USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 744 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: 1 87 ASN : amide:sc= -7.3! C(o=-7.2!,f=-13!) USER MOD Set 1.2: 1 109 THR OG1 : rot 162:sc= 0.569 USER MOD Set 1.3: 1 110 THR OG1 : rot 101:sc= -0.485 USER MOD Set 2.1: 1 49 THR OG1 : rot 173:sc= -1.83! USER MOD Set 2.2: 1 53 ASN : amide:sc= -4.95! C(o=-6.5!,f=-8.6!) USER MOD Set 2.3: 1 98 SER OG : rot -78:sc= 0.245 USER MOD Set 3.1: 1 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: 1 41 ASN : amide:sc= -16! C(o=-16!,f=-8.2!) USER MOD Set 4.1: 1 30 GLN : amide:sc= -11.6! C(o=-12!,f=-6.4!) USER MOD Set 4.2: 1 77 LYS NZ :NH3+ 166:sc= 0 (180deg=0) USER MOD Single : 1 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 24 TYR OH : rot 136:sc= -7.74! USER MOD Single : 1 31 LYS NZ :NH3+ 128:sc= 0.381 (180deg=-0.697) USER MOD Single : 1 33 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.099) USER MOD Single : 1 37 GLN : amide:sc= -14.9! C(o=-15!,f=-19!) USER MOD Single : 1 40 ASN : amide:sc= -6.15! C(o=-6.1!,f=-8.6!) USER MOD Single : 1 46 THR OG1 : rot -77:sc= 1.05 USER MOD Single : 1 64 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 65 SER OG : rot 180:sc= 0 USER MOD Single : 1 76 GLN : amide:sc=-0.000756 X(o=-0.00076,f=-0.21) USER MOD Single : 1 80 TYR OH : rot 180:sc= 0 USER MOD Single : 1 84 ASN : amide:sc= -4.52! C(o=-4.5!,f=-6.8!) USER MOD Single : 1 86 ASN : amide:sc= -0.663 K(o=-0.66,f=0) USER MOD Single : 1 89 LYS NZ :NH3+ 139:sc= -1.64 (180deg=-4.44!) USER MOD Single : 1 90 SER OG : rot 180:sc= 0 USER MOD Single : 1 93 THR OG1 : rot 180:sc= 0.0996 USER MOD Single : 1 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 1 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 102 SER OG : rot 180:sc= 0 USER MOD Single : 1 105 GLN : amide:sc= -4.14! C(o=-4.1!,f=-4.3!) USER MOD Single : 1 107 ASN : amide:sc= -0.156 X(o=-0.16,f=-0.012) USER MOD Single : 1 113 ASN : amide:sc= -1.28 X(o=-1.3,f=-1.7) USER MOD Single : 1 117 ASN : amide:sc= -15.4! C(o=-15!,f=-22!) USER MOD Single : 1 118 THR OG1 : rot -46:sc= -0.317 USER MOD Single : 1 119 THR OG1 : rot -46:sc= 0.544 USER MOD Single : 1 120 SER OG : rot 53:sc= 0.563 USER MOD Single : 1 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 123 ASN : amide:sc= -21.6! C(o=-22!,f=-20!) USER MOD Single : 1 126 TYR OH : rot 180:sc= 0 USER MOD Single : 1 128 LYS NZ :NH3+ 180:sc= 0.00122 (180deg=0.00122) USER MOD ----------------------------------------------------------------- ATOM 320 N LYS 1 22 10.043 -0.168 -3.745 1.00 0.00 N ATOM 321 CA LYS 1 22 10.448 -1.556 -3.611 1.00 0.00 C ATOM 322 C LYS 1 22 9.247 -2.452 -3.304 1.00 0.00 C ATOM 323 O LYS 1 22 8.144 -1.972 -3.040 1.00 0.00 O ATOM 324 CB LYS 1 22 11.508 -1.694 -2.523 1.00 0.00 C ATOM 325 CG LYS 1 22 12.921 -1.862 -3.065 1.00 0.00 C ATOM 326 CD LYS 1 22 13.075 -3.166 -3.834 1.00 0.00 C ATOM 327 CE LYS 1 22 14.331 -3.918 -3.425 1.00 0.00 C ATOM 328 NZ LYS 1 22 14.217 -5.379 -3.693 1.00 0.00 N ATOM 0 HA LYS 1 22 10.875 -1.879 -4.561 1.00 0.00 H new ATOM 0 HB2 LYS 1 22 11.476 -0.812 -1.883 1.00 0.00 H new ATOM 0 HB3 LYS 1 22 11.264 -2.552 -1.897 1.00 0.00 H new ATOM 0 HG2 LYS 1 22 13.163 -1.023 -3.718 1.00 0.00 H new ATOM 0 HG3 LYS 1 22 13.633 -1.839 -2.240 1.00 0.00 H new ATOM 0 HD2 LYS 1 22 12.202 -3.795 -3.661 1.00 0.00 H new ATOM 0 HD3 LYS 1 22 13.109 -2.956 -4.903 1.00 0.00 H new ATOM 0 HE2 LYS 1 22 15.187 -3.516 -3.966 1.00 0.00 H new ATOM 0 HE3 LYS 1 22 14.521 -3.757 -2.364 1.00 0.00 H new ATOM 0 HZ1 LYS 1 22 15.094 -5.855 -3.400 1.00 0.00 H new ATOM 0 HZ2 LYS 1 22 13.416 -5.769 -3.157 1.00 0.00 H new ATOM 0 HZ3 LYS 1 22 14.062 -5.534 -4.710 1.00 0.00 H new ATOM 342 N ILE 1 23 9.469 -3.756 -3.393 1.00 0.00 N ATOM 343 CA ILE 1 23 8.438 -4.755 -3.185 1.00 0.00 C ATOM 344 C ILE 1 23 8.006 -4.952 -1.729 1.00 0.00 C ATOM 345 O ILE 1 23 8.773 -4.744 -0.788 1.00 0.00 O ATOM 346 CB ILE 1 23 8.930 -6.096 -3.772 1.00 0.00 C ATOM 347 CG1 ILE 1 23 8.069 -6.456 -4.963 1.00 0.00 C ATOM 348 CG2 ILE 1 23 8.940 -7.217 -2.738 1.00 0.00 C ATOM 349 CD1 ILE 1 23 8.865 -6.819 -6.194 1.00 0.00 C ATOM 0 H ILE 1 23 10.383 -4.152 -3.615 1.00 0.00 H new ATOM 0 HA ILE 1 23 7.547 -4.387 -3.694 1.00 0.00 H new ATOM 0 HB ILE 1 23 9.965 -5.973 -4.090 1.00 0.00 H new ATOM 0 HG12 ILE 1 23 7.425 -7.294 -4.696 1.00 0.00 H new ATOM 0 HG13 ILE 1 23 7.416 -5.615 -5.197 1.00 0.00 H new ATOM 0 HG21 ILE 1 23 9.294 -8.137 -3.203 1.00 0.00 H new ATOM 0 HG22 ILE 1 23 9.603 -6.948 -1.916 1.00 0.00 H new ATOM 0 HG23 ILE 1 23 7.931 -7.368 -2.356 1.00 0.00 H new ATOM 0 HD11 ILE 1 23 8.184 -7.066 -7.008 1.00 0.00 H new ATOM 0 HD12 ILE 1 23 9.489 -5.974 -6.486 1.00 0.00 H new ATOM 0 HD13 ILE 1 23 9.498 -7.680 -5.977 1.00 0.00 H new ATOM 361 N TYR 1 24 6.762 -5.421 -1.594 1.00 0.00 N ATOM 362 CA TYR 1 24 6.137 -5.749 -0.328 1.00 0.00 C ATOM 363 C TYR 1 24 6.100 -7.261 -0.245 1.00 0.00 C ATOM 364 O TYR 1 24 6.338 -7.928 -1.244 1.00 0.00 O ATOM 365 CB TYR 1 24 4.700 -5.264 -0.313 1.00 0.00 C ATOM 366 CG TYR 1 24 4.432 -3.949 0.368 1.00 0.00 C ATOM 367 CD1 TYR 1 24 4.836 -2.749 -0.189 1.00 0.00 C ATOM 368 CD2 TYR 1 24 3.730 -3.912 1.561 1.00 0.00 C ATOM 369 CE1 TYR 1 24 4.548 -1.550 0.427 1.00 0.00 C ATOM 370 CE2 TYR 1 24 3.444 -2.724 2.187 1.00 0.00 C ATOM 371 CZ TYR 1 24 3.851 -1.547 1.618 1.00 0.00 C ATOM 372 OH TYR 1 24 3.544 -0.361 2.230 1.00 0.00 O ATOM 0 H TYR 1 24 6.150 -5.585 -2.394 1.00 0.00 H new ATOM 0 HA TYR 1 24 6.686 -5.290 0.494 1.00 0.00 H new ATOM 0 HB2 TYR 1 24 4.357 -5.188 -1.345 1.00 0.00 H new ATOM 0 HB3 TYR 1 24 4.090 -6.027 0.170 1.00 0.00 H new ATOM 0 HD1 TYR 1 24 5.385 -2.752 -1.119 1.00 0.00 H new ATOM 0 HD2 TYR 1 24 3.400 -4.838 2.009 1.00 0.00 H new ATOM 0 HE1 TYR 1 24 4.866 -0.619 -0.019 1.00 0.00 H new ATOM 0 HE2 TYR 1 24 2.902 -2.718 3.121 1.00 0.00 H new ATOM 0 HH TYR 1 24 2.615 -0.385 2.542 1.00 0.00 H new ATOM 382 N LYS 1 25 5.770 -7.817 0.899 1.00 0.00 N ATOM 383 CA LYS 1 25 5.680 -9.266 1.000 1.00 0.00 C ATOM 384 C LYS 1 25 4.261 -9.705 1.329 1.00 0.00 C ATOM 385 O LYS 1 25 3.787 -9.520 2.441 1.00 0.00 O ATOM 386 CB LYS 1 25 6.638 -9.793 2.042 1.00 0.00 C ATOM 387 CG LYS 1 25 8.079 -9.883 1.552 1.00 0.00 C ATOM 388 CD LYS 1 25 8.474 -11.313 1.213 1.00 0.00 C ATOM 389 CE LYS 1 25 8.600 -12.172 2.463 1.00 0.00 C ATOM 390 NZ LYS 1 25 9.923 -12.851 2.545 1.00 0.00 N ATOM 0 H LYS 1 25 5.563 -7.307 1.758 1.00 0.00 H new ATOM 0 HA LYS 1 25 5.954 -9.681 0.030 1.00 0.00 H new ATOM 0 HB2 LYS 1 25 6.600 -9.147 2.919 1.00 0.00 H new ATOM 0 HB3 LYS 1 25 6.308 -10.782 2.360 1.00 0.00 H new ATOM 0 HG2 LYS 1 25 8.203 -9.253 0.671 1.00 0.00 H new ATOM 0 HG3 LYS 1 25 8.748 -9.493 2.319 1.00 0.00 H new ATOM 0 HD2 LYS 1 25 7.730 -11.748 0.546 1.00 0.00 H new ATOM 0 HD3 LYS 1 25 9.422 -11.311 0.675 1.00 0.00 H new ATOM 0 HE2 LYS 1 25 8.457 -11.549 3.346 1.00 0.00 H new ATOM 0 HE3 LYS 1 25 7.808 -12.921 2.469 1.00 0.00 H new ATOM 0 HZ1 LYS 1 25 9.966 -13.425 3.411 1.00 0.00 H new ATOM 0 HZ2 LYS 1 25 10.050 -13.466 1.716 1.00 0.00 H new ATOM 0 HZ3 LYS 1 25 10.679 -12.137 2.565 1.00 0.00 H new ATOM 404 N VAL 1 26 3.576 -10.298 0.376 1.00 0.00 N ATOM 405 CA VAL 1 26 2.233 -10.743 0.630 1.00 0.00 C ATOM 406 C VAL 1 26 2.259 -12.033 1.402 1.00 0.00 C ATOM 407 O VAL 1 26 2.168 -13.129 0.846 1.00 0.00 O ATOM 408 CB VAL 1 26 1.383 -10.882 -0.626 1.00 0.00 C ATOM 409 CG1 VAL 1 26 0.082 -10.198 -0.364 1.00 0.00 C ATOM 410 CG2 VAL 1 26 2.062 -10.269 -1.824 1.00 0.00 C ATOM 0 H VAL 1 26 3.924 -10.479 -0.566 1.00 0.00 H new ATOM 0 HA VAL 1 26 1.754 -9.965 1.224 1.00 0.00 H new ATOM 0 HB VAL 1 26 1.232 -11.937 -0.853 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 -0.555 -10.278 -1.245 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 -0.413 -10.670 0.485 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 0.262 -9.147 -0.140 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 1.427 -10.387 -2.702 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 2.235 -9.209 -1.641 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 3.016 -10.768 -1.997 1.00 0.00 H new ATOM 420 N ASP 1 27 2.424 -11.851 2.694 1.00 0.00 N ATOM 421 CA ASP 1 27 2.514 -12.948 3.655 1.00 0.00 C ATOM 422 C ASP 1 27 1.143 -13.480 4.034 1.00 0.00 C ATOM 423 O ASP 1 27 1.005 -14.650 4.395 1.00 0.00 O ATOM 424 CB ASP 1 27 3.309 -12.504 4.895 1.00 0.00 C ATOM 425 CG ASP 1 27 4.801 -12.550 4.639 1.00 0.00 C ATOM 426 OD1 ASP 1 27 5.407 -13.623 4.843 1.00 0.00 O ATOM 427 OD2 ASP 1 27 5.366 -11.512 4.233 1.00 0.00 O ATOM 0 H ASP 1 27 2.501 -10.928 3.120 1.00 0.00 H new ATOM 0 HA ASP 1 27 3.048 -13.771 3.180 1.00 0.00 H new ATOM 0 HB2 ASP 1 27 3.017 -11.491 5.173 1.00 0.00 H new ATOM 0 HB3 ASP 1 27 3.063 -13.150 5.738 1.00 0.00 H new ATOM 432 N ASP 1 28 0.129 -12.631 3.953 1.00 0.00 N ATOM 433 CA ASP 1 28 -1.222 -13.058 4.293 1.00 0.00 C ATOM 434 C ASP 1 28 -2.254 -11.965 4.037 1.00 0.00 C ATOM 435 O ASP 1 28 -2.216 -10.902 4.655 1.00 0.00 O ATOM 436 CB ASP 1 28 -1.273 -13.474 5.762 1.00 0.00 C ATOM 437 CG ASP 1 28 -2.359 -14.498 6.041 1.00 0.00 C ATOM 438 OD1 ASP 1 28 -2.173 -15.676 5.671 1.00 0.00 O ATOM 439 OD2 ASP 1 28 -3.394 -14.121 6.630 1.00 0.00 O ATOM 0 H ASP 1 28 0.212 -11.658 3.660 1.00 0.00 H new ATOM 0 HA ASP 1 28 -1.471 -13.903 3.651 1.00 0.00 H new ATOM 0 HB2 ASP 1 28 -0.307 -13.886 6.053 1.00 0.00 H new ATOM 0 HB3 ASP 1 28 -1.443 -12.592 6.380 1.00 0.00 H new ATOM 444 N LEU 1 29 -3.202 -12.246 3.149 1.00 0.00 N ATOM 445 CA LEU 1 29 -4.258 -11.304 2.856 1.00 0.00 C ATOM 446 C LEU 1 29 -5.609 -11.998 2.889 1.00 0.00 C ATOM 447 O LEU 1 29 -5.769 -13.103 2.384 1.00 0.00 O ATOM 448 CB LEU 1 29 -4.041 -10.602 1.537 1.00 0.00 C ATOM 449 CG LEU 1 29 -5.281 -10.526 0.673 1.00 0.00 C ATOM 450 CD1 LEU 1 29 -5.394 -9.180 0.011 1.00 0.00 C ATOM 451 CD2 LEU 1 29 -5.257 -11.652 -0.317 1.00 0.00 C ATOM 0 H LEU 1 29 -3.254 -13.119 2.624 1.00 0.00 H new ATOM 0 HA LEU 1 29 -4.240 -10.537 3.630 1.00 0.00 H new ATOM 0 HB2 LEU 1 29 -3.681 -9.591 1.729 1.00 0.00 H new ATOM 0 HB3 LEU 1 29 -3.257 -11.120 0.985 1.00 0.00 H new ATOM 0 HG LEU 1 29 -6.171 -10.636 1.293 1.00 0.00 H new ATOM 0 HD11 LEU 1 29 -6.293 -9.151 -0.604 1.00 0.00 H new ATOM 0 HD12 LEU 1 29 -5.451 -8.403 0.773 1.00 0.00 H new ATOM 0 HD13 LEU 1 29 -4.520 -9.009 -0.617 1.00 0.00 H new ATOM 0 HD21 LEU 1 29 -6.148 -11.604 -0.944 1.00 0.00 H new ATOM 0 HD22 LEU 1 29 -4.368 -11.568 -0.942 1.00 0.00 H new ATOM 0 HD23 LEU 1 29 -5.238 -12.603 0.215 1.00 0.00 H new ATOM 463 N GLN 1 30 -6.562 -11.328 3.512 1.00 0.00 N ATOM 464 CA GLN 1 30 -7.918 -11.839 3.685 1.00 0.00 C ATOM 465 C GLN 1 30 -8.970 -10.849 3.263 1.00 0.00 C ATOM 466 O GLN 1 30 -8.732 -9.647 3.247 1.00 0.00 O ATOM 467 CB GLN 1 30 -8.159 -12.143 