.243 -6.422 2.707 1.00 0.00 N ATOM 549 CA ARG A 40 0.083 -6.467 4.128 1.00 0.00 C ATOM 550 C ARG A 40 1.587 -6.623 4.336 1.00 0.00 C ATOM 551 O ARG A 40 2.197 -5.883 5.108 1.00 0.00 O ATOM 552 CB ARG A 40 -0.659 -7.620 4.807 1.00 0.00 C ATOM 553 CG ARG A 40 -2.069 -7.262 5.245 1.00 0.00 C ATOM 554 CD ARG A 40 -2.805 -8.473 5.797 1.00 0.00 C ATOM 555 NE ARG A 40 -2.535 -8.677 7.218 1.00 0.00 N ATOM 556 CZ ARG A 40 -2.789 -9.813 7.858 1.00 0.00 C ATOM 557 NH1 ARG A 40 -3.317 -10.841 7.208 1.00 0.00 N ATOM 558 NH2 ARG A 40 -2.515 -9.922 9.152 1.00 0.00 N ATOM 0 H ARG A 40 -0.691 -7.266 2.350 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.233 -5.526 4.578 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.704 -8.466 4.121 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.089 -7.946 5.677 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.028 -6.482 6.005 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.621 -6.854 4.399 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.877 -8.345 5.646 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.509 -9.362 5.240 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.129 -7.905 7.748 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.529 -10.761 6.214 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.511 -11.712 7.702 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.109 -9.133 9.656 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.710 -10.795 9.643 1.00 0.00 H new ATOM 572 N ASP A 41 2.177 -7.590 3.642 1.00 0.00 N ATOM 573 CA ASP A 41 3.610 -7.843 3.750 1.00 0.00 C ATOM 574 C ASP A 41 4.398 -6.538 3.696 1.00 0.00 C ATOM 575 O ASP A 41 5.530 -6.464 4.172 1.00 0.00 O ATOM 576 CB ASP A 41 4.070 -8.778 2.631 1.00 0.00 C ATOM 577 CG ASP A 41 3.894 -10.241 2.990 1.00 0.00 C ATOM 578 OD1 ASP A 41 2.882 -10.575 3.639 1.00 0.00 O ATOM 579 OD2 ASP A 41 4.770 -11.052 2.621 1.00 0.00 O ATOM 0 H ASP A 41 1.686 -8.211 2.999 1.00 0.00 H new ATOM 0 HA ASP A 41 3.798 -8.320 4.712 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.507 -8.559 1.724 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.120 -8.585 2.409 1.00 0.00 H new ATOM 584 N VAL A 42 3.791 -5.510 3.111 1.00 0.00 N ATOM 585 CA VAL A 42 4.435 -4.208 2.993 1.00 0.00 C ATOM 586 C VAL A 42 4.344 -3.430 4.301 1.00 0.00 C ATOM 587 O VAL A 42 5.335 -2.874 4.775 1.00 0.00 O ATOM 588 CB VAL A 42 3.806 -3.369 1.865 1.00 0.00 C ATOM 589 CG1 VAL A 42 4.425 -1.981 1.822 1.00 0.00 C ATOM 590 CG2 VAL A 42 3.964 -4.074 0.526 1.00 0.00 C ATOM 0 H VAL A 42 2.854 -5.554 2.711 1.00 0.00 H new ATOM 0 HA VAL A 42 5.482 -4.394 2.755 1.00 0.00 H new ATOM 0 HB VAL A 42 2.741 -3.259 2.069 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.968 -1.403 1.019 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.255 -1.477 2.773 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.497 -2.066 1.643 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.514 -3.467 -0.260 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.023 -4.217 0.313 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.468 -5.044 0.565 1.00 0.00 H new ATOM 600 N ARG A 43 3.148 -3.395 4.880 1.00 0.00 N ATOM 601 CA ARG A 43 2.927 -2.684 6.134 1.00 0.00 C ATOM 602 C ARG A 43 4.125 -2.839 7.066 1.00 0.00 C ATOM 603 O ARG A 43 4.525 -1.891 7.742 1.00 0.00 O ATOM 604 CB ARG A 43 1.663 -3.202 6.822 1.00 0.00 C ATOM 605 CG ARG A 43 0.401 -2.455 6.421 1.00 0.00 C ATOM 606 CD ARG A 43 -0.704 -2.634 7.451 1.00 0.00 C ATOM 607 NE ARG A 43 -0.860 -4.030 7.849 1.00 0.00 N ATOM 608 CZ ARG A 43 -1.533 -4.416 8.927 1.00 0.00 C ATOM 609 NH1 ARG A 43 -2.108 -3.515 9.712 1.00 0.00 N ATOM 610 NH2 ARG A 43 -1.631 -5.706 9.223 1.00 0.00 N ATOM 0 H ARG A 43 2.318 -3.850 4.501 1.00 0.00 H new ATOM 0 HA ARG A 43 2.801 -1.626 5.905 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.539 -4.259 6.587 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.791 -3.128 7.902 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.625 -1.394 6.307 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.057 -2.814 5.451 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.482 -2.029 8.330 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.645 -2.267 7.041 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.428 -4.748 7.267 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.034 -2.523 9.489 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.624 -3.814 10.539 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.189 -6.402 8.622 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.148 -6.001 10.051 1.00 0.00 H new ATOM 624 N TYR A 44 4.694 -4.039 7.096 1.00 0.00 N ATOM 625 CA TYR A 44 5.845 -4.318 7.946 1.00 0.00 C ATOM 626 C TYR A 44 7.113 -3.699 7.368 1.00 0.00 C ATOM 627 O TYR A 44 7.771 -2.884 8.015 1.00 0.00 O ATOM 628 CB TYR A 44 6.030 -5.828 8.109 1.00 0.00 C ATOM 629 CG TYR A 44 4.728 -6.593 8.183 1.00 0.00 C ATOM 630 CD1 TYR A 44 4.031 -6.930 7.029 1.00 0.00 C ATOM 631 CD2 TYR A 44 4.196 -6.981 9.407 1.00 0.00 C ATOM 632 CE1 TYR A 44 2.841 -7.629 7.092 1.00 0.00 C ATOM 633 CE2 TYR A 44 3.007 -7.681 9.479 1.00 0.00 C ATOM 634 CZ TYR A 44 2.333 -8.002 8.319 1.00 0.00 C ATOM 635 OH TYR A 44 1.149 -8.699 8.386 1.00 0.00 O ATOM 0 H TYR A 44 4.377 -4.834 6.541 1.00 0.00 H new ATOM 0 HA TYR A 44 5.659 -3.873 8.923 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.617 -6.206 7.272 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.606 -6.019 9.014 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.426 -6.641 6.067 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.721 -6.731 10.317 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.311 -7.882 6.185 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.607 -7.975 10.438 1.00 0.00 H new ATOM 0 HH TYR A 44 0.932 -8.885 9.323 1.00 0.00 H new ATOM 645 N LYS A 45 7.450 -4.090 6.144 1.00 0.00 N ATOM 646 CA LYS A 45 8.638 -3.574 5.474 1.00 0.00 C ATOM 647 C LYS A 45 8.631 -2.048 5.454 1.00 0.00 C ATOM 648 O LYS A 45 9.544 -1.407 5.973 1.00 0.00 O ATOM 649 CB LYS A 45 8.717 -4.113 4.044 1.00 0.00 C ATOM 650 CG LYS A 45 8.614 -5.625 3.957 1.00 0.00 C ATOM 651 CD LYS A 45 9.716 -6.306 4.752 1.00 0.00 C ATOM 652 CE LYS A 45 11.072 -6.132 4.086 1.00 0.00 C ATOM 653 NZ LYS A 45 11.769 -4.904 4.559 1.00 0.00 N ATOM 0 H LYS A 45 6.916 -4.764 5.595 1.00 0.00 H new ATOM 0 HA LYS A 45 9.513 -3.909 6.031 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.917 -3.668 3.452 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.659 -3.795 3.596 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.642 -5.946 4.332 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.672 -5.935 2.914 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.748 -5.892 5.760 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.492 -7.368 4.851 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.693 -7.004 4.292 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.942 -6.082 3.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.782 -5.105 4.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.649 -4.145 3.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.363 -4.603 5.468 1.00 0.00 H new ATOM 667 N SER A 46 7.594 -1.474 4.853 1.00 0.00 N ATOM 668 CA SER A 46 7.469 -0.023 4.764 1.00 0.00 C ATOM 669 C SER A 46 7.328 0.596 6.151 1.00 0.00 C ATOM 670 O SER A 46 7.575 1.786 6.340 1.00 0.00 O ATOM 671 CB SER A 46 6.265 0.354 3.900 1.00 0.00 C ATOM 672 OG SER A 46 5.073 -0.221 4.406 1.00 0.00 O ATOM 0 H SER A 46 6.828 -1.991 4.420 1.00 0.00 H new ATOM 0 HA SER A 46 8.375 0.367 4.301 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.163 1.439 3.866 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.429 0.017 2.876 1.00 0.00 H new ATOM 0 HG SER A 46 5.263 -1.118 4.751 1.00 0.00 H new ATOM 678 N ASN A 47 6.928 -0.222 7.120 1.00 0.00 N ATOM 679 CA ASN A 47 6.753 0.245 8.490 1.00 0.00 C ATOM 680 C ASN A 47 5.683 1.330 8.563 1.00 0.00 C ATOM 681 O ASN A 47 5.731 2.208 9.425 1.00 0.00 O ATOM 682 CB ASN A 47 8.076 0.780 9.042 1.00 0.00 C ATOM 683 CG ASN A 47 8.184 0.615 10.546 1.00 0.00 C ATOM 684 OD1 ASN A 47 8.968 -0.365 10.979 1.00 0.00 O flip ATOM 685 ND2 ASN A 47 7.569 1.360 11.309 1.00 0.00 N flip ATOM 0 H ASN A 47 6.719 -1.211 6.981 1.00 0.00 H new ATOM 0 HA ASN A 47 6.429 -0.601 9.097 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.904 0.259 8.562 1.00 0.00 H new ATOM 0 HB3 ASN A 47 8.173 1.835 8.787 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.977 2.101 10.932 1.00 0.00 H new ATOM 0 HD22 ASN A 47 7.651 1.237 12.318 1.00 0.00 H new ATOM 692 N LEU A 48 4.717 1.262 7.653 1.00 0.00 N ATOM 693 CA LEU A 48 3.633 2.238 7.614 1.00 0.00 C ATOM 694 C LEU A 48 2.295 1.578 7.929 1.00 0.00 C ATOM 695 O LEU A 48 2.099 0.381 7.717 1.00 0.00 O ATOM 696 CB LEU A 48 3.574 2.908 6.240 1.00 0.00 C ATOM 697 CG LEU A 48 4.689 3.907 5.931 1.00 0.00 C ATOM 698 CD1 LEU A 48 4.669 4.292 4.461 1.00 0.00 C ATOM 699 CD2 LEU A 48 4.557 5.142 6.810 1.00 0.00 C ATOM 0 H LEU A 48 4.662 0.542 6.933 1.00 0.00 H new ATOM 0 HA LEU A 48 3.831 2.995 8.373 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.590 2.129 5.478 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.617 3.423 6.150 1.00 0.00 H new ATOM 0 HG LEU A 48 5.646 3.432 6.147 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.470 5.004 4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.814 3.401 3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.709 4.748 4.217 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.359 5.842 6.576 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.594 5.618 6.626 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.623 