5.172 1.00 0.00 C ATOM 468 CG GLN 1 30 -8.175 -13.615 5.508 1.00 0.00 C ATOM 469 CD GLN 1 30 -6.857 -14.259 5.198 1.00 0.00 C ATOM 470 OE1 GLN 1 30 -6.144 -14.729 6.086 1.00 0.00 O ATOM 471 NE2 GLN 1 30 -6.534 -14.285 3.921 1.00 0.00 N ATOM 0 H GLN 1 30 -6.419 -10.403 3.918 1.00 0.00 H new ATOM 0 HA GLN 1 30 -7.999 -12.729 3.060 1.00 0.00 H new ATOM 0 HB2 GLN 1 30 -7.382 -11.656 5.761 1.00 0.00 H new ATOM 0 HB3 GLN 1 30 -9.110 -11.703 5.472 1.00 0.00 H new ATOM 0 HG2 GLN 1 30 -8.407 -13.746 6.565 1.00 0.00 H new ATOM 0 HG3 GLN 1 30 -8.966 -14.110 4.944 1.00 0.00 H new ATOM 0 HE21 GLN 1 30 -7.163 -13.880 3.227 1.00 0.00 H new ATOM 0 HE22 GLN 1 30 -5.655 -14.710 3.626 1.00 0.00 H new ATOM 480 N LYS 1 31 -10.173 -11.347 3.006 1.00 0.00 N ATOM 481 CA LYS 1 31 -11.247 -10.455 2.714 1.00 0.00 C ATOM 482 C LYS 1 31 -11.542 -9.799 4.052 1.00 0.00 C ATOM 483 O LYS 1 31 -12.015 -10.450 4.984 1.00 0.00 O ATOM 484 CB LYS 1 31 -12.451 -11.182 2.148 1.00 0.00 C ATOM 485 CG LYS 1 31 -12.953 -10.555 0.868 1.00 0.00 C ATOM 486 CD LYS 1 31 -12.961 -9.037 0.945 1.00 0.00 C ATOM 487 CE LYS 1 31 -14.360 -8.478 0.751 1.00 0.00 C ATOM 488 NZ LYS 1 31 -14.441 -7.571 -0.428 1.00 0.00 N ATOM 0 H LYS 1 31 -10.410 -12.339 2.997 1.00 0.00 H new ATOM 0 HA LYS 1 31 -10.992 -9.727 1.944 1.00 0.00 H new ATOM 0 HB2 LYS 1 31 -12.188 -12.223 1.961 1.00 0.00 H new ATOM 0 HB3 LYS 1 31 -13.252 -11.183 2.887 1.00 0.00 H new ATOM 0 HG2 LYS 1 31 -12.323 -10.873 0.037 1.00 0.00 H new ATOM 0 HG3 LYS 1 31 -13.961 -10.913 0.659 1.00 0.00 H new ATOM 0 HD2 LYS 1 31 -12.571 -8.718 1.912 1.00 0.00 H new ATOM 0 HD3 LYS 1 31 -12.296 -8.629 0.184 1.00 0.00 H new ATOM 0 HE2 LYS 1 31 -15.064 -9.300 0.625 1.00 0.00 H new ATOM 0 HE3 LYS 1 31 -14.661 -7.935 1.647 1.00 0.00 H new ATOM 0 HZ1 LYS 1 31 -15.224 -7.870 -1.043 1.00 0.00 H new ATOM 0 HZ2 LYS 1 31 -14.607 -6.596 -0.105 1.00 0.00 H new ATOM 0 HZ3 LYS 1 31 -13.548 -7.612 -0.960 1.00 0.00 H new ATOM 502 N ILE 1 32 -11.095 -8.567 4.190 1.00 0.00 N ATOM 503 CA ILE 1 32 -11.137 -7.886 5.469 1.00 0.00 C ATOM 504 C ILE 1 32 -11.884 -6.555 5.437 1.00 0.00 C ATOM 505 O ILE 1 32 -11.509 -5.626 4.723 1.00 0.00 O ATOM 506 CB ILE 1 32 -9.654 -7.721 5.862 1.00 0.00 C ATOM 507 CG1 ILE 1 32 -8.997 -9.101 5.789 1.00 0.00 C ATOM 508 CG2 ILE 1 32 -9.424 -7.070 7.210 1.00 0.00 C ATOM 509 CD1 ILE 1 32 -8.082 -9.412 6.924 1.00 0.00 C ATOM 0 H ILE 1 32 -10.697 -8.015 3.430 1.00 0.00 H new ATOM 0 HA ILE 1 32 -11.703 -8.461 6.202 1.00 0.00 H new ATOM 0 HB ILE 1 32 -9.198 -7.026 5.157 1.00 0.00 H new ATOM 0 HG12 ILE 1 32 -9.779 -9.860 5.751 1.00 0.00 H new ATOM 0 HG13 ILE 1 32 -8.437 -9.174 4.857 1.00 0.00 H new ATOM 0 HG21 ILE 1 32 -8.353 -6.996 7.400 1.00 0.00 H new ATOM 0 HG22 ILE 1 32 -9.862 -6.072 7.212 1.00 0.00 H new ATOM 0 HG23 ILE 1 32 -9.890 -7.673 7.989 1.00 0.00 H new ATOM 0 HD11 ILE 1 32 -7.662 -10.409 6.790 1.00 0.00 H new ATOM 0 HD12 ILE 1 32 -7.276 -8.679 6.953 1.00 0.00 H new ATOM 0 HD13 ILE 1 32 -8.639 -9.376 7.860 1.00 0.00 H new ATOM 521 N ASN 1 33 -12.954 -6.484 6.230 1.00 0.00 N ATOM 522 CA ASN 1 33 -13.778 -5.288 6.315 1.00 0.00 C ATOM 523 C ASN 1 33 -14.389 -4.963 4.959 1.00 0.00 C ATOM 524 O ASN 1 33 -14.486 -3.799 4.568 1.00 0.00 O ATOM 525 CB ASN 1 33 -12.949 -4.115 6.829 1.00 0.00 C ATOM 526 CG ASN 1 33 -13.079 -3.942 8.329 1.00 0.00 C ATOM 527 OD1 ASN 1 33 -13.705 -2.994 8.805 1.00 0.00 O ATOM 528 ND2 ASN 1 33 -12.488 -4.862 9.083 1.00 0.00 N ATOM 0 H ASN 1 33 -13.268 -7.250 6.825 1.00 0.00 H new ATOM 0 HA ASN 1 33 -14.591 -5.472 7.017 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 -11.901 -4.271 6.572 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 -13.267 -3.200 6.330 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 -12.542 -4.800 10.100 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 -11.980 -5.631 8.645 1.00 0.00 H new ATOM 535 N GLY 1 34 -14.803 -6.007 4.245 1.00 0.00 N ATOM 536 CA GLY 1 34 -15.395 -5.833 2.941 1.00 0.00 C ATOM 537 C GLY 1 34 -14.371 -5.480 1.878 1.00 0.00 C ATOM 538 O GLY 1 34 -14.724 -5.202 0.732 1.00 0.00 O ATOM 0 H GLY 1 34 -14.735 -6.976 4.555 1.00 0.00 H new ATOM 0 HA2 GLY 1 34 -15.910 -6.750 2.654 1.00 0.00 H new ATOM 0 HA3 GLY 1 34 -16.148 -5.047 2.990 1.00 0.00 H new ATOM 542 N ILE 1 35 -13.099 -5.482 2.266 1.00 0.00 N ATOM 543 CA ILE 1 35 -12.014 -5.154 1.367 1.00 0.00 C ATOM 544 C ILE 1 35 -10.851 -6.117 1.583 1.00 0.00 C ATOM 545 O ILE 1 35 -10.486 -6.404 2.720 1.00 0.00 O ATOM 546 CB ILE 1 35 -11.515 -3.713 1.613 1.00 0.00 C ATOM 547 CG1 ILE 1 35 -12.199 -3.102 2.845 1.00 0.00 C ATOM 548 CG2 ILE 1 35 -11.744 -2.842 0.384 1.00 0.00 C ATOM 549 CD1 ILE 1 35 -11.253 -2.359 3.756 1.00 0.00 C ATOM 0 H ILE 1 35 -12.799 -5.712 3.213 1.00 0.00 H new ATOM 0 HA ILE 1 35 -12.386 -5.237 0.346 1.00 0.00 H new ATOM 0 HB ILE 1 35 -10.443 -3.756 1.804 1.00 0.00 H new ATOM 0 HG12 ILE 1 35 -12.982 -2.420 2.514 1.00 0.00 H new ATOM 0 HG13 ILE 1 35 -12.686 -3.896 3.411 1.00 0.00 H new ATOM 0 HG21 ILE 1 35 -11.385 -1.832 0.582 1.00 0.00 H new ATOM 0 HG22 ILE 1 35 -11.202 -3.260 -0.464 1.00 0.00 H new ATOM 0 HG23 ILE 1 35 -12.809 -2.810 0.154 1.00 0.00 H new ATOM 0 HD11 ILE 1 35 -11.806 -1.955 4.604 1.00 0.00 H new ATOM 0 HD12 ILE 1 35 -10.484 -3.042 4.117 1.00 0.00 H new ATOM 0 HD13 ILE 1 35 -10.785 -1.543 3.206 1.00 0.00 H new ATOM 561 N TRP 1 36 -10.252 -6.599 0.503 1.00 0.00 N ATOM 562 CA TRP 1 36 -9.125 -7.514 0.629 1.00 0.00 C ATOM 563 C TRP 1 36 -8.004 -6.822 1.398 1.00 0.00 C ATOM 564 O TRP 1 36 -7.653 -5.688 1.085 1.00 0.00 O ATOM 565 CB TRP 1 36 -8.634 -7.952 -0.753 1.00 0.00 C ATOM 566 CG TRP 1 36 -9.550 -8.939 -1.410 1.00 0.00 C ATOM 567 CD1 TRP 1 36 -10.297 -8.744 -2.534 1.00 0.00 C ATOM 568 CD2 TRP 1 36 -9.832 -10.272 -0.967 1.00 0.00 C ATOM 569 NE1 TRP 1 36 -11.022 -9.875 -2.821 1.00 0.00 N ATOM 570 CE2 TRP 1 36 -10.754 -10.827 -1.873 1.00 0.00 C ATOM 571 CE3 TRP 1 36 -9.391 -11.050 0.108 1.00 0.00 C ATOM 572 CZ2 TRP 1 36 -11.245 -12.123 -1.735 1.00 0.00 C ATOM 573 CZ3 TRP 1 36 -9.880 -12.335 0.245 1.00 0.00 C ATOM 574 CH2 TRP 1 36 -10.798 -12.862 -0.673 1.00 0.00 C ATOM 0 H TRP 1 36 -10.521 -6.377 -0.455 1.00 0.00 H new ATOM 0 HA TRP 1 36 -9.441 -8.405 1.172 1.00 0.00 H new ATOM 0 HB2 TRP 1 36 -8.534 -7.075 -1.392 1.00 0.00 H new ATOM 0 HB3 TRP 1 36 -7.641 -8.392 -0.658 1.00 0.00 H new ATOM 0 HD1 TRP 1 36 -10.316 -7.833 -3.114 1.00 0.00 H new ATOM 0 HE1 TRP 1 36 -11.657 -9.988 -3.611 1.00 0.00 H new ATOM 0 HE3 TRP 1 36 -8.681 -10.654 0.819 1.00 0.00 H new ATOM 0 HZ2 TRP 1 36 -11.953 -12.531 -2.441 1.00 0.00 H new ATOM 0 HZ3 TRP 1 36 -9.549 -12.943 1.074 1.00 0.00 H new ATOM 0 HH2 TRP 1 36 -11.160 -13.871 -0.540 1.00 0.00 H new ATOM 585 N GLN 1 37 -7.462 -7.481 2.420 1.00 0.00 N ATOM 586 CA GLN 1 37 -6.414 -6.873 3.226 1.00 0.00 C ATOM 587 C GLN 1 37 -5.124 -7.641 3.120 1.00 0.00 C ATOM 588 O GLN 1 37 -5.132 -8.849 2.960 1.00 0.00 O ATOM 589 CB GLN 1 37 -6.854 -6.795 4.678 1.00 0.00 C ATOM 590 CG GLN 1 37 -5.781 -6.328 5.638 1.00 0.00 C ATOM 591 CD GLN 1 37 -5.650 -7.172 6.912 1.00 0.00 C ATOM 592 OE1 GLN 1 37 -5.732 -6.660 8.029 1.00 0.00 O ATOM 593 NE2 GLN 1 37 -5.435 -8.463 6.766 1.00 0.00 N ATOM 0 H GLN 1 37 -7.729 -8.423 2.705 1.00 0.00 H new ATOM 0 HA GLN 1 37 -6.239 -5.867 2.846 1.00 0.00 H new ATOM 0 HB2 GLN 1 37 -7.706 -6.119 4.750 1.00 0.00 H new ATOM 0 HB3 GLN 1 37 -7.201 -7.780 4.992 1.00 0.00 H new ATOM 0 HG2 GLN 1 37 -4.823 -6.328 5.118 1.00 0.00 H new ATOM 0 HG3 GLN 1 37 -5.990 -5.297 5.922 1.00 0.00 H new ATOM 0 HE21 GLN 1 37 -5.371 -8.867 5.832 1.00 0.00 H new ATOM 0 HE22 GLN 1 37 -5.333 -9.059 7.587 1.00 0.00 H new ATOM 602 N VAL 1 38 -4.018 -6.917 3.190 1.00 0.00 N ATOM 603 CA VAL 1 38 -2.709 -7.527 3.054 1.00 0.00 C ATOM 604 C VAL 1 38 -1.855 -7.469 4.314 1.00 0.00 C ATOM 605 O VAL 1 38 -1.973 -6.542 5.129 1.00 0.00 O ATOM 606 CB VAL 1 38 -1.943 -6.843 1.908 1.00 0.00 C ATOM 607 CG1 VAL 1 38 -0.657 -7.596 1.619 1.00 0.00 C ATOM 608 CG2 VAL 1 38 -2.817 -6.771 0.666 1.00 0.00 C ATOM 0 H VAL 1 38 -4.003 -5.908 3.340 1.00 0.00 H new ATOM 0 HA VAL 1 38 -2.891 -8.582 2.848 1.00 0.00 H new ATOM 0 HB VAL 1 38 -1.686 -5.827 2.207 1.00 0.00 H new ATOM 0 HG11 VAL 1 38 -0.122 -7.104 0.807 1.00 0.00 H new ATOM 0 HG12 VAL 1 38 -0.032 -7.605 2.512 1.00 0.00 H new ATOM 0 HG13 VAL 1 38 -0.892 -8.621 1.331 1.00 0.00 H new ATOM 0 HG21 VAL 1 38 -2.266 -6.285 -0.139 1.00 0.00 H new ATOM 0 HG22 VAL 1 38 -3.096 -7.779 0.358 1.00 0.00 H new ATOM 0 HG23 VAL 1 38 -3.717 -6.197 0.887 1.00 0.00 H new ATOM 618 N ARG 1 39 -0.978 -8.481 4.441 1.00 0.00 N ATOM 619 CA ARG 1 39 -0.052 -8.584 5.560 1.00 0.00 C ATOM 620 C ARG 1 39 1.292 -9.174 5.120 1.00 0.00 C ATOM 621 O ARG 1 39 1.323 -10.172 4.399 1.00 0.00 O ATOM 622 CB ARG 1 39 -0.650 -9.451 6.669 1.00 0.00 C ATOM 623 CG ARG 1 39 -1.879 -8.845 7.297 1.00 0.00 C ATOM 624 CD ARG 1 39 -2.855 -9.900 7.792 1.00 0.00 C ATOM 625 NE ARG 1 39 -2.188 -10.989 8.506 1.00 0.00 N ATOM 626 CZ ARG 1 39 -2.640 -11.523 9.640 1.00 0.00 C ATOM 627 NH1 ARG 1 39 -3.742 -11.054 10.215 1.00 0.00 N ATOM 628 NH2 ARG 1 39 -1.987 -12.530 10.205 1.00 0.00 N ATOM 0 H ARG 1 39 -0.899 -9.243 3.768 1.00 0.00 H new ATOM 0 HA ARG 1 39 0.119 -7.576 5.938 1.00 0.00 H new ATOM 0 HB2 ARG 1 39 -0.903 -10.429 6.260 1.00 0.00 H new ATOM 0 HB3 ARG 1 39 0.103 -9.613 7.441 1.00 0.00 H new ATOM 0 HG2 ARG 1 39 -1.582 -8.209 8.131 1.00 0.00 H new ATOM 0 HG3 ARG 1 39 -2.378 -8.205 6.569 1.00 0.00 H new ATOM 0 HD2 ARG 1 39 -3.587 -9.433 8.451 1.00 0.00 H new ATOM 0 HD3 ARG 1 39 -3.404 -10.309 6.944 1.00 0.00 H new ATOM 0 HE ARG 1 39 -1.324 -11.362 8.112 1.00 0.00 H new ATOM 0 HH11 ARG 1 39 -4.250 -10.279 9.788 1.00 0.00 H new ATOM 0 HH12 ARG 1 39 -4.081 -11.469 11.083 1.00 0.00 H new ATOM 0 HH21 ARG 1 39 -1.139 -12.895 9.771 1.00 0.00 H new ATOM 0 HH22 ARG 1 39 -2.333 -12.939 11.073 1.00 0.00 H new ATOM 642 N ASN 1 40 2.400 -8.622 5.622 1.00 0.00 N ATOM 643 CA ASN 1 40 3.707 -9.174 5.342 1.00 0.00 C ATOM 644 C ASN 1 40 4.428 -9.373 6.632 1.00 0.00 C ATOM 645 O ASN 1 40 4.186 -8.701 7.615 1.00 0.00 O ATOM 646 CB ASN 1 40 4.632 -8.356 4.447 1.00 0.00 C ATOM 647 CG ASN 1 40 3.987 -7.237 3.681 1.00 0.00 C ATOM 648 OD1 ASN 1 40 2.832 -7.321 3.266 1.00 0.00 O ATOM 649 ND2 ASN 1 40 4.752 -6.177 3.493 1.00 0.00 N ATOM 0 H ASN 1 40 2.407 -7.797 6.221 1.00 0.00 H new ATOM 0 HA ASN 1 40 3.490 -10.089 4.792 1.00 0.00 H new ATOM 0 HB2 ASN 1 40 5.425 -7.936 5.065 1.00 0.00 H new ATOM 0 HB3 ASN 1 40 5.106 -9.031 3.735 1.00 0.00 H new ATOM 0 HD21 ASN 1 40 4.391 -5.372 2.980 1.00 0.00 H new ATOM 0 HD22 ASN 1 40 5.703 -6.163 3.860 1.00 0.00 H new ATOM 656 N ASN 1 41 5.306 -10.308 6.598 1.00 0.00 N ATOM 657 CA ASN 1 41 6.110 -10.655 7.742 1.00 0.00 C ATOM 658 C ASN 1 41 6.988 -9.482 