4.851 7.858 1.00 0.00 H new ATOM 711 N PRO A 49 1.349 2.376 8.447 1.00 0.00 N ATOM 712 CA PRO A 49 0.011 1.892 8.799 1.00 0.00 C ATOM 713 C PRO A 49 -0.821 1.539 7.571 1.00 0.00 C ATOM 714 O PRO A 49 -0.577 2.049 6.476 1.00 0.00 O ATOM 715 CB PRO A 49 -0.611 3.077 9.543 1.00 0.00 C ATOM 716 CG PRO A 49 0.111 4.272 9.022 1.00 0.00 C ATOM 717 CD PRO A 49 1.512 3.813 8.726 1.00 0.00 C ATOM 0 HA PRO A 49 0.052 0.975 9.387 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.682 3.147 9.352 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.486 2.978 10.621 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.371 4.658 8.124 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.111 5.078 9.756 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.936 4.342 7.873 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.178 3.985 9.571 1.00 0.00 H new ATOM 725 N LEU A 50 -1.803 0.664 7.758 1.00 0.00 N ATOM 726 CA LEU A 50 -2.671 0.243 6.665 1.00 0.00 C ATOM 727 C LEU A 50 -3.127 1.442 5.838 1.00 0.00 C ATOM 728 O LEU A 50 -2.991 1.454 4.614 1.00 0.00 O ATOM 729 CB LEU A 50 -3.888 -0.504 7.213 1.00 0.00 C ATOM 730 CG LEU A 50 -4.749 -1.233 6.180 1.00 0.00 C ATOM 731 CD1 LEU A 50 -5.274 -0.256 5.138 1.00 0.00 C ATOM 732 CD2 LEU A 50 -3.957 -2.349 5.516 1.00 0.00 C ATOM 0 H LEU A 50 -2.018 0.232 8.657 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.102 -0.425 6.019 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.542 -1.232 7.947 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.519 0.209 7.744 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.601 -1.677 6.695 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.884 -0.792 4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.879 0.507 5.627 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.435 0.218 4.628 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.586 -2.856 4.784 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.085 -1.928 5.015 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.631 -3.064 6.272 1.00 0.00 H new ATOM 744 N THR A 51 -3.666 2.451 6.516 1.00 0.00 N ATOM 745 CA THR A 51 -4.140 3.655 5.845 1.00 0.00 C ATOM 746 C THR A 51 -3.073 4.223 4.917 1.00 0.00 C ATOM 747 O THR A 51 -3.388 4.874 3.921 1.00 0.00 O ATOM 748 CB THR A 51 -4.552 4.738 6.860 1.00 0.00 C ATOM 749 OG1 THR A 51 -5.108 5.865 6.175 1.00 0.00 O ATOM 750 CG2 THR A 51 -3.358 5.182 7.692 1.00 0.00 C ATOM 0 H THR A 51 -3.785 2.458 7.529 1.00 0.00 H new ATOM 0 HA THR A 51 -5.012 3.368 5.258 1.00 0.00 H new ATOM 0 HB THR A 51 -5.302 4.313 7.527 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.369 6.548 6.827 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.673 5.947 8.402 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.955 4.327 8.235 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.589 5.590 7.036 1.00 0.00 H new ATOM 758 N GLU A 52 -1.811 3.973 5.250 1.00 0.00 N ATOM 759 CA GLU A 52 -0.698 4.461 4.444 1.00 0.00 C ATOM 760 C GLU A 52 -0.387 3.496 3.304 1.00 0.00 C ATOM 761 O GLU A 52 -0.118 3.916 2.178 1.00 0.00 O ATOM 762 CB GLU A 52 0.545 4.655 5.316 1.00 0.00 C ATOM 763 CG GLU A 52 0.595 6.004 6.013 1.00 0.00 C ATOM 764 CD GLU A 52 0.600 7.165 5.039 1.00 0.00 C ATOM 765 OE1 GLU A 52 1.409 7.137 4.088 1.00 0.00 O ATOM 766 OE2 GLU A 52 -0.205 8.101 5.226 1.00 0.00 O ATOM 0 H GLU A 52 -1.534 3.436 6.072 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.987 5.421 4.016 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.578 3.866 6.067 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.434 4.543 4.696 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.263 6.097 6.678 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.488 6.054 6.636 1.00 0.00 H new ATOM 773 N ILE A 53 -0.427 2.202 3.604 1.00 0.00 N ATOM 774 CA ILE A 53 -0.151 1.178 2.605 1.00 0.00 C ATOM 775 C ILE A 53 -1.243 1.139 1.541 1.00 0.00 C ATOM 776 O ILE A 53 -0.985 0.809 0.384 1.00 0.00 O ATOM 777 CB ILE A 53 -0.025 -0.216 3.247 1.00 0.00 C ATOM 778 CG1 ILE A 53 1.359 -0.389 3.877 1.00 0.00 C ATOM 779 CG2 ILE A 53 -0.282 -1.301 2.212 1.00 0.00 C ATOM 780 CD1 ILE A 53 1.663 0.626 4.956 1.00 0.00 C ATOM 0 H ILE A 53 -0.648 1.838 4.531 1.00 0.00 H new ATOM 0 HA ILE A 53 0.798 1.441 2.138 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.774 -0.307 4.033 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.434 -1.391 4.300 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.116 -0.315 3.097 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.189 -2.281 2.681 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.287 -1.186 1.807 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.446 -1.214 1.406 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.660 0.443 5.357 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.621 1.630 4.533 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.928 0.538 5.756 1.00 0.00 H new ATOM 792 N ASN A 54 -2.463 1.479 1.941 1.00 0.00 N ATOM 793 CA ASN A 54 -3.596 1.484 1.022 1.00 0.00 C ATOM 794 C ASN A 54 -3.491 2.643 0.036 1.00 0.00 C ATOM 795 O ASN A 54 -3.627 2.459 -1.174 1.00 0.00 O ATOM 796 CB ASN A 54 -4.910 1.578 1.799 1.00 0.00 C ATOM 797 CG ASN A 54 -5.465 0.214 2.163 1.00 0.00 C ATOM 798 OD1 ASN A 54 -4.798 -0.806 1.990 1.00 0.00 O ATOM 799 ND2 ASN A 54 -6.692 0.191 2.671 1.00 0.00 N ATOM 0 H ASN A 54 -2.693 1.755 2.896 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.580 0.550 0.461 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.750 2.157 2.709 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.644 2.119 1.202 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -7.118 -0.697 2.935 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.208 1.062 2.797 1.00 0.00 H new ATOM 806 N LYS A 55 -3.246 3.839 0.562 1.00 0.00 N ATOM 807 CA LYS A 55 -3.121 5.030 -0.270 1.00 0.00 C ATOM 808 C LYS A 55 -1.844 4.979 -1.104 1.00 0.00 C ATOM 809 O LYS A 55 -1.829 5.406 -2.259 1.00 0.00 O ATOM 810 CB LYS A 55 -3.123 6.288 0.601 1.00 0.00 C ATOM 811 CG LYS A 55 -1.890 6.425 1.476 1.00 0.00 C ATOM 812 CD LYS A 55 -1.860 7.765 2.192 1.00 0.00 C ATOM 813 CE LYS A 55 -2.782 7.771 3.402 1.00 0.00 C ATOM 814 NZ LYS A 55 -3.093 9.154 3.855 1.00 0.00 N ATOM 0 H LYS A 55 -3.130 4.009 1.561 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.975 5.062 -0.946 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.201 7.165 -0.042 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.009 6.279 1.236 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.872 5.619 2.210 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.995 6.319 0.864 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.841 7.987 2.509 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.158 8.554 1.502 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.709 7.253 3.155 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.315 7.218 4.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.724 9.115 4.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.211 9.641 4.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.562 9.674 3.086 1.00 0.00 H new ATOM 828 N ILE A 56 -0.777 4.453 -0.513 1.00 0.00 N ATOM 829 CA ILE A 56 0.502 4.344 -1.203 1.00 0.00 C ATOM 830 C ILE A 56 0.443 3.296 -2.308 1.00 0.00 C ATOM 831 O ILE A 56 0.780 3.573 -3.460 1.00 0.00 O ATOM 832 CB ILE A 56 1.639 3.983 -0.228 1.00 0.00 C ATOM 833 CG1 ILE A 56 1.878 5.128 0.758 1.00 0.00 C ATOM 834 CG2 ILE A 56 2.913 3.662 -0.995 1.00 0.00 C ATOM 835 CD1 ILE A 56 2.535 4.688 2.047 1.00 0.00 C ATOM 0 H ILE A 56 -0.773 4.096 0.442 1.00 0.00 H new ATOM 0 HA ILE A 56 0.708 5.320 -1.642 1.00 0.00 H new ATOM 0 HB ILE A 56 1.346 3.098 0.337 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.502 5.883 0.281 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.924 5.603 0.989 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.707 3.409 -0.292 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.734 2.817 -1.660 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.212 4.530 -1.583 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.674 5.551 2.698 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.902 3.955 2.547 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.504 4.240 1.827 1.00 0.00 H new ATOM 847 N LEU A 57 0.011 2.091 -1.951 1.00 0.00 N ATOM 848 CA LEU A 57 -0.095 1.000 -2.913 1.00 0.00 C ATOM 849 C LEU A 57 -0.884 1.435 -4.145 1.00 0.00 C ATOM 850 O LEU A 57 -0.489 1.159 -5.278 1.00 0.00 O ATOM 851 CB LEU A 57 -0.764 -0.213 -2.266 1.00 0.00 C ATOM 852 CG LEU A 57 0.141 -1.107 -1.419 1.00 0.00 C ATOM 853 CD1 LEU A 57 -0.617 -2.336 -0.942 1.00 0.00 C ATOM 854 CD2 LEU A 57 1.378 -1.514 -2.207 1.00 0.00 C ATOM 0 H LEU A 57 -0.271 1.845 -1.002 1.00 0.00 H new ATOM 0 HA LEU A 57 0.912 0.726 -3.228 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.582 0.140 -1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.207 -0.822 -3.054 1.00 0.00 H new ATOM 0 HG LEU A 57 0.462 -0.541 -0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.044 -2.960 -0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.471 -2.026 -0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.968 -2.904 -1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.011 -2.150 -1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.077 -2.061 -3.100 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.934 -0.623 -2.498 1.00 0.00 H new ATOM 866 N LYS A 58 -2.000 2.117 -3.915 1.00 0.00 N ATOM 867 CA LYS A 58 -2.844 2.594 -5.004 1.00 0.00 C ATOM 868 C LYS A 58 -2.144 3.697 -5.792 1.00 0.00 C ATOM 869 O LYS A 58 -1.895 3.555 -6.989 1.00 0.00 O ATOM 870 CB LYS A 58 -4.176 3.111 -4.457 1.00 0.00 C ATOM 871 CG LYS A 58 -5.309 3.063 -5.467 1.00 0.00 C ATOM 872 CD LYS A 58 -5.291 4.276 -6.383 1.00 0.00 C ATOM 873 CE LYS A 58 -6.674 4.573 -6.940 1.00 0.00 C ATOM 874 NZ LYS A 58 -7.645 4.912 -5.863 1.00 0.00 N ATOM 0 H LYS A 58 -2.342 2.352 -2.983 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.035 1.757 -5.675 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.454 2.521 -3.584 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.046 4.139 -4.119 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.228 2.154 -6.063 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.263 3.016 -4.943 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.925 5.143 -5.833 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.596 4.103 -7.205 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.611 5.401 -7.646 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.035 3.708 -7.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.382 5.539 -6.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.084 4.040 -5.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.148 5.394 -5.087 1.00 0.00 H new ATOM 888 N ASN A 59 -1.827 4.794 -5.112 1.00 0.00 N ATOM 889 CA ASN A 59 -1.155 5.921 -5.749 1.00 0.00 C ATOM 890 C ASN A 59 -0.173 5.438 -6.812 1.00 0.00 C ATOM 891 O ASN A 59 -0.158 5.943 -7.935 1.00 0.00 O ATOM 892 CB ASN A 59 -0.420 6.760 -4.703 1.00 0.00 C ATOM 893 CG ASN A 59 -1.286 7.869 -4.138 1.00 0.00 C ATOM 894 OD1 ASN A 59 -2.210 8.347 -4.797 1.00 0.00 O ATOM 895 ND2 ASN A 59 -0.991 8.284 -2.911 1.00 0.00 N ATOM 0 H ASN A 59 -2.025 4.927 -4.120 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.912 6.538 -6.233 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.087 6.113 -3.891 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.474 7.194 -5.152 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.539 9.027 -2.478 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.216 7.859 -2.401 1.00 0.00 H new ATOM 902 N LEU A 60 0.647 4.457 -6.450 1.00 0.00 N ATOM 903 CA LEU A 60 1.632 3.904 -7.372 1.00 0.00 C ATOM 904 C LEU A 60 0.956 3.332 -8.614 1.00 0.00 C ATOM 905 O LEU A 60 1.386 3.587 -9.739 1.00 0.00 O ATOM 906 CB LEU A 60 2.455 2.816 -6.679 1.00 0.00 C ATOM 907 CG LEU A 60 3.376 3.286 -5.553 1.00 0.00 C ATOM 908 CD1 LEU A 60 3.900 2.098 -4.761 1.00 0.00 C ATOM 909 CD2 LEU A 60 4.528 4.106 -6.114 1.00 0.00 C ATOM 0 H LEU A 60 0.649 4.029 -5.524 1.00 0.00 H new ATOM 0 HA LEU A 60 2.296 4.711 -7.682 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.769 2.072 -6.274 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.062 2.313 -7.432 1.00 0.00 H new ATOM 0 HG LEU A 60 2.800 3.920 -4.879 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.554 2.452 -3.964 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.062 1.552 -4.328 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.460 1.438 -5.423 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.173 4.432 -5.298 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.103 3.496 -6.810 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.134 4.978 -6.636 1.00 0.00 H new ATOM 921 N GLU A 61 -0.105 2.560 -8.402 1.00 0.00 N ATOM 922 CA GLU A 61 -0.841 1.954 -9.505 1.00 0.00 C ATOM 923 C GLU A 61 -1.314 3.017 -10.492 1.00 0.00 C ATOM 924 O GLU A 61 -1.714 2.704 -11.613 1.00 0.00 O ATOM 925 CB GLU A 61 -2.040 1.165 -8.974 1.00 0.00 C ATOM 926 CG GLU A 61 -1.672 -0.198 -8.414 1.00 0.00 C ATOM 927 CD GLU A 61 -2.876 -1.104 -8.246 1.00 0.00 C ATOM 928 OE1 GLU A 61 -3.750 -0.781 -7.414 1.00 0.00 O ATOM 929 OE2 GLU A 61 -2.945 -2.136 -8.946 1.00 0.00 O ATOM 0 H GLU A 61 -0.474 2.340 -7.477 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.169 1.273 -10.026 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.531 1.748 -8.195 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.763 1.034 -9.779 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.952 -0.677 -9.077 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.181 -0.070 -7.449 1.00 0.00 H new ATOM 936 N SER A 62 -1.266 4.275 -10.066 1.00 0.00 N ATOM 937 CA SER A 62 -1.693 5.385 -10.910 1.00 0.00 C ATOM 938 C SER A 62 -0.509 5.980 -11.666 1.00 0.00 C ATOM 939 O SER A 62 -0.670 6.562 -12.739 1.00 0.00 O ATOM 940 CB SER A 62 -2.369 6.466 -10.065 1.00 0.00 C ATOM 941 OG SER A 62 -3.329 7.181 -10.823 1.00 0.00 O ATOM 0 H SER A 62 -0.936 4.551 -9.141 1.00 0.00 H new ATOM 0 HA SER A 62 -2.409 5.001 -11.636 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.851 6.008 -9.201 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.617 7.156 -9.682 1.00 0.00 H new ATOM 0 HG SER A 62 -3.748 7.865 -10.259 1.00 0.00 H new ATOM 947 N LYS A 63 0.683 5.830 -11.097 1.00 0.00 N ATOM 948 CA LYS A 63 1.897 6.351 -11.715 1.00 0.00 C ATOM 949 C LYS A 63 2.528 5.311 -12.635 1.00 0.00 C