8.223 1.00 0.00 C ATOM 659 O ASN 1 41 7.473 -9.499 9.355 1.00 0.00 O ATOM 660 CB ASN 1 41 7.008 -11.849 7.393 1.00 0.00 C ATOM 661 CG ASN 1 41 7.606 -11.755 5.989 1.00 0.00 C ATOM 662 OD1 ASN 1 41 8.171 -12.722 5.479 1.00 0.00 O ATOM 663 ND2 ASN 1 41 7.483 -10.584 5.364 1.00 0.00 N ATOM 0 H ASN 1 41 5.499 -10.870 5.769 1.00 0.00 H new ATOM 0 HA ASN 1 41 5.428 -10.910 8.553 1.00 0.00 H new ATOM 0 HB2 ASN 1 41 7.815 -11.915 8.122 1.00 0.00 H new ATOM 0 HB3 ASN 1 41 6.429 -12.769 7.475 1.00 0.00 H new ATOM 0 HD21 ASN 1 41 7.865 -10.464 4.426 1.00 0.00 H new ATOM 0 HD22 ASN 1 41 7.007 -9.808 5.824 1.00 0.00 H new ATOM 670 N ILE 1 42 7.205 -8.472 7.367 1.00 0.00 N ATOM 671 CA ILE 1 42 8.022 -7.342 7.713 1.00 0.00 C ATOM 672 C ILE 1 42 7.234 -6.334 8.509 1.00 0.00 C ATOM 673 O ILE 1 42 7.653 -5.879 9.572 1.00 0.00 O ATOM 674 CB ILE 1 42 8.508 -6.637 6.459 1.00 0.00 C ATOM 675 CG1 ILE 1 42 9.086 -7.638 5.492 1.00 0.00 C ATOM 676 CG2 ILE 1 42 9.514 -5.591 6.816 1.00 0.00 C ATOM 677 CD1 ILE 1 42 8.089 -8.020 4.444 1.00 0.00 C ATOM 0 H ILE 1 42 6.814 -8.433 6.426 1.00 0.00 H new ATOM 0 HA ILE 1 42 8.861 -7.719 8.298 1.00 0.00 H new ATOM 0 HB ILE 1 42 7.664 -6.146 5.974 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 9.973 -7.218 5.017 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 9.406 -8.528 6.034 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 9.856 -5.091 5.910 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 9.058 -4.860 7.483 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 10.363 -6.058 7.316 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 8.537 -8.743 3.762 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 7.213 -8.463 4.919 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 7.789 -7.133 3.886 1.00 0.00 H new ATOM 689 N LEU 1 43 6.077 -5.996 7.969 1.00 0.00 N ATOM 690 CA LEU 1 43 5.198 -5.053 8.600 1.00 0.00 C ATOM 691 C LEU 1 43 4.081 -5.771 9.323 1.00 0.00 C ATOM 692 O LEU 1 43 3.338 -5.160 10.084 1.00 0.00 O ATOM 693 CB LEU 1 43 4.598 -4.098 7.579 1.00 0.00 C ATOM 694 CG LEU 1 43 5.595 -3.398 6.661 1.00 0.00 C ATOM 695 CD1 LEU 1 43 6.935 -3.185 7.351 1.00 0.00 C ATOM 696 CD2 LEU 1 43 5.770 -4.177 5.370 1.00 0.00 C ATOM 0 H LEU 1 43 5.730 -6.370 7.086 1.00 0.00 H new ATOM 0 HA LEU 1 43 5.788 -4.482 9.317 1.00 0.00 H new ATOM 0 HB2 LEU 1 43 3.891 -4.653 6.962 1.00 0.00 H new ATOM 0 HB3 LEU 1 43 4.027 -3.338 8.112 1.00 0.00 H new ATOM 0 HG LEU 1 43 5.191 -2.415 6.419 1.00 0.00 H new ATOM 0 HD11 LEU 1 43 7.621 -2.684 6.668 1.00 0.00 H new ATOM 0 HD12 LEU 1 43 6.793 -2.569 8.239 1.00 0.00 H new ATOM 0 HD13 LEU 1 43 7.352 -4.149 7.641 1.00 0.00 H new ATOM 0 HD21 LEU 1 43 6.485 -3.662 4.728 1.00 0.00 H new ATOM 0 HD22 LEU 1 43 6.140 -5.177 5.596 1.00 0.00 H new ATOM 0 HD23 LEU 1 43 4.811 -4.252 4.858 1.00 0.00 H new ATOM 708 N VAL 1 44 3.937 -7.069 9.071 1.00 0.00 N ATOM 709 CA VAL 1 44 2.874 -7.813 9.710 1.00 0.00 C ATOM 710 C VAL 1 44 3.256 -9.247 9.956 1.00 0.00 C ATOM 711 O VAL 1 44 2.736 -10.166 9.324 1.00 0.00 O ATOM 712 CB VAL 1 44 1.564 -7.774 8.934 1.00 0.00 C ATOM 713 CG1 VAL 1 44 0.407 -8.073 9.873 1.00 0.00 C ATOM 714 CG2 VAL 1 44 1.373 -6.433 8.250 1.00 0.00 C ATOM 0 H VAL 1 44 4.531 -7.611 8.443 1.00 0.00 H new ATOM 0 HA VAL 1 44 2.718 -7.312 10.665 1.00 0.00 H new ATOM 0 HB VAL 1 44 1.595 -8.536 8.155 1.00 0.00 H new ATOM 0 HG11 VAL 1 44 -0.530 -8.045 9.317 1.00 0.00 H new ATOM 0 HG12 VAL 1 44 0.540 -9.063 10.310 1.00 0.00 H new ATOM 0 HG13 VAL 1 44 0.380 -7.326 10.667 1.00 0.00 H new ATOM 0 HG21 VAL 1 44 0.430 -6.434 7.704 1.00 0.00 H new ATOM 0 HG22 VAL 1 44 1.357 -5.641 8.999 1.00 0.00 H new ATOM 0 HG23 VAL 1 44 2.194 -6.259 7.555 1.00 0.00 H new ATOM 724 N PRO 1 45 4.152 -9.455 10.911 1.00 0.00 N ATOM 725 CA PRO 1 45 4.585 -10.782 11.296 1.00 0.00 C ATOM 726 C PRO 1 45 3.370 -11.651 11.529 1.00 0.00 C ATOM 727 O PRO 1 45 3.374 -12.856 11.276 1.00 0.00 O ATOM 728 CB PRO 1 45 5.317 -10.500 12.601 1.00 0.00 C ATOM 729 CG PRO 1 45 5.870 -9.150 12.418 1.00 0.00 C ATOM 730 CD PRO 1 45 4.777 -8.412 11.728 1.00 0.00 C ATOM 0 HA PRO 1 45 5.199 -11.302 10.560 1.00 0.00 H new ATOM 0 HB2 PRO 1 45 4.640 -10.541 13.454 1.00 0.00 H new ATOM 0 HB3 PRO 1 45 6.104 -11.232 12.783 1.00 0.00 H new ATOM 0 HG2 PRO 1 45 6.124 -8.689 13.372 1.00 0.00 H new ATOM 0 HG3 PRO 1 45 6.781 -9.168 11.820 1.00 0.00 H new ATOM 0 HD2 PRO 1 45 4.073 -7.976 12.436 1.00 0.00 H new ATOM 0 HD3 PRO 1 45 5.162 -7.595 11.117 1.00 0.00 H new ATOM 738 N THR 1 46 2.320 -10.982 11.989 1.00 0.00 N ATOM 739 CA THR 1 46 1.038 -11.609 12.264 1.00 0.00 C ATOM 740 C THR 1 46 0.108 -10.651 13.012 1.00 0.00 C ATOM 741 O THR 1 46 0.563 -9.788 13.762 1.00 0.00 O ATOM 742 CB THR 1 46 1.240 -12.880 13.094 1.00 0.00 C ATOM 743 OG1 THR 1 46 0.035 -13.620 13.182 1.00 0.00 O ATOM 744 CG2 THR 1 46 1.720 -12.611 14.505 1.00 0.00 C ATOM 0 H THR 1 46 2.337 -9.981 12.183 1.00 0.00 H new ATOM 0 HA THR 1 46 0.578 -11.867 11.310 1.00 0.00 H new ATOM 0 HB THR 1 46 2.012 -13.443 12.570 1.00 0.00 H new ATOM 0 HG1 THR 1 46 -0.559 -13.201 13.839 1.00 0.00 H new ATOM 0 HG21 THR 1 46 1.841 -13.556 15.034 1.00 0.00 H new ATOM 0 HG22 THR 1 46 2.676 -12.089 14.471 1.00 0.00 H new ATOM 0 HG23 THR 1 46 0.988 -11.994 15.027 1.00 0.00 H new ATOM 752 N ASP 1 47 -1.199 -10.844 12.839 1.00 0.00 N ATOM 753 CA ASP 1 47 -2.205 -10.027 13.538 1.00 0.00 C ATOM 754 C ASP 1 47 -2.339 -8.593 13.026 1.00 0.00 C ATOM 755 O ASP 1 47 -2.268 -7.647 13.812 1.00 0.00 O ATOM 756 CB ASP 1 47 -1.872 -9.932 15.007 1.00 0.00 C ATOM 757 CG ASP 1 47 -1.217 -11.182 15.572 1.00 0.00 C ATOM 758 OD1 ASP 1 47 -1.535 -12.289 15.089 1.00 0.00 O ATOM 759 OD2 ASP 1 47 -0.387 -11.051 16.496 1.00 0.00 O ATOM 0 H ASP 1 47 -1.591 -11.556 12.223 1.00 0.00 H new ATOM 0 HA ASP 1 47 -3.147 -10.542 13.349 1.00 0.00 H new ATOM 0 HB2 ASP 1 47 -1.207 -9.083 15.165 1.00 0.00 H new ATOM 0 HB3 ASP 1 47 -2.786 -9.729 15.564 1.00 0.00 H new ATOM 764 N PHE 1 48 -2.619 -8.422 11.750 1.00 0.00 N ATOM 765 CA PHE 1 48 -2.831 -7.113 11.202 1.00 0.00 C ATOM 766 C PHE 1 48 -4.263 -6.745 11.480 1.00 0.00 C ATOM 767 O PHE 1 48 -5.170 -7.380 10.957 1.00 0.00 O ATOM 768 CB PHE 1 48 -2.601 -7.129 9.701 1.00 0.00 C ATOM 769 CG PHE 1 48 -1.852 -5.950 9.125 1.00 0.00 C ATOM 770 CD1 PHE 1 48 -1.368 -4.912 9.915 1.00 0.00 C ATOM 771 CD2 PHE 1 48 -1.625 -5.897 7.764 1.00 0.00 C ATOM 772 CE1 PHE 1 48 -0.676 -3.865 9.341 1.00 0.00 C ATOM 773 CE2 PHE 1 48 -0.935 -4.854 7.196 1.00 0.00 C ATOM 774 CZ PHE 1 48 -0.460 -3.840 7.981 1.00 0.00 C ATOM 0 H PHE 1 48 -2.704 -9.183 11.076 1.00 0.00 H new ATOM 0 HA PHE 1 48 -2.141 -6.396 11.648 1.00 0.00 H new ATOM 0 HB2 PHE 1 48 -2.055 -8.038 9.448 1.00 0.00 H new ATOM 0 HB3 PHE 1 48 -3.571 -7.192 9.207 1.00 0.00 H new ATOM 0 HD1 PHE 1 48 -1.535 -4.926 10.982 1.00 0.00 H new ATOM 0 HD2 PHE 1 48 -1.997 -6.691 7.134 1.00 0.00 H new ATOM 0 HE1 PHE 1 48 -0.303 -3.063 9.960 1.00 0.00 H new ATOM 0 HE2 PHE 1 48 -0.768 -4.835 6.129 1.00 0.00 H new ATOM 0 HZ PHE 1 48 0.084 -3.020 7.535 1.00 0.00 H new ATOM 784 N THR 1 49 -4.472 -5.765 12.319 1.00 0.00 N ATOM 785 CA THR 1 49 -5.824 -5.368 12.668 1.00 0.00 C ATOM 786 C THR 1 49 -6.674 -5.240 11.425 1.00 0.00 C ATOM 787 O THR 1 49 -6.756 -4.181 10.805 1.00 0.00 O ATOM 788 CB THR 1 49 -5.847 -4.047 13.409 1.00 0.00 C ATOM 789 OG1 THR 1 49 -4.603 -3.788 14.030 1.00 0.00 O ATOM 790 CG2 THR 1 49 -6.915 -3.985 14.461 1.00 0.00 C ATOM 0 H THR 1 49 -3.735 -5.226 12.774 1.00 0.00 H new ATOM 0 HA THR 1 49 -6.226 -6.144 13.320 1.00 0.00 H new ATOM 0 HB THR 1 49 -6.060 -3.293 12.651 1.00 0.00 H new ATOM 0 HG1 THR 1 49 -4.609 -2.884 14.409 1.00 0.00 H new ATOM 0 HG21 THR 1 49 -6.881 -3.015 14.957 1.00 0.00 H new ATOM 0 HG22 THR 1 49 -7.892 -4.121 13.997 1.00 0.00 H new ATOM 0 HG23 THR 1 49 -6.749 -4.774 15.195 1.00 0.00 H new ATOM 798 N TRP 1 50 -7.326 -6.332 11.094 1.00 0.00 N ATOM 799 CA TRP 1 50 -8.208 -6.395 9.944 1.00 0.00 C ATOM 800 C TRP 1 50 -9.118 -5.166 9.897 1.00 0.00 C ATOM 801 O TRP 1 50 -9.574 -4.745 8.836 1.00 0.00 O ATOM 802 CB TRP 1 50 -9.093 -7.630 10.081 1.00 0.00 C ATOM 803 CG TRP 1 50 -8.440 -8.953 9.794 1.00 0.00 C ATOM 804 CD1 TRP 1 50 -7.102 -9.224 9.731 1.00 0.00 C ATOM 805 CD2 TRP 1 50 -9.109 -10.197 9.542 1.00 0.00 C ATOM 806 NE1 TRP 1 50 -6.901 -10.553 9.448 1.00 0.00 N ATOM 807 CE2 TRP 1 50 -8.117 -11.172 9.329 1.00 0.00 C ATOM 808 CE3 TRP 1 50 -10.452 -10.577 9.474 1.00 0.00 C ATOM 809 CZ2 TRP 1 50 -8.426 -12.501 9.052 1.00 0.00 C ATOM 810 CZ3 TRP 1 50 -10.758 -11.896 9.200 1.00 0.00 C ATOM 811 CH2 TRP 1 50 -9.749 -12.844 8.992 1.00 0.00 C ATOM 0 H TRP 1 50 -7.261 -7.206 11.615 1.00 0.00 H new ATOM 0 HA TRP 1 50 -7.604 -6.435 9.037 1.00 0.00 H new ATOM 0 HB2 TRP 1 50 -9.488 -7.657 11.097 1.00 0.00 H new ATOM 0 HB3 TRP 1 50 -9.945 -7.516 9.411 1.00 0.00 H new ATOM 0 HD1 TRP 1 50 -6.316 -8.498 9.882 1.00 0.00 H new ATOM 0 HE1 TRP 1 50 -5.993 -11.006 9.343 1.00 0.00 H new ATOM 0 HE3 TRP 1 50 -11.237 -9.852 9.633 1.00 0.00 H new ATOM 0 HZ2 TRP 1 50 -7.650 -13.234 8.890 1.00 0.00 H new ATOM 0 HZ3 TRP 1 50 -11.793 -12.201 9.145 1.00 0.00 H new ATOM 0 HH2 TRP 1 50 -10.021 -13.867 8.780 1.00 0.00 H new ATOM 822 N VAL 1 51 -9.382 -4.621 11.074 1.00 0.00 N ATOM 823 CA VAL 1 51 -10.249 -3.463 11.226 1.00 0.00 C ATOM 824 C VAL 1 51 -9.811 -2.324 10.352 1.00 0.00 C ATOM 825 O VAL 1 51 -10.576 -1.787 9.552 1.00 0.00 O ATOM 826 CB VAL 1 51 -10.302 -2.967 12.692 1.00 0.00 C ATOM 827 CG1 VAL 1 51 -9.016 -2.265 13.112 1.00 0.00 C ATOM 828 CG2 VAL 1 51 -11.488 -2.042 12.898 1.00 0.00 C ATOM 0 H VAL 1 51 -9.000 -4.970 11.953 1.00 0.00 H new ATOM 0 HA VAL 1 51 -11.243 -3.793 10.923 1.00 0.00 H new ATOM 0 HB VAL 1 51 -10.416 -3.849 13.322 1.00 0.00 H new ATOM 0 HG11 VAL 1 51 -9.103 -1.936 14.147 1.00 0.00 H new ATOM 0 HG12 VAL 1 51 -8.178 -2.956 13.020 1.00 0.00 H new ATOM 0 HG13 VAL 1 51 -8.847 -1.401 12.470 1.00 0.00 H new ATOM 0 HG21 VAL 1 51 -11.510 -1.703 13.934 1.00 0.00 H new ATOM 0 HG22 VAL 1 51 -11.397 -1.181 12.236 1.00 0.00 H new ATOM 0 HG23 VAL 1 51 -12.410 -2.577 12.672 1.00 0.00 H new ATOM 838 N ASP 1 52 -8.584 -1.940 10.558 1.00 0.00 N ATOM 839 CA ASP 1 52 -8.024 -0.823 9.837 1.00 0.00 C ATOM 840 C ASP 1 52 -6.523 -0.909 9.670 1.00 0.00 C ATOM 841 O ASP 1 52 -5.939 -0.153 8.897 1.00 0.00 O ATOM 842 CB ASP 1 52 -8.361 0.444 10.590 1.00 0.00 C ATOM 843 CG ASP 1 52 -7.937 1.702 9.854 1.00 0.00 C ATOM 844 OD1 ASP 1 52 -7.638 1.611 8.645 1.00 0.00 O ATOM 845 OD2 ASP 1 52 -7.903 2.778 10.488 1.00 0.00 O ATOM 0 H ASP 1 52 -7.947 -2.383 11.220 1.00 0.00 H new ATOM 0 HA ASP 1 52 -8.454 -0.831 8.836 1.00 0.00 H new ATOM 0 HB2 ASP 1 52 -9.436 0.479 10.769 1.00 0.00 H new ATOM 0 HB3 ASP 1 52 -7.876 0.420 11.566 1.00 0.00 H new ATOM 