ATOM 950 O LYS A 63 3.691 5.433 -13.021 1.00 0.00 O ATOM 951 CB LYS A 63 2.900 6.773 -10.639 1.00 0.00 C ATOM 952 CG LYS A 63 2.333 7.756 -9.630 1.00 0.00 C ATOM 953 CD LYS A 63 3.104 7.719 -8.321 1.00 0.00 C ATOM 954 CE LYS A 63 3.085 9.071 -7.625 1.00 0.00 C ATOM 955 NZ LYS A 63 3.513 10.169 -8.535 1.00 0.00 N ATOM 0 H LYS A 63 0.834 5.352 -10.209 1.00 0.00 H new ATOM 0 HA LYS A 63 1.627 7.222 -12.312 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.249 5.885 -10.112 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.770 7.221 -11.120 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.366 8.764 -10.044 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.285 7.523 -9.443 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.672 6.964 -7.664 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.135 7.422 -8.513 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.080 9.276 -7.257 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.743 9.042 -6.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.969 10.922 -7.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.187 9.797 -9.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.682 10.556 -9.027 1.00 0.00 H new ATOM 969 N LYS A 64 1.755 4.289 -12.983 1.00 0.00 N ATOM 970 CA LYS A 64 2.237 3.228 -13.860 1.00 0.00 C ATOM 971 C LYS A 64 3.519 2.610 -13.313 1.00 0.00 C ATOM 972 O LYS A 64 4.392 2.189 -14.073 1.00 0.00 O ATOM 973 CB LYS A 64 2.483 3.775 -15.268 1.00 0.00 C ATOM 974 CG LYS A 64 1.211 3.971 -16.075 1.00 0.00 C ATOM 975 CD LYS A 64 1.349 5.117 -17.064 1.00 0.00 C ATOM 976 CE LYS A 64 0.057 5.350 -17.831 1.00 0.00 C ATOM 977 NZ LYS A 64 0.214 6.399 -18.877 1.00 0.00 N ATOM 0 H LYS A 64 0.791 4.172 -12.671 1.00 0.00 H new ATOM 0 HA LYS A 64 1.472 2.453 -13.906 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.006 4.728 -15.192 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.142 3.092 -15.804 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.974 3.052 -16.612 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.378 4.170 -15.401 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.626 6.027 -16.532 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.155 4.899 -17.765 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.262 4.418 -18.297 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.730 5.645 -17.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.689 6.528 -19.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.494 7.296 -18.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.947 6.107 -19.555 1.00 0.00 H new ATOM 991 N LEU A 65 3.627 2.558 -11.990 1.00 0.00 N ATOM 992 CA LEU A 65 4.803 1.989 -11.340 1.00 0.00 C ATOM 993 C LEU A 65 4.548 0.545 -10.920 1.00 0.00 C ATOM 994 O LEU A 65 5.414 -0.318 -11.070 1.00 0.00 O ATOM 995 CB LEU A 65 5.190 2.826 -10.119 1.00 0.00 C ATOM 996 CG LEU A 65 5.442 4.312 -10.378 1.00 0.00 C ATOM 997 CD1 LEU A 65 5.527 5.075 -9.065 1.00 0.00 C ATOM 998 CD2 LEU A 65 6.713 4.504 -11.192 1.00 0.00 C ATOM 0 H LEU A 65 2.915 2.903 -11.346 1.00 0.00 H new ATOM 0 HA LEU A 65 5.625 2.000 -12.056 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.398 2.736 -9.376 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.090 2.396 -9.679 1.00 0.00 H new ATOM 0 HG LEU A 65 4.604 4.708 -10.952 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.707 6.131 -9.269 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.590 4.965 -8.519 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.345 4.677 -8.465 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.876 5.567 -11.367 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.561 4.092 -10.645 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.614 3.990 -12.148 1.00 0.00 H new ATOM 1010 N ILE A 66 3.355 0.289 -10.394 1.00 0.00 N ATOM 1011 CA ILE A 66 2.985 -1.051 -9.956 1.00 0.00 C ATOM 1012 C ILE A 66 1.574 -1.409 -10.411 1.00 0.00 C ATOM 1013 O ILE A 66 0.885 -0.598 -11.031 1.00 0.00 O ATOM 1014 CB ILE A 66 3.068 -1.185 -8.424 1.00 0.00 C ATOM 1015 CG1 ILE A 66 1.907 -0.441 -7.761 1.00 0.00 C ATOM 1016 CG2 ILE A 66 4.401 -0.656 -7.917 1.00 0.00 C ATOM 1017 CD1 ILE A 66 1.811 -0.677 -6.270 1.00 0.00 C ATOM 0 H ILE A 66 2.628 0.992 -10.261 1.00 0.00 H new ATOM 0 HA ILE A 66 3.696 -1.740 -10.412 1.00 0.00 H new ATOM 0 HB ILE A 66 2.995 -2.241 -8.163 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.018 0.628 -7.945 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.973 -0.750 -8.230 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.444 -0.758 -6.833 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.214 -1.226 -8.367 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.502 0.395 -8.187 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.966 -0.119 -5.867 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.668 -1.740 -6.078 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.730 -0.342 -5.789 1.00 0.00 H new ATOM 1029 N LYS A 67 1.148 -2.627 -10.096 1.00 0.00 N ATOM 1030 CA LYS A 67 -0.182 -3.093 -10.469 1.00 0.00 C ATOM 1031 C LYS A 67 -0.654 -4.199 -9.530 1.00 0.00 C ATOM 1032 O LYS A 67 0.146 -4.804 -8.817 1.00 0.00 O ATOM 1033 CB LYS A 67 -0.182 -3.601 -11.913 1.00 0.00 C ATOM 1034 CG LYS A 67 0.804 -4.729 -12.160 1.00 0.00 C ATOM 1035 CD LYS A 67 0.671 -5.287 -13.567 1.00 0.00 C ATOM 1036 CE LYS A 67 1.245 -6.693 -13.666 1.00 0.00 C ATOM 1037 NZ LYS A 67 0.809 -7.383 -14.911 1.00 0.00 N ATOM 0 H LYS A 67 1.705 -3.310 -9.583 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.870 -2.252 -10.387 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.185 -3.943 -12.169 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.052 -2.772 -12.581 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.820 -4.366 -12.006 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.637 -5.525 -11.434 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.380 -5.301 -13.856 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.186 -4.632 -14.269 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.334 -6.644 -13.640 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.932 -7.275 -12.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.221 -8.338 -14.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.229 -7.453 -14.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.130 -6.841 -15.739 1.00 0.00 H new ATOM 1051 N ALA A 68 -1.957 -4.459 -9.538 1.00 0.00 N ATOM 1052 CA ALA A 68 -2.535 -5.495 -8.690 1.00 0.00 C ATOM 1053 C ALA A 68 -2.681 -6.808 -9.450 1.00 0.00 C ATOM 1054 O ALA A 68 -3.251 -6.846 -10.541 1.00 0.00 O ATOM 1055 CB ALA A 68 -3.883 -5.043 -8.148 1.00 0.00 C ATOM 0 H ALA A 68 -2.633 -3.967 -10.122 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.858 -5.664 -7.853 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.303 -5.826 -7.517 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.753 -4.134 -7.560 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.561 -4.844 -8.978 1.00 0.00 H new ATOM 1061 N VAL A 69 -2.163 -7.885 -8.868 1.00 0.00 N ATOM 1062 CA VAL A 69 -2.236 -9.201 -9.491 1.00 0.00 C ATOM 1063 C VAL A 69 -2.885 -10.216 -8.557 1.00 0.00 C ATOM 1064 O VAL A 69 -2.838 -10.071 -7.335 1.00 0.00 O ATOM 1065 CB VAL A 69 -0.840 -9.711 -9.894 1.00 0.00 C ATOM 1066 CG1 VAL A 69 -0.920 -11.140 -10.408 1.00 0.00 C ATOM 1067 CG2 VAL A 69 -0.219 -8.794 -10.936 1.00 0.00 C ATOM 0 H VAL A 69 -1.688 -7.872 -7.965 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.847 -9.092 -10.387 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.201 -9.705 -9.011 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.076 -11.482 -10.688 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.320 -11.786 -9.626 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.574 -11.177 -11.279 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.767 -9.169 -11.209 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.855 -8.766 -11.821 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.124 -7.789 -10.526 1.00 0.00 H new ATOM 1223 N VAL A 79 -1.914 -8.915 -4.544 1.00 0.00 N ATOM 1224 CA VAL A 79 -0.464 -8.833 -4.667 1.00 0.00 C ATOM 1225 C VAL A 79 -0.052 -7.657 -5.545 1.00 0.00 C ATOM 1226 O VAL A 79 -0.591 -7.464 -6.635 1.00 0.00 O ATOM 1227 CB VAL A 79 0.124 -10.129 -5.256 1.00 0.00 C ATOM 1228 CG1 VAL A 79 1.644 -10.093 -5.216 1.00 0.00 C ATOM 1229 CG2 VAL A 79 -0.408 -11.343 -4.508 1.00 0.00 C ATOM 0 HA VAL A 79 -0.070 -8.688 -3.661 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.186 -10.207 -6.298 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.041 -11.017 -5.636 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.003 -9.245 -5.799 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.978 -9.991 -4.184 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.018 -12.250 -4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.129 -11.274 -3.457 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.494 -11.376 -4.594 1.00 0.00 H new ATOM 1239 N TYR A 80 0.906 -6.873 -5.064 1.00 0.00 N ATOM 1240 CA TYR A 80 1.389 -5.714 -5.804 1.00 0.00 C ATOM 1241 C TYR A 80 2.820 -5.933 -6.287 1.00 0.00 C ATOM 1242 O TYR A 80 3.704 -6.281 -5.506 1.00 0.00 O ATOM 1243 CB TYR A 80 1.321 -4.460 -4.930 1.00 0.00 C ATOM 1244 CG TYR A 80 -0.087 -3.965 -4.690 1.00 0.00 C ATOM 1245 CD1 TYR A 80 -0.726 -3.150 -5.617 1.00 0.00 C ATOM 1246 CD2 TYR A 80 -0.779 -4.313 -3.537 1.00 0.00 C ATOM 1247 CE1 TYR A 80 -2.012 -2.695 -5.401 1.00 0.00 C ATOM 1248 CE2 TYR A 80 -2.066 -3.864 -3.313 1.00 0.00 C ATOM 1249 CZ TYR A 80 -2.678 -3.055 -4.248 1.00 0.00 C ATOM 1250 OH TYR A 80 -3.960 -2.605 -4.030 1.00 0.00 O ATOM 0 H TYR A 