850 N ASN 1 53 -5.897 -1.808 10.392 1.00 0.00 N ATOM 851 CA ASN 1 53 -4.456 -1.933 10.303 1.00 0.00 C ATOM 852 C ASN 1 53 -4.076 -2.847 9.188 1.00 0.00 C ATOM 853 O ASN 1 53 -2.943 -2.839 8.715 1.00 0.00 O ATOM 854 CB ASN 1 53 -3.843 -2.388 11.624 1.00 0.00 C ATOM 855 CG ASN 1 53 -4.138 -1.453 12.801 1.00 0.00 C ATOM 856 OD1 ASN 1 53 -3.606 -1.645 13.894 1.00 0.00 O ATOM 857 ND2 ASN 1 53 -4.969 -0.427 12.594 1.00 0.00 N ATOM 0 H ASN 1 53 -6.350 -2.455 11.038 1.00 0.00 H new ATOM 0 HA ASN 1 53 -4.051 -0.944 10.088 1.00 0.00 H new ATOM 0 HB2 ASN 1 53 -4.216 -3.384 11.862 1.00 0.00 H new ATOM 0 HB3 ASN 1 53 -2.763 -2.473 11.502 1.00 0.00 H new ATOM 0 HD21 ASN 1 53 -5.177 0.222 13.353 1.00 0.00 H new ATOM 0 HD22 ASN 1 53 -5.395 -0.293 11.677 1.00 0.00 H new ATOM 864 N GLY 1 54 -5.047 -3.558 8.707 1.00 0.00 N ATOM 865 CA GLY 1 54 -4.838 -4.373 7.605 1.00 0.00 C ATOM 866 C GLY 1 54 -4.856 -3.524 6.373 1.00 0.00 C ATOM 867 O GLY 1 54 -5.596 -2.544 6.295 1.00 0.00 O ATOM 0 H GLY 1 54 -5.995 -3.574 9.082 1.00 0.00 H new ATOM 0 HA2 GLY 1 54 -3.883 -4.891 7.693 1.00 0.00 H new ATOM 0 HA3 GLY 1 54 -5.612 -5.138 7.548 1.00 0.00 H new ATOM 871 N ILE 1 55 -4.040 -3.876 5.428 1.00 0.00 N ATOM 872 CA ILE 1 55 -3.962 -3.104 4.201 1.00 0.00 C ATOM 873 C ILE 1 55 -5.046 -3.506 3.220 1.00 0.00 C ATOM 874 O ILE 1 55 -5.069 -4.628 2.753 1.00 0.00 O ATOM 875 CB ILE 1 55 -2.599 -3.266 3.480 1.00 0.00 C ATOM 876 CG1 ILE 1 55 -2.778 -3.343 1.981 1.00 0.00 C ATOM 877 CG2 ILE 1 55 -1.836 -4.449 3.950 1.00 0.00 C ATOM 878 CD1 ILE 1 55 -2.656 -2.003 1.345 1.00 0.00 C ATOM 0 H ILE 1 55 -3.419 -4.684 5.470 1.00 0.00 H new ATOM 0 HA ILE 1 55 -4.089 -2.066 4.508 1.00 0.00 H new ATOM 0 HB ILE 1 55 -2.021 -2.377 3.731 1.00 0.00 H new ATOM 0 HG12 ILE 1 55 -2.032 -4.016 1.559 1.00 0.00 H new ATOM 0 HG13 ILE 1 55 -3.756 -3.767 1.752 1.00 0.00 H new ATOM 0 HG21 ILE 1 55 -0.891 -4.511 3.410 1.00 0.00 H new ATOM 0 HG22 ILE 1 55 -1.638 -4.354 5.018 1.00 0.00 H new ATOM 0 HG23 ILE 1 55 -2.418 -5.353 3.768 1.00 0.00 H new ATOM 0 HD11 ILE 1 55 -2.790 -2.098 0.267 1.00 0.00 H new ATOM 0 HD12 ILE 1 55 -3.419 -1.338 1.749 1.00 0.00 H new ATOM 0 HD13 ILE 1 55 -1.669 -1.590 1.552 1.00 0.00 H new ATOM 890 N ALA 1 56 -5.921 -2.580 2.859 1.00 0.00 N ATOM 891 CA ALA 1 56 -6.925 -2.899 1.879 1.00 0.00 C ATOM 892 C ALA 1 56 -6.247 -3.053 0.544 1.00 0.00 C ATOM 893 O ALA 1 56 -6.082 -2.095 -0.209 1.00 0.00 O ATOM 894 CB ALA 1 56 -8.031 -1.859 1.841 1.00 0.00 C ATOM 0 H ALA 1 56 -5.951 -1.628 3.224 1.00 0.00 H new ATOM 0 HA ALA 1 56 -7.414 -3.835 2.148 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -8.768 -2.139 1.088 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -8.513 -1.804 2.817 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -7.607 -0.886 1.591 1.00 0.00 H new ATOM 900 N ALA 1 57 -5.798 -4.270 0.300 1.00 0.00 N ATOM 901 CA ALA 1 57 -5.062 -4.603 -0.898 1.00 0.00 C ATOM 902 C ALA 1 57 -5.525 -3.841 -2.142 1.00 0.00 C ATOM 903 O ALA 1 57 -4.718 -3.486 -2.996 1.00 0.00 O ATOM 904 CB ALA 1 57 -5.107 -6.095 -1.151 1.00 0.00 C ATOM 0 H ALA 1 57 -5.936 -5.058 0.933 1.00 0.00 H new ATOM 0 HA ALA 1 57 -4.035 -4.289 -0.714 1.00 0.00 H new ATOM 0 HB1 ALA 1 57 -4.548 -6.327 -2.057 1.00 0.00 H new ATOM 0 HB2 ALA 1 57 -4.663 -6.621 -0.306 1.00 0.00 H new ATOM 0 HB3 ALA 1 57 -6.143 -6.412 -1.273 1.00 0.00 H new ATOM 910 N ASP 1 58 -6.817 -3.590 -2.241 1.00 0.00 N ATOM 911 CA ASP 1 58 -7.363 -2.874 -3.391 1.00 0.00 C ATOM 912 C ASP 1 58 -6.642 -1.549 -3.584 1.00 0.00 C ATOM 913 O ASP 1 58 -6.441 -1.087 -4.707 1.00 0.00 O ATOM 914 CB ASP 1 58 -8.849 -2.638 -3.212 1.00 0.00 C ATOM 915 CG ASP 1 58 -9.527 -2.179 -4.488 1.00 0.00 C ATOM 916 OD1 ASP 1 58 -8.910 -2.300 -5.567 1.00 0.00 O ATOM 917 OD2 ASP 1 58 -10.677 -1.696 -4.409 1.00 0.00 O ATOM 0 H ASP 1 58 -7.509 -3.868 -1.545 1.00 0.00 H new ATOM 0 HA ASP 1 58 -7.211 -3.487 -4.280 1.00 0.00 H new ATOM 0 HB2 ASP 1 58 -9.320 -3.558 -2.866 1.00 0.00 H new ATOM 0 HB3 ASP 1 58 -9.003 -1.890 -2.434 1.00 0.00 H new ATOM 922 N ASP 1 59 -6.257 -0.950 -2.470 1.00 0.00 N ATOM 923 CA ASP 1 59 -5.556 0.309 -2.463 1.00 0.00 C ATOM 924 C ASP 1 59 -4.146 0.177 -3.031 1.00 0.00 C ATOM 925 O ASP 1 59 -3.591 1.148 -3.544 1.00 0.00 O ATOM 926 CB ASP 1 59 -5.472 0.808 -1.027 1.00 0.00 C ATOM 927 CG ASP 1 59 -6.772 0.648 -0.265 1.00 0.00 C ATOM 928 OD1 ASP 1 59 -7.785 0.269 -0.886 1.00 0.00 O ATOM 929 OD2 ASP 1 59 -6.777 0.906 0.958 1.00 0.00 O ATOM 0 H ASP 1 59 -6.427 -1.333 -1.540 1.00 0.00 H new ATOM 0 HA ASP 1 59 -6.103 1.011 -3.092 1.00 0.00 H new ATOM 0 HB2 ASP 1 59 -4.683 0.266 -0.506 1.00 0.00 H new ATOM 0 HB3 ASP 1 59 -5.187 1.860 -1.030 1.00 0.00 H new ATOM 934 N VAL 1 60 -3.550 -1.010 -2.920 1.00 0.00 N ATOM 935 CA VAL 1 60 -2.211 -1.206 -3.406 1.00 0.00 C ATOM 936 C VAL 1 60 -2.176 -1.876 -4.760 1.00 0.00 C ATOM 937 O VAL 1 60 -3.205 -2.044 -5.415 1.00 0.00 O ATOM 938 CB VAL 1 60 -1.388 -2.000 -2.418 1.00 0.00 C ATOM 939 CG1 VAL 1 60 -1.346 -1.271 -1.106 1.00 0.00 C ATOM 940 CG2 VAL 1 60 -1.938 -3.392 -2.281 1.00 0.00 C ATOM 0 H VAL 1 60 -3.979 -1.834 -2.500 1.00 0.00 H new ATOM 0 HA VAL 1 60 -1.777 -0.213 -3.520 1.00 0.00 H new ATOM 0 HB VAL 1 60 -0.364 -2.098 -2.779 1.00 0.00 H new ATOM 0 HG11 VAL 1 60 -0.753 -1.842 -0.391 1.00 0.00 H new ATOM 0 HG12 VAL 1 60 -0.895 -0.289 -1.250 1.00 0.00 H new ATOM 0 HG13 VAL 1 60 -2.360 -1.152 -0.723 1.00 0.00 H new ATOM 0 HG21 VAL 1 60 -1.335 -3.953 -1.566 1.00 0.00 H new ATOM 0 HG22 VAL 1 60 -2.968 -3.343 -1.928 1.00 0.00 H new ATOM 0 HG23 VAL 1 60 -1.910 -3.891 -3.250 1.00 0.00 H new ATOM 950 N ILE 1 61 -0.974 -2.207 -5.198 1.00 0.00 N ATOM 951 CA ILE 1 61 -0.778 -2.797 -6.484 1.00 0.00 C ATOM 952 C ILE 1 61 0.325 -3.836 -6.470 1.00 0.00 C ATOM 953 O ILE 1 61 1.499 -3.515 -6.318 1.00 0.00 O ATOM 954 CB ILE 1 61 -0.451 -1.700 -7.464 1.00 0.00 C ATOM 955 CG1 ILE 1 61 0.005 -0.481 -6.722 1.00 0.00 C ATOM 956 CG2 ILE 1 61 -1.697 -1.333 -8.193 1.00 0.00 C ATOM 957 CD1 ILE 1 61 1.141 0.239 -7.367 1.00 0.00 C ATOM 0 H ILE 1 61 -0.116 -2.069 -4.663 1.00 0.00 H new ATOM 0 HA ILE 1 61 -1.692 -3.313 -6.777 1.00 0.00 H new ATOM 0 HB ILE 1 61 0.327 -2.045 -8.145 1.00 0.00 H new ATOM 0 HG12 ILE 1 61 -0.836 0.206 -6.622 1.00 0.00 H new ATOM 0 HG13 ILE 1 61 0.300 -0.772 -5.714 1.00 0.00 H new ATOM 0 HG21 ILE 1 61 -1.480 -0.539 -8.908 1.00 0.00 H new ATOM 0 HG22 ILE 1 61 -2.078 -2.205 -8.724 1.00 0.00 H new ATOM 0 HG23 ILE 1 61 -2.446 -0.986 -7.481 1.00 0.00 H new ATOM 0 HD11 ILE 1 61 1.409 1.108 -6.766 1.00 0.00 H new ATOM 0 HD12 ILE 1 61 1.999 -0.429 -7.442 1.00 0.00 H new ATOM 0 HD13 ILE 1 61 0.846 0.564 -8.365 1.00 0.00 H new ATOM 969 N GLU 1 62 -0.073 -5.080 -6.623 1.00 0.00 N ATOM 970 CA GLU 1 62 0.848 -6.202 -6.609 1.00 0.00 C ATOM 971 C GLU 1 62 1.848 -6.163 -7.752 1.00 0.00 C ATOM 972 O GLU 1 62 1.479 -6.115 -8.926 1.00 0.00 O ATOM 973 CB GLU 1 62 0.064 -7.515 -6.653 1.00 0.00 C ATOM 974 CG GLU 1 62 -1.222 -7.449 -7.465 1.00 0.00 C ATOM 975 CD GLU 1 62 -1.474 -8.713 -8.263 1.00 0.00 C ATOM 976 OE1 GLU 1 62 -1.328 -9.815 -7.693 1.00 0.00 O ATOM 977 OE2 GLU 1 62 -1.822 -8.600 -9.457 1.00 0.00 O ATOM 0 H GLU 1 62 -1.048 -5.346 -6.761 1.00 0.00 H new ATOM 0 HA GLU 1 62 1.420 -6.132 -5.684 1.00 0.00 H new ATOM 0 HB2 GLU 1 62 0.704 -8.293 -7.070 1.00 0.00 H new ATOM 0 HB3 GLU 1 62 -0.179 -7.814 -5.633 1.00 0.00 H new ATOM 0 HG2 GLU 1 62 -2.063 -7.274 -6.793 1.00 0.00 H new ATOM 0 HG3 GLU 1 62 -1.175 -6.598 -8.145 1.00 0.00 H new ATOM 984 N VAL 1 63 3.124 -6.210 -7.388 1.00 0.00 N ATOM 985 CA VAL 1 63 4.191 -6.213 -8.362 1.00 0.00 C ATOM 986 C VAL 1 63 4.860 -7.584 -8.400 1.00 0.00 C ATOM 987 O VAL 1 63 4.763 -8.353 -7.444 1.00 0.00 O ATOM 988 CB VAL 1 63 5.260 -5.159 -8.020 1.00 0.00 C ATOM 989 CG1 VAL 1 63 4.827 -3.772 -8.450 1.00 0.00 C ATOM 990 CG2 VAL 1 63 5.573 -5.180 -6.534 1.00 0.00 C ATOM 0 H VAL 1 63 3.439 -6.247 -6.418 1.00 0.00 H new ATOM 0 HA VAL 1 63 3.752 -5.977 -9.332 1.00 0.00 H new ATOM 0 HB VAL 1 63 6.165 -5.413 -8.572 1.00 0.00 H new ATOM 0 HG11 VAL 1 63 5.604 -3.052 -8.194 1.00 0.00 H new ATOM 0 HG12 VAL 1 63 4.662 -3.760 -9.527 1.00 0.00 H new ATOM 0 HG13 VAL 1 63 3.902 -3.505 -7.939 1.00 0.00 H new ATOM 0 HG21 VAL 1 63 6.330 -4.429 -6.311 1.00 0.00 H new ATOM 0 HG22 VAL 1 63 4.667 -4.961 -5.968 1.00 0.00 H new ATOM 0 HG23 VAL 1 63 5.946 -6.165 -6.255 1.00 0.00 H new ATOM 1000 N THR 1 64 5.561 -7.882 -9.492 1.00 0.00 N ATOM 1001 CA THR 1 64 6.256 -9.161 -9.610 1.00 0.00 C ATOM 1002 C THR 1 64 7.617 -9.054 -8.942 1.00 0.00 C ATOM 1003 O THR 1 64 8.111 -7.948 -8.749 1.00 0.00 O ATOM 1004 CB THR 1 64 6.413 -9.588 -11.073 1.00 0.00 C ATOM 1005 OG1 THR 1 64 7.548 -8.978 -11.659 1.00 0.00 O ATOM 1006 CG2 THR 1 64 5.211 -9.258 -11.932 1.00 0.00 C ATOM 0 H THR 1 64 5.662 -7.264 -10.297 1.00 0.00 H new ATOM 0 HA THR 1 64 5.658 -9.925 -9.113 1.00 0.00 H new ATOM 0 HB THR 1 64 6.524 -10.672 -11.042 1.00 0.00 H new ATOM 0 HG1 THR 1 64 7.629 -9.266 -12.592 1.00 0.00 H new ATOM 0 HG21 THR 1 64 5.393 -9.589 -12.955 1.00 0.00 H new ATOM 0 HG22 THR 1 64 4.331 -9.766 -11.537 1.00 0.00 H new ATOM 0 HG23 THR 1 64 5.042 -8.181 -11.924 1.00 0.00 H new ATOM 1014 N SER 1 65 8.201 -10.203 -8.591 1.00 0.00 N ATOM 1015 CA SER 1 65 9.501 -10.261 -7.909 1.00 0.00 C ATOM 1016 C SER 1 65 10.481 -9.200 -8.408 1.00 0.00 C ATOM 1017 O SER 1 65 11.291 -8.687 -7.636 1.00 0.00 O ATOM 1018 CB SER 1 65 10.119 -11.650 -8.085 1.00 0.00 C ATOM 1019 OG SER 1 65 10.277 -11.968 -9.458 1.00 0.00 O ATOM 0 H SER 1 65 7.789 -11.119 -8.770 1.00 0.00 H new ATOM 0 HA SER 1 65 9.314 -10.059 -6.854 1.00 0.00 H new ATOM 0 HB2 SER 1 65 11.088 -11.686 -7.586 1.00 0.00 H new ATOM 0 HB3 SER 1 65 9.486 -12.397 -7.606 1.00 0.00 H new ATOM 0 HG SER 1 65 10.675 -12.859 -9.544 1.00 0.00 H new ATOM 1173 N GLN 1 76 -3.413 -10.881 -4.655 1.00 0.00 N ATOM 1174 CA GLN 1 76 -3.422 -12.202 -4.049 1.00 0.00 C ATOM 1175 C GLN 1 76 -2.204 -12.366 -3.151 1.00 0.00 C ATOM 1176 O GLN 1 76 -1.081 -12.051 -3.542 1.00 0.00 O ATOM 1177 CB GLN 1 76 -3.401 -13.307 -5.113 1.00 0.00 C ATOM 1178 CG GLN 1 76 -4.530 -13.236 -6.131 1.00 0.00 C ATOM 1179 CD GLN 1 76 -4.031 -13.342 -7.559 1.00 0.00 C ATOM 1180 OE1 GLN 1 76 -3.098 -12.645 -7.957 1.00 0.00 O ATOM 1181 NE2 GLN 1 76 -4.656 -14.216 -8.338 1.00 0.00 N ATOM 0 HA GLN 1 76 -4.339 -12.292 -3.467 1.00 0.00 H new ATOM 0 HB2 GLN 1 76 -2.450 -13.263 -5.643 1.00 0.00 H new ATOM 0 HB3 GLN 1 76 -3.443 -14.274 -4.612 1.00 0.00 H new ATOM 0 HG2 GLN 1 76 -5.241 -14.039 -5.937 1.00 0.00 H new ATOM 0 HG3 GLN 1 76 -5.069 -12.297 -6.006 1.00 0.00 H new ATOM 0 HE21 GLN 1 76 -5.425 -14.773 -7.965 1.00 0.00 H new ATOM 0 HE22 GLN 1 76 -4.367 -14.331 -9.310 1.00 0.00 H new ATOM 1190 N LYS 1 77 -2.437 -12.866 -1.953 1.00 