80 1.364 -7.019 -4.164 1.00 0.00 H new ATOM 0 HA TYR A 80 0.747 -5.578 -6.675 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.792 -4.671 -3.970 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.901 -3.667 -5.402 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.208 -2.868 -6.522 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.302 -4.946 -2.803 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.493 -2.061 -6.131 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.590 -4.145 -2.411 1.00 0.00 H new ATOM 0 HH TYR A 80 -4.286 -2.950 -3.173 1.00 0.00 H new ATOM 1260 N MET A 81 3.038 -5.727 -7.582 1.00 0.00 N ATOM 1261 CA MET A 81 4.361 -5.900 -8.171 1.00 0.00 C ATOM 1262 C MET A 81 4.657 -4.793 -9.178 1.00 0.00 C ATOM 1263 O MET A 81 3.840 -3.895 -9.387 1.00 0.00 O ATOM 1264 CB MET A 81 4.465 -7.266 -8.852 1.00 0.00 C ATOM 1265 CG MET A 81 3.875 -7.294 -10.252 1.00 0.00 C ATOM 1266 SD MET A 81 4.033 -8.907 -11.041 1.00 0.00 S ATOM 1267 CE MET A 81 2.935 -9.891 -10.024 1.00 0.00 C ATOM 0 H MET A 81 2.316 -5.440 -8.243 1.00 0.00 H new ATOM 0 HA MET A 81 5.098 -5.844 -7.370 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.514 -7.558 -8.903 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.956 -8.009 -8.237 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.821 -7.020 -10.203 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.372 -6.543 -10.866 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.519 -10.704 -10.619 1.00 0.00 H new ATOM 0 HE2 MET A 81 3.491 -10.305 -9.183 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.126 -9.264 -9.650 1.00 0.00 H new ATOM 1277 N LEU A 82 5.829 -4.863 -9.799 1.00 0.00 N ATOM 1278 CA LEU A 82 6.233 -3.866 -10.784 1.00 0.00 C ATOM 1279 C LEU A 82 5.273 -3.851 -11.969 1.00 0.00 C ATOM 1280 O LEU A 82 4.852 -4.902 -12.453 1.00 0.00 O ATOM 1281 CB LEU A 82 7.656 -4.148 -11.270 1.00 0.00 C ATOM 1282 CG LEU A 82 8.785 -3.606 -10.393 1.00 0.00 C ATOM 1283 CD1 LEU A 82 10.102 -4.283 -10.739 1.00 0.00 C ATOM 1284 CD2 LEU A 82 8.902 -2.097 -10.547 1.00 0.00 C ATOM 0 H LEU A 82 6.516 -5.599 -9.638 1.00 0.00 H new ATOM 0 HA LEU A 82 6.206 -2.887 -10.306 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.780 -5.227 -11.361 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.767 -3.729 -12.270 1.00 0.00 H new ATOM 0 HG LEU A 82 8.549 -3.828 -9.352 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.894 -3.884 -10.105 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.013 -5.357 -10.576 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.345 -4.093 -11.785 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.710 -1.728 -9.916 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.114 -1.853 -11.588 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.965 -1.627 -10.248 1.00 0.00 H new ATOM 1296 N TYR A 83 4.932 -2.654 -12.432 1.00 0.00 N ATOM 1297 CA TYR A 83 4.021 -2.502 -13.561 1.00 0.00 C ATOM 1298 C TYR A 83 4.700 -2.903 -14.867 1.00 0.00 C ATOM 1299 O TYR A 83 4.036 -3.161 -15.870 1.00 0.00 O ATOM 1300 CB TYR A 83 3.526 -1.057 -13.652 1.00 0.00 C ATOM 1301 CG TYR A 83 2.474 -0.844 -14.717 1.00 0.00 C ATOM 1302 CD1 TYR A 83 1.382 -1.696 -14.824 1.00 0.00 C ATOM 1303 CD2 TYR A 83 2.572 0.210 -15.617 1.00 0.00 C ATOM 1304 CE1 TYR A 83 0.419 -1.506 -15.796 1.00 0.00 C ATOM 1305 CE2 TYR A 83 1.614 0.410 -16.591 1.00 0.00 C ATOM 1306 CZ TYR A 83 0.539 -0.451 -16.677 1.00 0.00 C ATOM 1307 OH TYR A 83 -0.418 -0.257 -17.646 1.00 0.00 O ATOM 0 H TYR A 83 5.272 -1.775 -12.043 1.00 0.00 H new ATOM 0 HA TYR A 83 3.168 -3.162 -13.399 1.00 0.00 H new ATOM 0 HB2 TYR A 83 3.118 -0.760 -12.686 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.374 -0.403 -13.855 1.00 0.00 H new ATOM 0 HD1 TYR A 83 1.284 -2.522 -14.135 1.00 0.00 H new ATOM 0 HD2 TYR A 83 3.413 0.885 -15.554 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -0.423 -2.179 -15.866 1.00 0.00 H new ATOM 0 HE2 TYR A 83 1.705 1.235 -17.281 1.00 0.00 H new ATOM 0 HH TYR A 83 -0.185 0.529 -18.183 1.00 0.00 H new ATOM 1317 N ASN A 84 6.028 -2.952 -14.845 1.00 0.00 N ATOM 1318 CA ASN A 84 6.798 -3.322 -16.027 1.00 0.00 C ATOM 1319 C ASN A 84 6.642 -4.808 -16.336 1.00 0.00 C ATOM 1320 O ASN A 84 6.539 -5.204 -17.498 1.00 0.00 O ATOM 1321 CB ASN A 84 8.277 -2.985 -15.823 1.00 0.00 C ATOM 1322 CG ASN A 84 8.597 -1.547 -16.181 1.00 0.00 C ATOM 1323 OD1 ASN A 84 8.875 -1.230 -17.337 1.00 0.00 O ATOM 1324 ND2 ASN A 84 8.560 -0.668 -15.186 1.00 0.00 N ATOM 0 H ASN A 84 6.593 -2.740 -14.022 1.00 0.00 H new ATOM 0 HA ASN A 84 6.414 -2.751 -16.873 1.00 0.00 H new ATOM 0 HB2 ASN A 84 8.548 -3.167 -14.783 1.00 0.00 H new ATOM 0 HB3 ASN A 84 8.886 -3.652 -16.432 1.00 0.00 H new ATOM 0 HD21 ASN A 84 8.767 0.315 -15.366 1.00 0.00 H new ATOM 0 HD22 ASN A 84 8.324 -0.975 -14.242 1.00 0.00 H new