0.00 N ATOM 1191 CA LYS 1 77 -1.363 -13.080 -0.983 1.00 0.00 C ATOM 1192 C LYS 1 77 -0.514 -14.293 -1.299 1.00 0.00 C ATOM 1193 O LYS 1 77 -0.978 -15.261 -1.903 1.00 0.00 O ATOM 1194 CB LYS 1 77 -1.881 -13.202 0.440 1.00 0.00 C ATOM 1195 CG LYS 1 77 -2.419 -14.582 0.801 1.00 0.00 C ATOM 1196 CD LYS 1 77 -3.892 -14.719 0.455 1.00 0.00 C ATOM 1197 CE LYS 1 77 -4.367 -16.158 0.553 1.00 0.00 C ATOM 1198 NZ LYS 1 77 -5.736 -16.249 1.133 1.00 0.00 N ATOM 0 H LYS 1 77 -3.363 -13.135 -1.620 1.00 0.00 H new ATOM 0 HA LYS 1 77 -0.740 -12.189 -1.062 1.00 0.00 H new ATOM 0 HB2 LYS 1 77 -1.076 -12.948 1.129 1.00 0.00 H new ATOM 0 HB3 LYS 1 77 -2.672 -12.467 0.590 1.00 0.00 H new ATOM 0 HG2 LYS 1 77 -1.848 -15.345 0.272 1.00 0.00 H new ATOM 0 HG3 LYS 1 77 -2.277 -14.760 1.867 1.00 0.00 H new ATOM 0 HD2 LYS 1 77 -4.482 -14.096 1.127 1.00 0.00 H new ATOM 0 HD3 LYS 1 77 -4.063 -14.349 -0.556 1.00 0.00 H new ATOM 0 HE2 LYS 1 77 -4.361 -16.611 -0.438 1.00 0.00 H new ATOM 0 HE3 LYS 1 77 -3.672 -16.729 1.169 1.00 0.00 H new ATOM 0 HZ1 LYS 1 77 -6.120 -17.202 0.969 1.00 0.00 H new ATOM 0 HZ2 LYS 1 77 -5.693 -16.064 2.156 1.00 0.00 H new ATOM 0 HZ3 LYS 1 77 -6.353 -15.545 0.680 1.00 0.00 H new ATOM 1212 N GLY 1 78 0.737 -14.226 -0.874 1.00 0.00 N ATOM 1213 CA GLY 1 78 1.651 -15.312 -1.097 1.00 0.00 C ATOM 1214 C GLY 1 78 2.809 -14.885 -1.948 1.00 0.00 C ATOM 1215 O GLY 1 78 3.510 -15.723 -2.516 1.00 0.00 O ATOM 0 H GLY 1 78 1.133 -13.430 -0.375 1.00 0.00 H new ATOM 0 HA2 GLY 1 78 2.018 -15.683 -0.140 1.00 0.00 H new ATOM 0 HA3 GLY 1 78 1.127 -16.137 -1.580 1.00 0.00 H new ATOM 1219 N GLY 1 79 3.016 -13.573 -2.058 1.00 0.00 N ATOM 1220 CA GLY 1 79 4.111 -13.114 -2.879 1.00 0.00 C ATOM 1221 C GLY 1 79 4.674 -11.771 -2.482 1.00 0.00 C ATOM 1222 O GLY 1 79 5.361 -11.645 -1.469 1.00 0.00 O ATOM 0 H GLY 1 79 2.462 -12.845 -1.607 1.00 0.00 H new ATOM 0 HA2 GLY 1 79 4.911 -13.854 -2.842 1.00 0.00 H new ATOM 0 HA3 GLY 1 79 3.774 -13.060 -3.914 1.00 0.00 H new ATOM 1226 N TYR 1 80 4.391 -10.777 -3.307 1.00 0.00 N ATOM 1227 CA TYR 1 80 4.863 -9.427 -3.094 1.00 0.00 C ATOM 1228 C TYR 1 80 3.896 -8.439 -3.714 1.00 0.00 C ATOM 1229 O TYR 1 80 3.133 -8.791 -4.615 1.00 0.00 O ATOM 1230 CB TYR 1 80 6.255 -9.232 -3.717 1.00 0.00 C ATOM 1231 CG TYR 1 80 6.979 -10.514 -4.064 1.00 0.00 C ATOM 1232 CD1 TYR 1 80 6.687 -11.203 -5.235 1.00 0.00 C ATOM 1233 CD2 TYR 1 80 7.960 -11.031 -3.225 1.00 0.00 C ATOM 1234 CE1 TYR 1 80 7.350 -12.372 -5.560 1.00 0.00 C ATOM 1235 CE2 TYR 1 80 8.628 -12.198 -3.544 1.00 0.00 C ATOM 1236 CZ TYR 1 80 8.319 -12.865 -4.712 1.00 0.00 C ATOM 1237 OH TYR 1 80 8.983 -14.026 -5.033 1.00 0.00 O ATOM 0 H TYR 1 80 3.824 -10.889 -4.147 1.00 0.00 H new ATOM 0 HA TYR 1 80 4.929 -9.254 -2.020 1.00 0.00 H new ATOM 0 HB2 TYR 1 80 6.152 -8.633 -4.622 1.00 0.00 H new ATOM 0 HB3 TYR 1 80 6.871 -8.659 -3.024 1.00 0.00 H new ATOM 0 HD1 TYR 1 80 5.930 -10.819 -5.902 1.00 0.00 H new ATOM 0 HD2 TYR 1 80 8.204 -10.512 -2.310 1.00 0.00 H new ATOM 0 HE1 TYR 1 80 7.110 -12.896 -6.473 1.00 0.00 H new ATOM 0 HE2 TYR 1 80 9.388 -12.586 -2.882 1.00 0.00 H new ATOM 0 HH TYR 1 80 9.634 -14.235 -4.331 1.00 0.00 H new ATOM 1247 N PHE 1 81 3.959 -7.197 -3.277 1.00 0.00 N ATOM 1248 CA PHE 1 81 3.112 -6.168 -3.851 1.00 0.00 C ATOM 1249 C PHE 1 81 3.742 -4.824 -3.691 1.00 0.00 C ATOM 1250 O PHE 1 81 4.743 -4.659 -3.021 1.00 0.00 O ATOM 1251 CB PHE 1 81 1.714 -6.120 -3.246 1.00 0.00 C ATOM 1252 CG PHE 1 81 1.698 -6.040 -1.756 1.00 0.00 C ATOM 1253 CD1 PHE 1 81 2.249 -7.057 -1.002 1.00 0.00 C ATOM 1254 CD2 PHE 1 81 1.107 -4.960 -1.109 1.00 0.00 C ATOM 1255 CE1 PHE 1 81 2.207 -7.006 0.378 1.00 0.00 C ATOM 1256 CE2 PHE 1 81 1.069 -4.900 0.259 1.00 0.00 C ATOM 1257 CZ PHE 1 81 1.616 -5.924 1.010 1.00 0.00 C ATOM 0 H PHE 1 81 4.581 -6.877 -2.534 1.00 0.00 H new ATOM 0 HA PHE 1 81 3.009 -6.429 -4.904 1.00 0.00 H new ATOM 0 HB2 PHE 1 81 1.184 -5.258 -3.651 1.00 0.00 H new ATOM 0 HB3 PHE 1 81 1.164 -7.008 -3.558 1.00 0.00 H new ATOM 0 HD1 PHE 1 81 2.716 -7.898 -1.494 1.00 0.00 H new ATOM 0 HD2 PHE 1 81 0.674 -4.160 -1.691 1.00 0.00 H new ATOM 0 HE1 PHE 1 81 2.634 -7.808 0.963 1.00 0.00 H new ATOM 0 HE2 PHE 1 81 0.612 -4.054 0.750 1.00 0.00 H new ATOM 0 HZ PHE 1 81 1.583 -5.880 2.089 1.00 0.00 H new ATOM 1267 N VAL 1 82 3.138 -3.859 -4.295 1.00 0.00 N ATOM 1268 CA VAL 1 82 3.635 -2.523 -4.193 1.00 0.00 C ATOM 1269 C VAL 1 82 2.463 -1.605 -3.989 1.00 0.00 C ATOM 1270 O VAL 1 82 1.525 -1.611 -4.766 1.00 0.00 O ATOM 1271 CB VAL 1 82 4.465 -2.167 -5.453 1.00 0.00 C ATOM 1272 CG1 VAL 1 82 4.019 -0.864 -6.114 1.00 0.00 C ATOM 1273 CG2 VAL 1 82 5.944 -2.103 -5.102 1.00 0.00 C ATOM 0 H VAL 1 82 2.299 -3.966 -4.865 1.00 0.00 H new ATOM 0 HA VAL 1 82 4.308 -2.416 -3.342 1.00 0.00 H new ATOM 0 HB VAL 1 82 4.293 -2.960 -6.181 1.00 0.00 H new ATOM 0 HG11 VAL 1 82 4.638 -0.670 -6.990 1.00 0.00 H new ATOM 0 HG12 VAL 1 82 2.976 -0.949 -6.419 1.00 0.00 H new ATOM 0 HG13 VAL 1 82 4.124 -0.042 -5.406 1.00 0.00 H new ATOM 0 HG21 VAL 1 82 6.519 -1.852 -5.993 1.00 0.00 H new ATOM 0 HG22 VAL 1 82 6.104 -1.340 -4.340 1.00 0.00 H new ATOM 0 HG23 VAL 1 82 6.270 -3.071 -4.720 1.00 0.00 H new ATOM 1283 N ILE 1 83 2.514 -0.829 -2.931 1.00 0.00 N ATOM 1284 CA ILE 1 83 1.432 0.074 -2.621 1.00 0.00 C ATOM 1285 C ILE 1 83 1.431 1.238 -3.566 1.00 0.00 C ATOM 1286 O ILE 1 83 2.325 2.085 -3.524 1.00 0.00 O ATOM 1287 CB ILE 1 83 1.556 0.630 -1.201 1.00 0.00 C ATOM 1288 CG1 ILE 1 83 1.356 -0.450 -0.131 1.00 0.00 C ATOM 1289 CG2 ILE 1 83 0.582 1.781 -0.977 1.00 0.00 C ATOM 1290 CD1 ILE 1 83 1.659 -1.862 -0.577 1.00 0.00 C ATOM 0 H ILE 1 83 3.292 -0.805 -2.272 1.00 0.00 H new ATOM 0 HA ILE 1 83 0.509 -0.498 -2.713 1.00 0.00 H new ATOM 0 HB ILE 1 83 2.575 1.005 -1.101 1.00 0.00 H new ATOM 0 HG12 ILE 1 83 1.988 -0.213 0.724 1.00 0.00 H new ATOM 0 HG13 ILE 1 83 0.323 -0.409 0.215 1.00 0.00 H new ATOM 0 HG21 ILE 1 83 0.691 2.157 0.040 1.00 0.00 H new ATOM 0 HG22 ILE 1 83 0.796 2.582 -1.685 1.00 0.00 H new ATOM 0 HG23 ILE 1 83 -0.439 1.428 -1.126 1.00 0.00 H new ATOM 0 HD11 ILE 1 83 1.487 -2.550 0.251 1.00 0.00 H new ATOM 0 HD12 ILE 1 83 1.009 -2.128 -1.411 1.00 0.00 H new ATOM 0 HD13 ILE 1 83 2.700 -1.928 -0.893 1.00 0.00 H new ATOM 1302 N ASN 1 84 0.421 1.302 -4.403 1.00 0.00 N ATOM 1303 CA ASN 1 84 0.318 2.398 -5.327 1.00 0.00 C ATOM 1304 C ASN 1 84 0.424 3.710 -4.544 1.00 0.00 C ATOM 1305 O ASN 1 84 -0.449 4.027 -3.737 1.00 0.00 O ATOM 1306 CB ASN 1 84 -1.017 2.328 -6.058 1.00 0.00 C ATOM 1307 CG ASN 1 84 -0.887 2.435 -7.562 1.00 0.00 C ATOM 1308 OD1 ASN 1 84 -1.494 1.664 -8.306 1.00 0.00 O ATOM 1309 ND2 ASN 1 84 -0.096 3.392 -8.018 1.00 0.00 N ATOM 0 H ASN 1 84 -0.331 0.615 -4.460 1.00 0.00 H new ATOM 0 HA ASN 1 84 1.120 2.345 -6.063 1.00 0.00 H new ATOM 0 HB2 ASN 1 84 -1.510 1.388 -5.810 1.00 0.00 H new ATOM 0 HB3 ASN 1 84 -1.662 3.130 -5.699 1.00 0.00 H new ATOM 0 HD21 ASN 1 84 0.030 3.514 -9.023 1.00 0.00 H new ATOM 0 HD22 ASN 1 84 0.388 4.008 -7.365 1.00 0.00 H new ATOM 1316 N PRO 1 85 1.492 4.492 -4.774 1.00 0.00 N ATOM 1317 CA PRO 1 85 1.713 5.779 -4.087 1.00 0.00 C ATOM 1318 C PRO 1 85 0.743 6.815 -4.570 1.00 0.00 C ATOM 1319 O PRO 1 85 0.388 7.762 -3.869 1.00 0.00 O ATOM 1320 CB PRO 1 85 3.114 6.156 -4.537 1.00 0.00 C ATOM 1321 CG PRO 1 85 3.165 5.579 -5.897 1.00 0.00 C ATOM 1322 CD PRO 1 85 2.567 4.216 -5.736 1.00 0.00 C ATOM 0 HA PRO 1 85 1.588 5.712 -3.006 1.00 0.00 H new ATOM 0 HB2 PRO 1 85 3.263 7.236 -4.546 1.00 0.00 H new ATOM 0 HB3 PRO 1 85 3.879 5.734 -3.886 1.00 0.00 H new ATOM 0 HG2 PRO 1 85 2.599 6.182 -6.607 1.00 0.00 H new ATOM 0 HG3 PRO 1 85 4.188 5.524 -6.269 1.00 0.00 H new ATOM 0 HD2 PRO 1 85 2.186 3.819 -6.677 1.00 0.00 H new ATOM 0 HD3 PRO 1 85 3.287 3.493 -5.353 1.00 0.00 H new ATOM 1330 N ASN 1 86 0.329 6.619 -5.790 1.00 0.00 N ATOM 1331 CA ASN 1 86 -0.599 7.510 -6.419 1.00 0.00 C ATOM 1332 C ASN 1 86 -1.990 7.283 -5.860 1.00 0.00 C ATOM 1333 O ASN 1 86 -2.798 8.207 -5.768 1.00 0.00 O ATOM 1334 CB ASN 1 86 -0.559 7.331 -7.930 1.00 0.00 C ATOM 1335 CG ASN 1 86 0.374 8.319 -8.601 1.00 0.00 C ATOM 1336 OD1 ASN 1 86 -0.019 9.035 -9.522 1.00 0.00 O ATOM 1337 ND2 ASN 1 86 1.619 8.362 -8.137 1.00 0.00 N ATOM 0 H ASN 1 86 0.626 5.837 -6.374 1.00 0.00 H new ATOM 0 HA ASN 1 86 -0.317 8.541 -6.205 1.00 0.00 H new ATOM 0 HB2 ASN 1 86 -0.240 6.316 -8.165 1.00 0.00 H new ATOM 0 HB3 ASN 1 86 -1.564 7.451 -8.335 1.00 0.00 H new ATOM 0 HD21 ASN 1 86 2.294 9.008 -8.546 1.00 0.00 H new ATOM 0 HD22 ASN 1 86 1.899 7.749 -7.371 1.00 0.00 H new ATOM 1344 N ASN 1 87 -2.229 6.061 -5.415 1.00 0.00 N ATOM 1345 CA ASN 1 87 -3.464 5.715 -4.776 1.00 0.00 C ATOM 1346 C ASN 1 87 -3.363 6.131 -3.339 1.00 0.00 C ATOM 1347 O ASN 1 87 -4.298 5.977 -2.560 1.00 0.00 O ATOM 1348 CB ASN 1 87 -3.607 4.242 -4.789 1.00 0.00 C ATOM 1349 CG ASN 1 87 -4.826 3.749 -5.515 1.00 0.00 C ATOM 1350 OD1 ASN 1 87 -5.736 4.508 -5.848 1.00 0.00 O ATOM 1351 ND2 ASN 1 87 -4.823 2.459 -5.768 1.00 0.00 N ATOM 0 H ASN 1 87 -1.566 5.290 -5.492 1.00 0.00 H new ATOM 0 HA ASN 1 87 -4.302 6.194 -5.283 1.00 0.00 H new ATOM 0 HB2 ASN 1 87 -2.721 3.806 -5.251 1.00 0.00 H new ATOM 0 HB3 ASN 1 87 -3.640 3.882 -3.761 1.00 0.00 H new ATOM 0 HD21 ASN 1 87 -5.605 2.035 -6.267 1.00 0.00 H new ATOM 0 HD22 ASN 1 87 -4.038 1.882 -5.466 1.00 0.00 H new ATOM 1358 N VAL 1 88 -2.182 6.615 -2.995 1.00 0.00 N ATOM 1359 CA VAL 1 88 -1.866 7.027 -1.703 1.00 0.00 C ATOM 1360 C VAL 1 88 -2.026 8.497 -1.536 1.00 0.00 C ATOM 1361 O VAL 1 88 -1.537 9.317 -2.313 1.00 0.00 O ATOM 1362 CB VAL 1 88 -0.448 6.668 -1.376 1.00 0.00 C ATOM 1363 CG1 VAL 1 88 -0.030 7.419 -0.141 1.00 0.00 C ATOM 1364 CG2 VAL 1 88 -0.370 5.188 -1.180 1.00 0.00 C ATOM 0 H VAL 1 88 -1.412 6.722 -3.656 1.00 0.00 H new ATOM 0 HA VAL 1 88 -2.555 6.517 -1.030 1.00 0.00 H new ATOM 0 HB VAL 1 88 0.230 6.945 -2.183 1.00 0.00 H new ATOM 0 HG11 VAL 1 88 1.001 7.166 0.107 1.00 0.00 H new ATOM 0 HG12 VAL 1 88 -0.107 8.491 -0.324 1.00 0.00 H new ATOM 0 HG13 VAL 1 88 -0.681 7.145 0.689 1.00 0.00 H new ATOM 0 HG21 VAL 1 88 0.655 4.906 -0.941 1.00 0.00 H new ATOM 0 HG22 VAL 1 88 -1.027 4.894 -0.362 1.00 0.00 H new ATOM 0 HG23 VAL 1 88 -0.681 4.683 -2.094 1.00 0.00 H new ATOM 1374 N LYS 1 89 -2.694 8.784 -0.483 1.00 0.00 N ATOM 1375 CA LYS 1 89 -2.954 10.127 -0.087 1.00 0.00 C ATOM 1376 C LYS 1 89 -1.748 10.627 0.645 1.00 0.00 C ATOM 1377 O LYS 1 89 -1.242 11.722 0.401 1.00 0.00 O ATOM 1378 CB LYS 1 89 -4.158 10.189 0.834 1.00 0.00 C ATOM 1379 CG LYS 1 89 -5.452 9.640 0.249 1.00 0.00 C ATOM 1380 CD LYS 1 89 -5.285 8.307 -0.450 1.00 0.00 C ATOM 1381 CE LYS 1 89 -4.756 8.455 -1.860 1.00 0.00 C ATOM 1382 NZ LYS 1 89 -5.822 8.303 -2.887 1.00 0.00 N ATOM 0 H LYS 1 89 -3.086 8.082 0.145 1.00 0.00 H new ATOM 0 HA LYS 1 89 -3.163 10.737 -0.966 1.00 0.00 H new ATOM 0 HB2 LYS 1 89 -3.927 9.637 1.745 1.00 0.00 H new ATOM 0 HB3 LYS 1 89 -4.321 11.227 1.123 1.00 0.00 H new ATOM 0 HG2 LYS 1 89 -6.185 9.532 1.048 1.00 0.00 H new ATOM 0 HG3 LYS 1 89 -5.856 10.364 -0.459 1.00 0.00 H new ATOM 0 HD2 LYS 1 89 -4.604 7.681 0.126 1.00 0.00 H new ATOM 0 HD3 LYS 1 89 -6.245 7.792 -0.478 1.00 0.00 H new ATOM 0 HE2 LYS 1 89 -4.288 9.434 -1.968 1.00 0.00 H new ATOM 0 HE3 LYS 1 89 -3.980 7.710 -2.034 1.00 0.00 H new ATOM 0 HZ1 LYS 1 89 -5.684 9.010 -3.637 1.00 0.00 H new ATOM 0 HZ2 LYS 1 89 -5.775 7.349 -3.298 1.00 0.00 H new ATOM 0 HZ3 LYS 1 89 -6.753 8.444 -2.445 1.00 0.00 H new ATOM 1396 N SER 1 90 -1.296 9.781 1.552 1.00 0.00 N ATOM 1397 CA SER 1 90 -0.121 10.093 2.371 1.00 0.00 C ATOM 1398 C SER 1 90 0.116 9.039 3.444 1.00 0.00 C ATOM 1399 O SER 1 90 -0.733 8.194 3.680 1.00 0.00 O ATOM 1400 CB SER 1 90 -0.277 11.469 3.030 1.00 0.00 C ATOM 1401 OG SER 1 90 -0.640 11.351 4.396 1.00 0.00 O ATOM 0 H SER 1 90 -1.718 8.873 1.746 1.00 0.00 H new ATOM 0 HA SER 1 90 0.743 10.102 1.706 1.00 0.00 H new ATOM 0 HB2 SER 1 90 0.659 12.022 2.947 1.00 0.00 H new ATOM 0 HB3 SER 1 90 -1.035 12.044 2.499 1.00 0.00 H new ATOM 0 HG SER 1 90 -0.730 12.244 4.789 1.00 0.00 H new ATOM 1407 N VAL 1 91 1.240 9.151 4.146 1.00 0.00 N ATOM 1408 CA VAL 1 91 1.549 8.274 5.247 1.00 0.00 C ATOM 1409 C VAL 1 91 1.207 9.011 6.544 1.00 0.00 C ATOM 1410 O VAL 1 91 1.424 10.218 6.650 1.00 0.00 O ATOM 1411 CB VAL 1 91 3.027 7.845 5.240 1.00 0.00 C ATOM 1412 CG1 VAL 1 91 3.164 6.468 4.613 1.00 0.00 C ATOM 1413 CG2 VAL 1 91 3.902 8.855 4.509 1.00 0.00 C ATOM 0 H VAL 1 91 1.955 9.855 3.960 1.00 0.00 H new ATOM 0 HA VAL 1 91 0.961 7.361 5.158 1.00 0.00 H new ATOM 0 HB VAL 1 91 3.371 7.804 6.273 1.00 0.00 H new ATOM 0 HG11 VAL 1 91 4.213 6.172 4.612 1.00 0.00 H new ATOM 0 HG12 VAL 1 91 2.584 5.747 5.189 1.00 0.00 H new ATOM 0 HG13 VAL 1 91 2.794 6.496 3.588 1.00 0.00 H new ATOM 0 HG21 VAL 1 91 4.938 8.518 4.525 1.00 0.00 H new ATOM 0 HG22 VAL 1 91 3.566 8.947 3.476 1.00 0.00 H new ATOM 0 HG23 VAL 1 91 3.828 9.824 5.002 1.00 0.00 H new ATOM 1423 N GLY 1 92 0.614 8.307 7.500 1.00 0.00 N ATOM 1424 CA GLY 1 92 0.188 8.918 8.726 1.00 0.00 C ATOM 1425 C GLY 1 92 0.998 8.509 9.929 1.00 0.00 C ATOM 1426 O GLY 1 92 1.941 7.722 9.846 1.00 0.00 O ATOM 0 H GLY 1 92 0.422 7.307 7.437 1.00 0.00 H new ATOM 0 HA2 GLY 1 92 0.240 10.001 8.617 1.00 0.00 H new ATOM 0 HA3 GLY 1 92 -0.858 8.665 8.902 1.00 0.00 H new ATOM 1430 N THR 1 93 0.599 9.078 11.040 1.00 0.00 N ATOM 1431 CA THR 1 93 1.207 8.859 12.331 1.00 0.00 C ATOM 1432 C THR 1 93 1.129 7.412 12.745 1.00 0.00 C ATOM 1433 O THR 1 93 0.114 6.734 12.591 1.00 0.00 O ATOM 1434 CB THR 1 93 0.492 9.747 13.337 1.00 0.00 C ATOM 1435 OG1 THR 1 93 -0.084 10.870 12.690 1.00 0.00 O ATOM 1436 CG2 THR 1 93 1.389 10.266 14.420 1.00 0.00 C ATOM 0 H THR 1 93 -0.185 9.729 11.072 1.00 0.00 H new ATOM 0 HA THR 1 93 2.266 9.111 12.284 1.00 0.00 H new ATOM 0 HB THR 1 93 -0.268 9.111 13.791 1.00 0.00 H new ATOM 0 HG1 THR 1 93 -0.541 11.430 13.352 1.00 0.00 H new ATOM 0 HG21 THR 1 93 0.812 10.892 15.101 1.00 0.00 H new ATOM 0 HG22 THR 1 93 1.817 9.428 14.971 1.00 0.00 H new ATOM 0 HG23 THR 1 93 2.191 10.856 13.977 1.00 0.00 H new ATOM 1444 N PRO 1 94 2.252 6.944 13.265 1.00 0.00 N ATOM 1445 CA PRO 1 94 2.437 5.578 13.727 1.00 0.00 C ATOM 1446 C PRO 1 94 1.885 5.328 15.121 1.00 0.00 C ATOM 1447 O PRO 1 94 1.740 6.247 15.928 1.00 0.00 O ATOM 1448 CB PRO 1 94 3.940 5.470 13.713 1.00 0.00 C ATOM 1449 CG PRO 1 94 4.356 6.803 14.188 1.00 0.00 C ATOM 1450 CD PRO 1 94 3.479 7.740 13.445 1.00 0.00 C ATOM 0 HA PRO 1 94 1.910 4.847 13.114 1.00 0.00 H new ATOM 0 HB2 PRO 1 94 4.297 4.675 14.368 1.00 0.00 H new ATOM 0 HB3 PRO 1 94 4.323 5.256 12.715 1.00 0.00 H new ATOM 0 HG2 PRO 1 94 4.223 6.902 15.265 1.00 0.00 H new ATOM 0 HG3 PRO 1 94 5.409 6.991 13.978 1.00 0.00 H new ATOM 0 HD2 PRO 1 94 3.292 8.655 14.008 1.00 0.00 H new ATOM 0 HD3 PRO 1 94 3.915 8.036 12.491 1.00 0.00 H new ATOM 1458 N MET 1 95 1.601 4.066 15.387 1.00 0.00 N ATOM 1459 CA MET 1 95 1.071 3.629 16.678 1.00 0.00 C ATOM 1460 C MET 1 95 1.540 2.214 16.994 1.00 0.00 C ATOM 1461 O MET 1 95 1.511 1.340 16.127 1.00 0.00 O ATOM 1462 CB MET 1 95 -0.461 3.660 16.686 1.00 0.00 C ATOM 1463 CG MET 1 95 -1.066 5.012 16.338 1.00 0.00 C ATOM 1464 SD MET 1 95 -1.894 5.792 17.736 1.00 0.00 S ATOM 1465 CE MET 1 95 -3.450 6.258 16.981 1.00 0.00 C ATOM 0 H MET 1 95 1.730 3.309 14.716 1.00 0.00 H new ATOM 0 HA MET 1 95 1.444 4.318 17.436 1.00 0.00 H new ATOM 0 HB2 MET 1 95 -0.831 2.918 15.979 1.00 0.00 H new ATOM 0 HB3 MET 1 95 -0.813 3.362 17.674 1.00 0.00 H new ATOM 0 HG2 MET 1 95 -0.280 5.673 15.973 1.00 0.00 H new ATOM 0 HG3 MET 1 95 -1.780 4.886 15.524 1.00 0.00 H new ATOM 0 HE1 MET 1 95 -4.079 6.755 17.720 1.00 0.00 H new ATOM 0 HE2 MET 1 95 -3.262 6.937 16.149 1.00 0.00 H new ATOM 0 HE3 MET 1 95 -3.958 5.366 16.614 1.00 0.00 H new ATOM 1475 N LYS 1 96 1.943 1.976 18.234 1.00 0.00 N ATOM 1476 CA LYS 1 96 2.387 0.646 18.636 1.00 0.00 C ATOM 1477 C LYS 1 96 1.199 -0.207 19.068 1.00 0.00 C ATOM 1478 O LYS 1 96 0.411 0.207 19.919 1.00 0.00 O ATOM 1479 CB LYS 1 96 3.409 0.740 19.772 1.00 0.00 C ATOM 1480 CG LYS 1 96 2.918 1.535 20.973 1.00 0.00 C ATOM 1481 CD LYS 1 96 3.494 1.001 22.277 1.00 0.00 C ATOM 1482 CE LYS 1 96 2.401 0.498 23.210 1.00 0.00 C ATOM 1483 NZ LYS 1 96 2.630 0.926 24.619 1.00 0.00 N ATOM 0 H LYS 1 96 1.972 2.678 18.974 1.00 0.00 H new ATOM 0 HA LYS 1 96 2.863 0.172 17.778 1.00 0.00 H new ATOM 0 HB2 LYS 1 96 3.672 -0.267 20.097 1.00 0.00 H new ATOM 0 HB3 LYS 1 96 4.321 1.200 19.391 1.00 0.00 H new ATOM 0 HG2 LYS 1 96 3.196 2.582 20.854 1.00 0.00 H new ATOM 0 HG3 LYS 1 96 1.829 1.497 21.014 1.00 0.00 H new ATOM 0 HD2 LYS 1 96 4.191 0.191 22.062 1.00 0.00 H new ATOM 0 HD3 LYS 1 96 4.063 1.788 22.773 1.00 0.00 H new ATOM 0 HE2 LYS 1 96 1.435 0.870 22.870 1.00 0.00 H new ATOM 0 HE3 LYS 1 96 2.357 -0.590 23.164 1.00 0.00 H new ATOM 0 HZ1 LYS 1 96 1.864 0.563 25.221 1.00 0.00 H new ATOM 0 HZ2 LYS 1 96 3.540 0.550 24.953 1.00 0.00 H new ATOM 0 HZ3 LYS 1 96 2.646 1.965 24.668 1.00 0.00 H new ATOM 1497 N GLY 1 97 1.063 -1.395 18.479 1.00 0.00 N ATOM 1498 CA GLY 1 97 -0.050 -2.251 18.845 1.00 0.00 C ATOM 1499 C GLY 1 97 -0.005 -3.621 18.201 1.00 0.00 C ATOM 1500 O GLY 1 97 -0.090 -4.634 18.895 1.00 0.00 O ATOM 0 H GLY 1 97 1.691 -1.772 17.769 1.00 0.00 H new ATOM 0 HA2 GLY 1 97 -0.064 -2.369 19.928 1.00 0.00 H new ATOM 0 HA3 GLY 1 97 -0.982 -1.759 18.566 1.00 0.00 H new ATOM 1504 N SER 1 98 0.111 -3.659 16.879 1.00 0.00 N ATOM 1505 CA SER 1 98 0.152 -4.928 16.160 1.00 0.00 C ATOM 1506 C SER 1 98 1.409 -5.720 16.533 1.00 0.00 C ATOM 1507 O SER 1 98 2.314 -5.884 15.720 1.00 0.00 O ATOM 1508 CB SER 1 98 0.113 -4.685 14.647 1.00 0.00 C ATOM 1509 OG SER 1 98 -1.214 -4.741 14.154 1.00 0.00 O ATOM 0 H SER 1 98 0.178 -2.832 16.286 1.00 0.00 H new ATOM 0 HA SER 1 98 -0.723 -5.511 16.446 1.00 0.00 H new ATOM 0 HB2 SER 1 98 0.547 -3.711 14.421 1.00 0.00 H new ATOM 0 HB3 SER 1 98 0.724 -5.432 14.140 1.00 0.00 H new ATOM 0 HG SER 1 98 -1.491 -5.677 14.066 1.00 0.00 H new ATOM 1515 N GLY 1 99 1.455 -6.211 17.769 1.00 0.00 N ATOM 1516 CA GLY 1 99 2.601 -6.980 18.222 1.00 0.00 C ATOM 1517 C GLY 1 99 3.471 -6.229 19.218 1.00 0.00 C ATOM 1518 O GLY 1 99 3.817 -6.765 20.271 1.00 0.00 O ATOM 0 H GLY 1 99 0.719 -6.090 18.465 1.00 0.00 H new ATOM 0 HA2 GLY 1 99 2.251 -7.905 18.680 1.00 0.00 H new ATOM 0 HA3 GLY 1 99 3.206 -7.260 17.360 1.00 0.00 H new ATOM 1522 N GLY 1 100 3.832 -4.992 18.887 1.00 0.00 N ATOM 1523 CA GLY 1 100 4.664 -4.201 19.766 1.00 0.00 C ATOM 1524 C GLY 1 100 5.444 -3.120 19.033 1.00 0.00 C ATOM 1525 O GLY 1 100 5.970 -2.194 19.650 1.00 0.00 O ATOM 0 H GLY 1 100 3.560 -4.525 18.022 1.00 0.00 H new ATOM 0 HA2 GLY 1 100 4.039 -3.736 20.528 1.00 0.00 H new ATOM 0 HA3 GLY 1 100 5.363 -4.858 20.284 1.00 0.00 H new ATOM 1529 N LEU 1 101 5.520 -3.246 17.712 1.00 0.00 N ATOM 1530 CA LEU 1 101 6.224 -2.318 16.872 1.00 0.00 C ATOM 1531 C LEU 1 101 5.450 -1.041 16.671 1.00 0.00 C ATOM 1532 O LEU 1 101 4.632 -0.645 17.494 1.00 0.00 O ATOM 1533 CB LEU 1 101 6.425 -2.941 15.520 1.00 0.00 C ATOM 1534 CG LEU 1 101 6.589 -4.447 15.468 1.00 0.00 C ATOM 1535 CD1 LEU 1 101 5.262 -5.174 15.412 1.00 0.00 C ATOM 1536 CD2 LEU 1 101 7.340 -4.745 14.235 1.00 0.00 C ATOM 0 H LEU 1 101 5.083 -4.012 17.199 1.00 0.00 H new ATOM 0 HA LEU 1 101 7.171 -2.086 17.360 1.00 0.00 H new ATOM 0 HB2 LEU 1 101 5.574 -2.672 14.894 1.00 0.00 H new ATOM 0 HB3 LEU 1 101 7.308 -2.489 15.068 1.00 0.00 H new ATOM 0 HG LEU 1 101 7.100 -4.782 16.371 1.00 0.00 H new ATOM 0 HD11 LEU 1 101 5.437 -6.249 15.376 1.00 0.00 H new ATOM 0 HD12 LEU 1 101 4.676 -4.931 16.299 1.00 0.00 H new ATOM 0 HD13 LEU 1 101 4.716 -4.866 14.521 1.00 0.00 H new ATOM 0 HD21 LEU 1 101 7.486 -5.822 14.149 1.00 0.00 H new ATOM 0 HD22 LEU 1 101 6.780 -4.385 13.372 1.00 0.00 H new ATOM 0 HD23 LEU 1 101 8.310 -4.249 14.271 1.00 0.00 H new ATOM 1548 N SER 1 102 5.738 -0.420 15.545 1.00 0.00 N ATOM 1549 CA SER 1 102 5.106 0.802 15.132 1.00 0.00 C ATOM 1550 C SER 1 102 4.332 0.572 13.847 1.00 0.00 C ATOM 1551 O SER 1 102 4.902 0.203 12.825 1.00 0.00 O ATOM 1552 CB SER 1 102 6.148 1.876 14.956 1.00 0.00 C ATOM 1553 OG SER 1 102 6.300 2.642 16.139 1.00 0.00 O ATOM 0 H SER 1 102 6.433 -0.764 14.883 1.00 0.00 H new ATOM 0 HA SER 1 102 4.402 1.130 15.897 1.00 0.00 H new ATOM 0 HB2 SER 1 102 7.102 1.421 14.689 1.00 0.00 H new ATOM 0 HB3 SER 1 102 5.865 2.529 14.131 1.00 0.00 H new ATOM 0 HG SER 1 102 6.983 3.330 15.998 1.00 0.00 H new ATOM 1559 N TRP 1 103 3.040 0.774 13.926 1.00 0.00 N ATOM 1560 CA TRP 1 103 2.137 0.589 12.822 1.00 0.00 C ATOM 1561 C TRP 1 103 1.460 1.920 12.558 1.00 0.00 C ATOM 1562 O TRP 1 103 0.806 2.486 13.430 1.00 0.00 O ATOM 1563 CB TRP 1 103 1.161 -0.501 13.192 1.00 0.00 C ATOM 1564 CG TRP 1 103 1.901 -1.763 13.532 1.00 0.00 C ATOM 1565 CD1 TRP 1 103 2.895 -1.861 14.450 1.00 0.00 C ATOM 1566 CD2 TRP 1 103 1.771 -3.080 12.954 1.00 0.00 C ATOM 1567 NE1 TRP 1 103 3.416 -3.110 14.453 1.00 0.00 N ATOM 1568 CE2 TRP 1 103 2.741 -3.891 13.566 1.00 0.00 C ATOM 1569 CE3 TRP 1 103 0.945 -3.661 11.993 1.00 0.00 C ATOM 1570 CZ2 TRP 1 103 2.912 -5.235 13.240 1.00 0.00 C ATOM 1571 CZ3 TRP 1 103 1.114 -4.996 11.679 1.00 0.00 C ATOM 1572 CH2 TRP 1 103 2.093 -5.766 12.299 1.00 0.00 C ATOM 0 H TRP 1 103 2.578 1.079 14.782 1.00 0.00 H new ATOM 0 HA TRP 1 103 2.644 0.279 11.908 1.00 0.00 H new ATOM 0 HB2 TRP 1 103 0.556 -0.185 14.042 1.00 0.00 H new ATOM 0 HB3 TRP 1 103 0.477 -0.684 12.364 1.00 0.00 H new ATOM 0 HD1 TRP 1 103 3.224 -1.055 15.089 1.00 0.00 H new ATOM 0 HE1 TRP 1 103 4.196 -3.419 15.032 1.00 0.00 H new ATOM 0 HE3 TRP 1 103 0.183 -3.075 11.500 1.00 0.00 H new ATOM 0 HZ2 TRP 1 103 3.672 -5.834 13.721 1.00 0.00 H new ATOM 0 HZ3 TRP 1 103 0.474 -5.451 10.938 1.00 0.00 H new ATOM 0 HH2 TRP 1 103 2.202 -6.805 12.026 1.00 0.00 H new ATOM 1583 N ALA 1 104 1.701 2.443 11.382 1.00 0.00 N ATOM 1584 CA ALA 1 104 1.206 3.761 11.010 1.00 0.00 C ATOM 1585 C ALA 1 104 0.022 3.771 10.087 1.00 0.00 C ATOM 1586 O ALA 1 104 -0.155 2.901 9.237 1.00 0.00 O ATOM 1587 CB ALA 1 104 2.323 4.608 10.422 1.00 0.00 C ATOM 0 H ALA 1 104 2.242 1.977 10.654 1.00 0.00 H new ATOM 0 HA ALA 1 104 0.847 4.189 11.946 1.00 0.00 H new ATOM 0 HB1 ALA 1 104 1.932 5.589 10.151 1.00 0.00 H new ATOM 0 HB2 ALA 1 104 3.117 4.725 11.159 1.00 0.00 H new ATOM 0 HB3 ALA 1 104 2.722 4.118 9.534 1.00 0.00 H new ATOM 1593 N GLN 1 105 -0.775 4.807 10.293 1.00 0.00 N ATOM 1594 CA GLN 1 105 -1.962 5.043 9.537 1.00 0.00 C ATOM 1595 C GLN 1 105 -1.653 5.724 8.224 1.00 0.00 C ATOM 1596 O GLN 1 105 -1.451 6.926 8.202 1.00 0.00 O ATOM 1597 CB GLN 1 105 -2.878 5.952 10.328 1.00 0.00 C ATOM 1598 CG GLN 1 105 -4.309 5.757 9.956 1.00 0.00 C ATOM 1599 CD GLN 1 105 -5.274 6.429 10.911 1.00 0.00 C ATOM 1600 OE1 GLN 1 105 -4.864 7.170 11.805 1.00 0.00 O ATOM 1601 NE2 GLN 1 105 -6.565 6.174 10.732 1.00 0.00 N ATOM 0 H GLN 1 105 -0.598 5.513 11.008 1.00 0.00 H new ATOM 0 HA GLN 1 105 -2.431 4.079 9.337 1.00 0.00 H new ATOM 0 HB2 GLN 1 105 -2.750 5.759 11.393 1.00 0.00 H new ATOM 0 HB3 GLN 1 105 -2.596 6.991 10.156 1.00 0.00 H new ATOM 0 HG2 GLN 1 105 -4.472 6.147 8.951 1.00 0.00 H new ATOM 0 HG3 GLN 1 105 -4.526 4.689 9.923 1.00 0.00 H new ATOM 0 HE21 GLN 1 105 -6.863 5.554 9.979 1.00 0.00 H new ATOM 0 HE22 GLN 1 105 -7.259 6.598 11.348 1.00 0.00 H new ATOM 1610 N VAL 1 106 -1.651 4.991 7.127 1.00 0.00 N ATOM 1611 CA VAL 1 106 -1.390 5.592 5.856 1.00 0.00 C ATOM 1612 C VAL 1 106 -2.711 5.797 5.136 1.00 0.00 C ATOM 1613 O VAL 1 106 -3.604 4.952 5.198 1.00 0.00 O ATOM 1614 CB VAL 1 106 -0.392 4.737 5.063 1.00 0.00 C ATOM 1615 CG1 VAL 1 106 -0.329 5.165 3.620 1.00 0.00 C ATOM 1616 CG2 VAL 1 106 0.984 4.836 5.702 1.00 0.00 C ATOM 0 H VAL 1 106 -1.827 3.987 7.101 1.00 0.00 H new ATOM 0 HA VAL 1 106 -0.923 6.570 5.974 1.00 0.00 H new ATOM 0 HB VAL 1 106 -0.731 3.701 5.087 1.00 0.00 H new ATOM 0 HG11 VAL 1 106 0.387 4.540 3.086 1.00 0.00 H new ATOM 0 HG12 VAL 1 106 -1.314 5.058 3.166 1.00 0.00 H new ATOM 0 HG13 VAL 1 106 -0.014 6.207 3.563 1.00 0.00 H new ATOM 0 HG21 VAL 1 106 1.692 4.228 5.138 1.00 0.00 H new ATOM 0 HG22 VAL 1 106 1.313 5.875 5.697 1.00 0.00 H new ATOM 0 HG23 VAL 1 106 0.935 4.476 6.730 1.00 0.00 H new ATOM 1626 N ASN 1 107 -2.850 6.943 4.507 1.00 0.00 N ATOM 1627 CA ASN 1 107 -4.074 7.302 3.835 1.00 0.00 C ATOM 1628 C ASN 1 107 -4.064 6.845 2.394 1.00 0.00 C ATOM 1629 O ASN 1 107 -3.452 7.480 1.542 1.00 0.00 O ATOM 1630 CB ASN 1 107 -4.257 8.817 3.887 1.00 0.00 C ATOM 1631 CG ASN 1 107 -5.237 9.246 4.959 1.00 0.00 C ATOM 1632 OD1 ASN 1 107 -4.908 10.046 5.834 1.00 0.00 O ATOM 1633 ND2 ASN 1 107 -6.449 8.711 4.893 1.00 0.00 N ATOM 0 H ASN 1 107 -2.117 7.650 4.448 1.00 0.00 H new ATOM 0 HA ASN 1 107 -4.901 6.807 4.344 1.00 0.00 H new ATOM 0 HB2 ASN 1 107 -3.292 9.290 4.071 1.00 0.00 H new ATOM 0 HB3 ASN 1 107 -4.606 9.171 2.917 1.00 0.00 H new ATOM 0 HD21 ASN 1 107 -7.154 8.959 5.587 1.00 0.00 H new ATOM 0 HD22 ASN 1 107 -6.676 8.052 4.148 1.00 0.00 H new ATOM 1640 N PHE 1 108 -4.753 5.748 2.128 1.00 0.00 N ATOM 1641 CA PHE 1 108 -4.848 5.223 0.821 1.00 0.00 C ATOM 1642 C PHE 1 108 -6.159 5.609 0.151 1.00 0.00 C ATOM 1643 O PHE 1 108 -7.103 6.113 0.762 1.00 0.00 O ATOM 1644 CB PHE 1 108 -4.805 3.703 0.805 1.00 0.00 C ATOM 1645 CG PHE 1 108 -3.536 3.035 1.253 1.00 0.00 C ATOM 1646 CD1 PHE 1 108 -2.978 3.313 2.484 1.00 0.00 C ATOM 1647 CD2 PHE 1 108 -2.927 2.077 0.452 1.00 0.00 C ATOM 1648 CE1 PHE 1 108 -1.833 2.660 2.905 1.00 0.00 C ATOM 1649 CE2 PHE 1 108 -1.790 1.418 0.874 1.00 0.00 C ATOM 1650 CZ PHE 1 108 -1.242 1.711 2.102 1.00 0.00 C ATOM 0 H PHE 1 108 -5.257 5.210 2.833 1.00 0.00 H new ATOM 0 HA PHE 1 108 -3.993 5.641 0.290 1.00 0.00 H new ATOM 0 HB2 PHE 1 108 -5.616 3.338 1.435 1.00 0.00 H new ATOM 0 HB3 PHE 1 108 -5.017 3.372 -0.212 1.00 0.00 H new ATOM 0 HD1 PHE 1 108 -3.440 4.048 3.126 1.00 0.00 H new ATOM 0 HD2 PHE 1 108 -3.349 1.845 -0.515 1.00 0.00 H new ATOM 0 HE1 PHE 1 108 -1.402 2.896 3.867 1.00 0.00 H new ATOM 0 HE2 PHE 1 108 -1.331 0.673 0.241 1.00 0.00 H new ATOM 0 HZ PHE 1 108 -0.352 1.198 2.434 1.00 0.00 H new ATOM 1660 N THR 1 109 -6.156 5.336 -1.127 1.00 0.00 N ATOM 1661 CA THR 1 109 -7.257 5.596 -2.054 1.00 0.00 C ATOM 1662 C THR 1 109 -8.638 5.056 -1.652 1.00 0.00 C ATOM 1663 O THR 1 109 -9.583 5.820 -1.452 1.00 0.00 O ATOM 1664 CB THR 1 109 -6.868 4.957 -3.366 1.00 0.00 C ATOM 1665 OG1 THR 1 109 -7.929 4.991 -4.303 1.00 0.00 O ATOM 1666 CG2 THR 1 109 -6.462 3.532 -3.153 1.00 0.00 C ATOM 0 H THR 1 109 -5.353 4.905 -1.585 1.00 0.00 H new ATOM 0 HA THR 1 109 -7.384 6.678 -2.084 1.00 0.00 H new ATOM 0 HB THR 1 109 -6.031 5.531 -3.763 1.00 0.00 H new ATOM 0 HG1 THR 1 109 -7.575 4.837 -5.204 1.00 0.00 H new ATOM 0 HG21 THR 1 109 -6.185 3.086 -4.108 1.00 0.00 H new ATOM 0 HG22 THR 1 109 -5.610 3.494 -2.474 1.00 0.00 H new ATOM 0 HG23 THR 1 109 -7.295 2.977 -2.722 1.00 0.00 H new ATOM 1674 N THR 1 110 -8.749 3.739 -1.603 1.00 0.00 N ATOM 1675 CA THR 1 110 -10.005 3.060 -1.303 1.00 0.00 C ATOM 1676 C THR 1 110 -10.245 2.887 0.185 1.00 0.00 C ATOM 1677 O THR 1 110 -11.276 3.301 0.715 1.00 0.00 O ATOM 1678 CB THR 1 110 -10.017 1.698 -1.990 1.00 0.00 C ATOM 1679 OG1 THR 1 110 -8.992 1.614 -2.965 1.00 0.00 O ATOM 1680 CG2 THR 1 110 -11.329 1.381 -2.674 1.00 0.00 C ATOM 0 H THR 1 110 -7.968 3.105 -1.771 1.00 0.00 H new ATOM 0 HA THR 1 110 -10.812 3.689 -1.680 1.00 0.00 H new ATOM 0 HB THR 1 110 -9.859 0.974 -1.190 1.00 0.00 H new ATOM 0 HG1 THR 1 110 -8.232 1.115 -2.599 1.00 0.00 H new ATOM 0 HG21 THR 1 110 -11.267 0.398 -3.142 1.00 0.00 H new ATOM 0 HG22 THR 1 110 -12.133 1.383 -1.938 1.00 0.00 H new ATOM 0 HG23 THR 1 110 -11.533 2.133 -3.436 1.00 0.00 H new ATOM 1688 N GLY 1 111 -9.294 2.255 0.846 1.00 0.00 N ATOM 1689 CA GLY 1 111 -9.414 2.011 2.254 1.00 0.00 C ATOM 1690 C GLY 1 111 -9.258 3.262 3.083 1.00 0.00 C ATOM 1691 O GLY 1 111 -9.446 3.222 4.299 1.00 0.00 O ATOM 0 H GLY 1 111 -8.434 1.905 0.423 1.00 0.00 H new ATOM 0 HA2 GLY 1 111 -10.387 1.565 2.458 1.00 0.00 H new ATOM 0 HA3 GLY 1 111 -8.660 1.284 2.557 1.00 0.00 H new ATOM 1695 N GLY 1 112 -8.886 4.376 2.446 1.00 0.00 N ATOM 1696 CA GLY 1 112 -8.690 5.587 3.187 1.00 0.00 C ATOM 1697 C GLY 1 112 -7.616 5.370 4.212 1.00 0.00 C ATOM 1698 O GLY 1 112 -6.447 5.515 3.927 1.00 0.00 O ATOM 0 H GLY 1 112 -8.722 4.448 1.442 1.00 0.00 H new ATOM 0 HA2 GLY 1 112 -8.409 6.397 2.514 1.00 0.00 H new ATOM 0 HA3 GLY 1 112 -9.619 5.884 3.674 1.00 0.00 H new ATOM 1702 N ASN 1 113 -7.994 4.955 5.391 1.00 0.00 N ATOM 1703 CA ASN 1 113 -7.017 4.653 6.398 1.00 0.00 C ATOM 1704 C ASN 1 113 -6.527 3.223 6.201 1.00 0.00 C ATOM 1705 O ASN 1 113 -7.322 2.294 6.069 1.00 0.00 O ATOM 1706 CB ASN 1 113 -7.608 4.847 7.791 1.00 0.00 C ATOM 1707 CG ASN 1 113 -9.044 4.377 7.888 1.00 0.00 C ATOM 1708 OD1 ASN 1 113 -9.921 5.101 8.360 1.00 0.00 O ATOM 1709 ND2 ASN 1 113 -9.285 3.154 7.438 1.00 0.00 N ATOM 0 H ASN 1 113 -8.964 4.819 5.675 1.00 0.00 H new ATOM 0 HA ASN 1 113 -6.171 5.334 6.305 1.00 0.00 H new ATOM 0 HB2 ASN 1 113 -7.003 4.304 8.517 1.00 0.00 H new ATOM 0 HB3 ASN 1 113 -7.557 5.902 8.059 1.00 0.00 H new ATOM 0 HD21 ASN 1 113 -10.231 2.775 7.474 1.00 0.00 H new ATOM 0 HD22 ASN 1 113 -8.524 2.592 7.056 1.00 0.00 H new ATOM 1716 N VAL 1 114 -5.223 3.053 6.187 1.00 0.00 N ATOM 1717 CA VAL 1 114 -4.615 1.748 6.022 1.00 0.00 C ATOM 1718 C VAL 1 114 -3.364 1.725 6.846 1.00 0.00 C ATOM 1719 O VAL 1 114 -2.447 2.504 6.601 1.00 0.00 O ATOM 1720 CB VAL 1 114 -4.257 1.450 4.564 1.00 0.00 C ATOM 1721 CG1 VAL 1 114 -3.962 -0.023 4.374 1.00 0.00 C ATOM 1722 CG2 VAL 1 114 -5.360 1.909 3.624 1.00 0.00 C ATOM 0 H VAL 1 114 -4.553 3.815 6.290 1.00 0.00 H new ATOM 0 HA VAL 1 114 -5.329 0.988 6.340 1.00 0.00 H new ATOM 0 HB VAL 1 114 -3.356 2.011 4.318 1.00 0.00 H new ATOM 0 HG11 VAL 1 114 -3.710 -0.212 3.330 1.00 0.00 H new ATOM 0 HG12 VAL 1 114 -3.123 -0.311 5.008 1.00 0.00 H new ATOM 0 HG13 VAL 1 114 -4.840 -0.608 4.647 1.00 0.00 H new ATOM 0 HG21 VAL 1 114 -5.078 1.684 2.595 1.00 0.00 H new ATOM 0 HG22 VAL 1 114 -6.286 1.389 3.868 1.00 0.00 H new ATOM 0 HG23 VAL 1 114 -5.508 2.983 3.733 1.00 0.00 H new ATOM 1732 N TRP 1 115 -3.324 0.875 7.836 1.00 0.00 N ATOM 1733 CA TRP 1 115 -2.168 0.836 8.696 1.00 0.00 C ATOM 1734 C TRP 1 115 -1.138 -0.155 8.240 1.00 0.00 C ATOM 1735 O TRP 1 115 -1.437 -1.136 7.559 1.00 0.00 O ATOM 1736 CB TRP 1 115 -2.572 0.565 10.121 1.00 0.00 C ATOM 1737 CG TRP 1 115 -3.384 1.642 10.662 1.00 0.00 C ATOM 1738 CD1 TRP 1 115 -4.657 1.938 10.323 1.00 0.00 C ATOM 1739 CD2 TRP 1 115 -2.971 2.601 11.609 1.00 0.00 C ATOM 1740 NE1 TRP 1 115 -5.080 2.994 11.046 1.00 0.00 N ATOM 1741 CE2 TRP 1 115 -4.058 3.430 11.835 1.00 0.00 C ATOM 1742 CE3 TRP 1 115 -1.787 2.825 12.299 1.00 0.00 C ATOM 1743 CZ2 TRP 1 115 -4.016 4.476 12.712 1.00 0.00 C ATOM 1744 CZ3 TRP 1 115 -1.736 3.881 13.186 1.00 0.00 C ATOM 1745 CH2 TRP 1 115 -2.853 4.701 13.386 1.00 0.00 C ATOM 0 H TRP 1 115 -4.063 0.211 8.066 1.00 0.00 H new ATOM 0 HA TRP 1 115 -1.703 1.821 8.641 1.00 0.00 H new ATOM 0 HB2 TRP 1 115 -3.129 -0.371 10.170 1.00 0.00 H new ATOM 0 HB3 TRP 1 115 -1.680 0.438 10.735 1.00 0.00 H new ATOM 0 HD1 TRP 1 115 -5.245 1.410 9.587 1.00 0.00 H new ATOM 0 HE1 TRP 1 115 -6.014 3.401 11.009 1.00 0.00 H new ATOM 0 HE3 TRP 1 115 -0.928 2.189 12.145 1.00 0.00 H new ATOM 0 HZ2 TRP 1 115 -4.879 5.106 12.867 1.00 0.00 H new ATOM 0 HZ3 TRP 1 115 -0.825 4.077 13.732 1.00 0.00 H new ATOM 0 HH2 TRP 1 115 -2.792 5.523 14.084 1.00 0.00 H new ATOM 1756 N LEU 1 116 0.084 0.128 8.622 1.00 0.00 N ATOM 1757 CA LEU 1 116 1.197 -0.702 8.270 1.00 0.00 C ATOM 1758 C LEU 1 116 2.267 -0.545 9.300 1.00 0.00 C ATOM 1759 O LEU 1 116 2.491 0.561 9.778 1.00 0.00 O ATOM 1760 CB LEU 1 116 1.750 -0.274 6.920 1.00 0.00 C ATOM 1761 CG LEU 1 116 2.080 -1.419 5.967 1.00 0.00 C ATOM 1762 CD1 LEU 1 116 0.874 -1.749 5.104 1.00 0.00 C ATOM 1763 CD2 LEU 1 116 3.275 -1.058 5.104 1.00 0.00 C ATOM 0 H LEU 1 116 0.329 0.942 9.186 1.00 0.00 H new ATOM 0 HA LEU 1 116 0.871 -1.741 8.219 1.00 0.00 H new ATOM 0 HB2 LEU 1 116 1.025 0.382 6.439 1.00 0.00 H new ATOM 0 HB3 LEU 1 116 2.653 0.314 7.084 1.00 0.00 H new ATOM 0 HG LEU 1 116 2.335 -2.302 6.553 1.00 0.00 H new ATOM 0 HD11 LEU 1 116 1.123 -2.568 4.429 1.00 0.00 H new ATOM 0 HD12 LEU 1 116 0.041 -2.045 5.741 1.00 0.00 H new ATOM 0 HD13 LEU 1 116 0.592 -0.872 4.522 1.00 0.00 H new ATOM 0 HD21 LEU 1 116 3.499 -1.884 4.429 1.00 0.00 H new ATOM 0 HD22 LEU 1 116 3.047 -0.165 4.522 1.00 0.00 H new ATOM 0 HD23 LEU 1 116 4.139 -0.865 5.741 1.00 0.00 H new ATOM 1775 N ASN 1 117 2.968 -1.609 9.619 1.00 0.00 N ATOM 1776 CA ASN 1 117 4.021 -1.452 10.581 1.00 0.00 C ATOM 1777 C ASN 1 117 5.038 -0.558 9.973 1.00 0.00 C ATOM 1778 O ASN 1 117 5.817 -0.885 9.079 1.00 0.00 O ATOM 1779 CB ASN 1 117 4.568 -2.735 11.090 1.00 0.00 C ATOM 1780 CG ASN 1 117 6.056 -2.734 11.384 1.00 0.00 C ATOM 1781 OD1 ASN 1 117 6.881 -2.919 10.492 1.00 0.00 O ATOM 1782 ND2 ASN 1 117 6.394 -2.548 12.656 1.00 0.00 N ATOM 0 H ASN 1 117 2.835 -2.548 9.245 1.00 0.00 H new ATOM 0 HA ASN 1 117 3.627 -0.995 11.489 1.00 0.00 H new ATOM 0 HB2 ASN 1 117 4.034 -3.002 12.002 1.00 0.00 H new ATOM 0 HB3 ASN 1 117 4.359 -3.516 10.358 1.00 0.00 H new ATOM 0 HD21 ASN 1 117 7.377 -2.555 12.929 1.00 0.00 H new ATOM 0 HD22 ASN 1 117 5.671 -2.398 13.359 1.00 0.00 H new ATOM 1789 N THR 1 118 4.867 0.615 10.454 1.00 0.00 N ATOM 1790 CA THR 1 118 5.574 1.796 10.044 1.00 0.00 C ATOM 1791 C THR 1 118 6.981 1.862 10.572 1.00 0.00 C ATOM 1792 O THR 1 118 7.614 2.918 10.535 1.00 0.00 O ATOM 1793 CB THR 1 118 4.764 2.975 10.514 1.00 0.00 C ATOM 1794 OG1 THR 1 118 5.092 4.156 9.799 1.00 0.00 O ATOM 1795 CG2 THR 1 118 4.922 3.237 11.992 1.00 0.00 C ATOM 0 H THR 1 118 4.189 0.802 11.193 1.00 0.00 H new ATOM 0 HA THR 1 118 5.682 1.791 8.959 1.00 0.00 H new ATOM 0 HB THR 1 118 3.725 2.710 10.320 1.00 0.00 H new ATOM 0 HG1 THR 1 118 6.066 4.244 9.743 1.00 0.00 H new ATOM 0 HG21 THR 1 118 4.316 4.098 12.276 1.00 0.00 H new ATOM 0 HG22 THR 1 118 4.595 2.362 12.554 1.00 0.00 H new ATOM 0 HG23 THR 1 118 5.969 3.441 12.215 1.00 0.00 H new ATOM 1803 N THR 1 119 7.479 0.746 11.055 1.00 0.00 N ATOM 1804 CA THR 1 119 8.846 0.719 11.559 1.00 0.00 C ATOM 1805 C THR 1 119 9.859 0.988 10.422 1.00 0.00 C ATOM 1806 O THR 1 119 11.024 0.607 10.523 1.00 0.00 O ATOM 1807 CB THR 1 119 9.149 -0.629 12.216 1.00 0.00 C ATOM 1808 OG1 THR 1 119 10.378 -0.575 12.920 1.00 0.00 O ATOM 1809 CG2 THR 1 119 9.240 -1.770 11.226 1.00 0.00 C ATOM 0 H THR 1 119 6.977 -0.140 11.112 1.00 0.00 H new ATOM 0 HA THR 1 119 8.943 1.508 12.305 1.00 0.00 H new ATOM 0 HB THR 1 119 8.313 -0.819 12.889 1.00 0.00 H new ATOM 0 HG1 THR 1 119 11.059 -0.150 12.358 1.00 0.00 H new ATOM 0 HG21 THR 1 119 9.457 -2.697 11.758 1.00 0.00 H new ATOM 0 HG22 THR 1 119 8.292 -1.869 10.696 1.00 0.00 H new ATOM 0 HG23 THR 1 119 10.036 -1.568 10.510 1.00 0.00 H new ATOM 1817 N SER 1 120 9.410 1.669 9.347 1.00 0.00 N ATOM 1818 CA SER 1 120 10.235 2.015 8.223 1.00 0.00 C ATOM 1819 C SER 1 120 9.394 2.873 7.289 1.00 0.00 C ATOM 1820 O SER 1 120 8.300 2.493 6.903 1.00 0.00 O ATOM 1821 CB SER 1 120 10.732 0.769 7.496 1.00 0.00 C ATOM 1822 OG SER 1 120 12.051 0.436 7.891 1.00 0.00 O ATOM 0 H SER 1 120 8.446 1.988 9.256 1.00 0.00 H new ATOM 0 HA SER 1 120 11.117 2.558 8.562 1.00 0.00 H new ATOM 0 HB2 SER 1 120 10.065 -0.067 7.705 1.00 0.00 H new ATOM 0 HB3 SER 1 120 10.704 0.938 6.419 1.00 0.00 H new ATOM 0 HG SER 1 120 12.096 0.381 8.868 1.00 0.00 H new ATOM 1828 N LYS 1 121 9.889 4.036 6.945 1.00 0.00 N ATOM 1829 CA LYS 1 121 9.163 4.934 6.069 1.00 0.00 C ATOM 1830 C LYS 1 121 9.239 4.392 4.655 1.00 0.00 C ATOM 1831 O LYS 1 121 8.244 4.325 3.924 1.00 0.00 O ATOM 1832 CB LYS 1 121 9.749 6.321 6.194 1.00 0.00 C ATOM 1833 CG LYS 1 121 9.006 7.380 5.397 1.00 0.00 C ATOM 1834 CD LYS 1 121 9.514 8.778 5.717 1.00 0.00 C ATOM 1835 CE LYS 1 121 9.962 9.515 4.463 1.00 0.00 C ATOM 1836 NZ LYS 1 121 11.367 9.997 4.571 1.00 0.00 N ATOM 0 H LYS 1 121 10.794 4.388 7.257 1.00 0.00 H new ATOM 0 HA LYS 1 121 8.110 5.000 6.344 1.00 0.00 H new ATOM 0 HB2 LYS 1 121 9.754 6.609 7.245 1.00 0.00 H new ATOM 0 HB3 LYS 1 121 10.788 6.296 5.866 1.00 0.00 H new ATOM 0 HG2 LYS 1 121 9.124 7.184 4.331 1.00 0.00 H new ATOM 0 HG3 LYS 1 121 7.940 7.320 5.616 1.00 0.00 H new ATOM 0 HD2 LYS 1 121 8.727 9.347 6.212 1.00 0.00 H new ATOM 0 HD3 LYS 1 121 10.347 8.711 6.417 1.00 0.00 H new ATOM 0 HE2 LYS 1 121 9.871 8.853 3.602 1.00 0.00 H new ATOM 0 HE3 LYS 1 121 9.301 10.363 4.285 1.00 0.00 H new ATOM 0 HZ1 LYS 1 121 11.632 10.493 3.696 1.00 0.00 H new ATOM 0 HZ2 LYS 1 121 11.449 10.649 5.377 1.00 0.00 H new ATOM 0 HZ3 LYS 1 121 12.002 9.186 4.715 1.00 0.00 H new ATOM 1850 N ASP 1 122 10.415 3.902 4.307 1.00 0.00 N ATOM 1851 CA ASP 1 122 10.601 3.252 3.047 1.00 0.00 C ATOM 1852 C ASP 1 122 9.772 1.974 3.050 1.00 0.00 C ATOM 1853 O ASP 1 122 9.733 1.253 2.073 1.00 0.00 O ATOM 1854 CB ASP 1 122 12.064 2.953 2.795 1.00 0.00 C ATOM 1855 CG ASP 1 122 12.860 4.199 2.467 1.00 0.00 C ATOM 1856 OD1 ASP 1 122 12.280 5.139 1.885 1.00 0.00 O ATOM 1857 OD2 ASP 1 122 14.067 4.236 2.791 1.00 0.00 O ATOM 0 H ASP 1 122 11.251 3.948 4.890 1.00 0.00 H new ATOM 0 HA ASP 1 122 10.272 3.907 2.240 1.00 0.00 H new ATOM 0 HB2 ASP 1 122 12.491 2.474 3.676 1.00 0.00 H new ATOM 0 HB3 ASP 1 122 12.150 2.243 1.973 1.00 0.00 H new ATOM 1862 N ASN 1 123 9.147 1.666 4.189 1.00 0.00 N ATOM 1863 CA ASN 1 123 8.351 0.470 4.304 1.00 0.00 C ATOM 1864 C ASN 1 123 7.175 0.521 3.345 1.00 0.00 C ATOM 1865 O ASN 1 123 7.024 -0.318 2.470 1.00 0.00 O ATOM 1866 CB ASN 1 123 7.840 0.340 5.750 1.00 0.00 C ATOM 1867 CG ASN 1 123 6.633 -0.535 5.792 1.00 0.00 C ATOM 1868 OD1 ASN 1 123 5.771 -0.394 6.659 1.00 0.00 O ATOM 1869 ND2 ASN 1 123 6.576 -1.455 4.846 1.00 0.00 N ATOM 0 H ASN 1 123 9.184 2.235 5.035 1.00 0.00 H new ATOM 0 HA ASN 1 123 8.966 -0.394 4.051 1.00 0.00 H new ATOM 0 HB2 ASN 1 123 8.623 -0.077 6.384 1.00 0.00 H new ATOM 0 HB3 ASN 1 123 7.598 1.325 6.148 1.00 0.00 H new ATOM 0 HD21 ASN 1 123 5.785 -2.098 4.807 1.00 0.00 H new ATOM 0 HD22 ASN 1 123 7.323 -1.522 4.154 1.00 0.00 H new ATOM 1876 N LEU 1 124 6.369 1.512 3.489 1.00 0.00 N ATOM 1877 CA LEU 1 124 5.238 1.670 2.603 1.00 0.00 C ATOM 1878 C LEU 1 124 5.730 1.933 1.206 1.00 0.00 C ATOM 1879 O LEU 1 124 5.383 1.244 0.251 1.00 0.00 O ATOM 1880 CB LEU 1 124 4.338 2.808 3.042 1.00 0.00 C ATOM 1881 CG LEU 1 124 4.489 3.227 4.487 1.00 0.00 C ATOM 1882 CD1 LEU 1 124 4.293 2.030 5.417 1.00 0.00 C ATOM 1883 CD2 LEU 1 124 5.855 3.863 4.691 1.00 0.00 C ATOM 0 H LEU 1 124 6.459 2.232 4.206 1.00 0.00 H new ATOM 0 HA LEU 1 124 4.656 0.749 2.632 1.00 0.00 H new ATOM 0 HB2 LEU 1 124 4.535 3.672 2.407 1.00 0.00 H new ATOM 0 HB3 LEU 1 124 3.302 2.517 2.871 1.00 0.00 H new ATOM 0 HG LEU 1 124 3.722 3.962 4.731 1.00 0.00 H new ATOM 0 HD11 LEU 1 124 4.405 2.351 6.452 1.00 0.00 H new ATOM 0 HD12 LEU 1 124 3.295 1.616 5.272 1.00 0.00 H new ATOM 0 HD13 LEU 1 124 5.038 1.268 5.191 1.00 0.00 H new ATOM 0 HD21 LEU 1 124 5.964 4.165 5.733 1.00 0.00 H new ATOM 0 HD22 LEU 1 124 6.633 3.143 4.439 1.00 0.00 H new ATOM 0 HD23 LEU 1 124 5.949 4.738 4.048 1.00 0.00 H new ATOM 1895 N LEU 1 125 6.540 2.964 1.108 1.00 0.00 N ATOM 1896 CA LEU 1 125 7.098 3.372 -0.149 1.00 0.00 C ATOM 1897 C LEU 1 125 7.925 2.279 -0.791 1.00 0.00 C ATOM 1898 O LEU 1 125 7.840 2.057 -1.996 1.00 0.00 O ATOM 1899 CB LEU 1 125 7.983 4.585 0.061 1.00 0.00 C ATOM 1900 CG LEU 1 125 7.257 5.874 0.423 1.00 0.00 C ATOM 1901 CD1 LEU 1 125 6.850 5.817 1.879 1.00 0.00 C ATOM 1902 CD2 LEU 1 125 8.143 7.082 0.154 1.00 0.00 C ATOM 0 H LEU 1 125 6.826 3.539 1.901 1.00 0.00 H new ATOM 0 HA LEU 1 125 6.265 3.604 -0.813 1.00 0.00 H new ATOM 0 HB2 LEU 1 125 8.699 4.358 0.851 1.00 0.00 H new ATOM 0 HB3 LEU 1 125 8.557 4.756 -0.850 1.00 0.00 H new ATOM 0 HG LEU 1 125 6.365 5.976 -0.196 1.00 0.00 H new ATOM 0 HD11 LEU 1 125 6.329 6.736 2.147 1.00 0.00 H new ATOM 0 HD12 LEU 1 125 6.189 4.965 2.039 1.00 0.00 H new ATOM 0 HD13 LEU 1 125 7.738 5.708 2.501 1.00 0.00 H new ATOM 0 HD21 LEU 1 125 7.606 7.993 0.419 1.00 0.00 H new ATOM 0 HD22 LEU 1 125 9.051 7.008 0.753 1.00 0.00 H new ATOM 0 HD23 LEU 1 125 8.407 7.111 -0.903 1.00 0.00 H new ATOM 1914 N TYR 1 126 8.769 1.633 0.005 1.00 0.00 N ATOM 1915 CA TYR 1 126 9.654 0.614 -0.527 1.00 0.00 C ATOM 1916 C TYR 1 126 9.350 -0.765 0.021 1.00 0.00 C ATOM 1917 O TYR 1 126 9.559 -1.769 -0.662 1.00 0.00 O ATOM 1918 CB TYR 1 126 11.097 0.998 -0.221 1.00 0.00 C ATOM 1919 CG TYR 1 126 11.831 1.567 -1.411 1.00 0.00 C ATOM 1920 CD1 TYR 1 126 11.288 2.621 -2.129 1.00 0.00 C ATOM 1921 CD2 TYR 1 126 13.054 1.051 -1.821 1.00 0.00 C ATOM 1922 CE1 TYR 1 126 11.941 3.151 -3.225 1.00 0.00 C ATOM 1923 CE2 TYR 1 126 13.715 1.575 -2.916 1.00 0.00 C ATOM 1924 CZ TYR 1 126 13.155 2.625 -3.615 1.00 0.00 C ATOM 1925 OH TYR 1 126 13.808 3.150 -4.708 1.00 0.00 O ATOM 0 H TYR 1 126 8.856 1.796 1.008 1.00 0.00 H new ATOM 0 HA TYR 1 126 9.496 0.563 -1.604 1.00 0.00 H new ATOM 0 HB2 TYR 1 126 11.107 1.730 0.587 1.00 0.00 H new ATOM 0 HB3 TYR 1 126 11.631 0.119 0.139 1.00 0.00 H new ATOM 0 HD1 TYR 1 126 10.338 3.035 -1.826 1.00 0.00 H new ATOM 0 HD2 TYR 1 126 13.494 0.229 -1.276 1.00 0.00 H new ATOM 0 HE1 TYR 1 126 11.504 3.972 -3.773 1.00 0.00 H new ATOM 0 HE2 TYR 1 126 14.666 1.165 -3.223 1.00 0.00 H new ATOM 0 HH TYR 1 126 14.650 2.668 -4.849 1.00 0.00 H new ATOM 1935 N GLY 1 127 8.875 -0.826 1.251 1.00 0.00 N ATOM 1936 CA GLY 1 127 8.586 -2.125 1.837 1.00 0.00 C ATOM 1937 C GLY 1 127 9.656 -2.553 2.804 1.00 0.00 C ATOM 1938 O GLY 1 127 9.874 -3.745 3.026 1.00 0.00 O ATOM 0 H GLY 1 127 8.685 -0.021 1.849 1.00 0.00 H new ATOM 0 HA2 GLY 1 127 7.626 -2.086 2.351 1.00 0.00 H new ATOM 0 HA3 GLY 1 127 8.493 -2.868 1.045 1.00 0.00 H new ATOM 1942 N LYS 1 128 10.324 -1.568 3.380 1.00 0.00 N ATOM 1943 CA LYS 1 128 11.368 -1.813 4.331 1.00 0.00 C ATOM 1944 C LYS 1 128 10.787 -2.241 5.676 1.00 0.00 C ATOM 1945 O LYS 1 128 11.578 -2.557 6.589 1.00 0.00 O ATOM 1946 CB LYS 1 128 12.163 -0.538 4.512 1.00 0.00 C ATOM 1947 CG LYS 1 128 12.863 -0.073 3.257 1.00 0.00 C ATOM 1948 CD LYS 1 128 14.082 0.770 3.603 1.00 0.00 C ATOM 1949 CE LYS 1 128 15.119 0.734 2.492 1.00 0.00 C ATOM 1950 NZ LYS 1 128 16.231 1.693 2.738 1.00 0.00 N ATOM 1951 OXT LYS 1 128 9.546 -2.256 5.804 1.00 0.00 O ATOM 0 H LYS 1 128 10.150 -0.580 3.194 1.00 0.00 H new ATOM 0 HA LYS 1 128 12.007 -2.615 3.962 1.00 0.00 H new ATOM 0 HB2 LYS 1 128 11.494 0.250 4.857 1.00 0.00 H new ATOM 0 HB3 LYS 1 128 12.905 -0.692 5.295 1.00 0.00 H new ATOM 0 HG2 LYS 1 128 13.167 -0.935 2.663 1.00 0.00 H new ATOM 0 HG3 LYS 1 128 12.174 0.509 2.644 1.00 0.00 H new ATOM 0 HD2 LYS 1 128 13.774 1.800 3.781 1.00 0.00 H new ATOM 0 HD3 LYS 1 128 14.527 0.405 4.529 1.00 0.00 H new ATOM 0 HE2 LYS 1 128 15.522 -0.275 2.405 1.00 0.00 H new ATOM 0 HE3 LYS 1 128 14.641 0.969 1.541 1.00 0.00 H new ATOM 0 HZ1 LYS 1 128 16.916 1.637 1.958 1.00 0.00 H new ATOM 0 HZ2 LYS 1 128 15.850 2.659 2.796 1.00 0.00 H new ATOM 0 HZ3 LYS 1 128 16.704 1.453 3.632 1.00 0.00 H new