USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 693 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: A 55 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 92 LYS NZ :NH3+ -123:sc= -0.437 (180deg=-1.87!) USER MOD Set 2.1: A 66 MET CE :methyl -160:sc= -0.0375 (180deg=-0.31) USER MOD Set 2.2: A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -2.24! C(o=-2.2!,f=-20!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0324 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0217 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot -170:sc= 0.00396 USER MOD Single : A 45 ASN : amide:sc= -2.79 K(o=-2.8,f=-0.82) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.575 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -148:sc= -0.0278 (180deg=-0.278) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.00062) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.346 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -171:sc= -1.15 (180deg=-1.3) USER MOD Single : A 78 MET CE :methyl 149:sc= -0.446 (180deg=-1.73!) USER MOD Single : A 79 TYR OH : rot 12:sc= 1.2 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.825 K(o=-0.82,f=-0.29) USER MOD Single : A 87 TYR OH : rot 29:sc= 0.7 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot -147:sc= 0.199 USER MOD Single : A 97 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 98 HIS : no HD1:sc= -1.63 K(o=-1.6,f=-0.023) USER MOD Single : A 102 SER OG : rot 24:sc= 1.53 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 158:sc= -0.0743 (180deg=-0.449) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= -1.37! C(o=-1.4!,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 241 N ASN A 20 3.639 18.603 -0.557 1.00 0.00 N ATOM 242 CA ASN A 20 2.484 18.242 0.258 1.00 0.00 C ATOM 243 C ASN A 20 2.117 16.774 0.060 1.00 0.00 C ATOM 244 O ASN A 20 1.560 16.381 -0.965 1.00 0.00 O ATOM 245 CB ASN A 20 1.289 19.130 -0.093 1.00 0.00 C ATOM 246 CG ASN A 20 0.030 18.726 0.651 1.00 0.00 C ATOM 247 OD1 ASN A 20 -0.112 17.579 1.074 1.00 0.00 O ATOM 248 ND2 ASN A 20 -0.890 19.669 0.812 1.00 0.00 N ATOM 0 HA ASN A 20 2.746 18.395 1.305 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.529 20.167 0.141 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.105 19.080 -1.166 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -1.758 19.456 1.304 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.729 20.607 0.444 1.00 0.00 H new ATOM 255 N PRO A 21 2.435 15.944 1.064 1.00 0.00 N ATOM 256 CA PRO A 21 2.147 14.507 1.025 1.00 0.00 C ATOM 257 C PRO A 21 0.654 14.213 1.124 1.00 0.00 C ATOM 258 O PRO A 21 0.161 13.250 0.537 1.00 0.00 O ATOM 259 CB PRO A 21 2.882 13.965 2.253 1.00 0.00 C ATOM 260 CG PRO A 21 2.970 15.124 3.185 1.00 0.00 C ATOM 261 CD PRO A 21 3.100 16.344 2.316 1.00 0.00 C ATOM 0 HA PRO A 21 2.464 14.052 0.087 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.339 13.134 2.704 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.872 13.593 1.989 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.083 15.186 3.815 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.828 15.026 3.851 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.619 17.212 2.767 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.144 16.609 2.149 1.00 0.00 H new ATOM 269 N ALA A 22 -0.061 15.048 1.871 1.00 0.00 N ATOM 270 CA ALA A 22 -1.498 14.878 2.045 1.00 0.00 C ATOM 271 C ALA A 22 -2.218 14.886 0.701 1.00 0.00 C ATOM 272 O ALA A 22 -3.076 14.042 0.439 1.00 0.00 O ATOM 273 CB ALA A 22 -2.053 15.968 2.950 1.00 0.00 C ATOM 0 H ALA A 22 0.332 15.849 2.365 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.670 13.909 2.514 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.127 15.828 3.071 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.568 15.914 3.925 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.862 16.944 2.504 1.00 0.00 H new ATOM 279 N LEU A 23 -1.866 15.846 -0.148 1.00 0.00 N ATOM 280 CA LEU A 23 -2.480 15.965 -1.466 1.00 0.00 C ATOM 281 C LEU A 23 -2.388 14.648 -2.230 1.00 0.00 C ATOM 282 O LEU A 23 -3.350 14.220 -2.868 1.00 0.00 O ATOM 283 CB LEU A 23 -1.804 17.079 -2.266 1.00 0.00 C ATOM 284 CG LEU A 23 -2.377 18.484 -2.076 1.00 0.00 C ATOM 285 CD1 LEU A 23 -1.466 19.523 -2.712 1.00 0.00 C ATOM 286 CD2 LEU A 23 -3.778 18.572 -2.661 1.00 0.00 C ATOM 0 H LEU A 23 -1.159 16.553 0.053 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.533 16.212 -1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.747 17.100 -2.000 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.861 16.825 -3.324 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.437 18.689 -1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.890 20.517 -2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.481 19.477 -2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.373 19.321 -3.779 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.170 19.579 -2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.742 18.346 -3.727 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.427 17.854 -2.159 1.00 0.00 H new ATOM 298 N VAL A 24 -1.225 14.008 -2.159 1.00 0.00 N ATOM 299 CA VAL A 24 -1.009 12.737 -2.841 1.00 0.00 C ATOM 300 C VAL A 24 -2.092 11.727 -2.479 1.00 0.00 C ATOM 301 O VAL A 24 -2.492 11.619 -1.319 1.00 0.00 O ATOM 302 CB VAL A 24 0.369 12.142 -2.495 1.00 0.00 C ATOM 303 CG1 VAL A 24 0.533 10.770 -3.132 1.00 0.00 C ATOM 304 CG2 VAL A 24 1.481 13.081 -2.938 1.00 0.00 C ATOM 0 H VAL A 24 -0.418 14.349 -1.636 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.051 12.941 -3.911 1.00 0.00 H new ATOM 0 HB VAL A 24 0.434 12.024 -1.413 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.512 10.365 -2.877 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.244 10.101 -2.761 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.448 10.859 -4.215 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.448 12.645 -2.686 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.421 13.233 -4.016 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.372 14.039 -2.430 1.00 0.00 H new ATOM 314 N SER A 25 -2.564 10.989 -3.478 1.00 0.00 N ATOM 315 CA SER A 25 -3.604 9.990 -3.266 1.00 0.00 C ATOM 316 C SER A 25 -3.287 8.705 -4.026 1.00 0.00 C ATOM 317 O SER A 25 -2.477 8.704 -4.953 1.00 0.00 O ATOM 318 CB SER A 25 -4.963 10.535 -3.709 1.00 0.00 C ATOM 319 OG SER A 25 -5.441 11.513 -2.801 1.00 0.00 O ATOM 0 H SER A 25 -2.242 11.064 -4.443 1.00 0.00 H new ATOM 0 HA SER A 25 -3.641 9.762 -2.201 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.877 10.970 -4.705 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.681 9.718 -3.779 1.00 0.00 H new ATOM 0 HG SER A 25 -6.310 11.847 -3.107 1.00 0.00 H new ATOM 325 N ALA A 26 -3.930 7.614 -3.625 1.00 0.00 N ATOM 326 CA ALA A 26 -3.719 6.323 -4.269 1.00 0.00 C ATOM 327 C ALA A 26 -5.028 5.551 -4.393 1.00 0.00 C ATOM 328 O ALA A 26 -5.803 5.465 -3.439 1.00 0.00 O ATOM 329 CB ALA A 26 -2.695 5.508 -3.493 1.00 0.00 C ATOM 0 H ALA A 26 -4.601 7.598 -2.857 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.338 6.504 -5.274 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.547 4.547 -3.985 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.749 6.048 -3.460 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.054 5.344 -2.477 1.00 0.00 H new ATOM 335 N TYR A 27 -5.269 4.991 -5.573 1.00 0.00 N ATOM 336 CA TYR A 27 -6.487 4.228 -5.822 1.00 0.00 C ATOM 337 C TYR A 27 -6.241 3.132 -6.854 1.00 0.00 C ATOM 338 O TYR A 27 -5.285 3.193 -7.626 1.00 0.00 O ATOM 339 CB TYR A 27 -7.605 5.155 -6.302 1.00 0.00 C ATOM 340 CG TYR A 27 -7.243 5.953 -7.534 1.00 0.00 C ATOM 341 CD1 TYR A 27 -7.068 5.330 -8.763 1.00 0.00 C ATOM 342 CD2 TYR A 27 -7.076 7.331 -7.468 1.00 0.00 C ATOM 343 CE1 TYR A 27 -6.736 6.056 -9.891 1.00 0.00 C ATOM 344 CE2 TYR A 27 -6.746 8.065 -8.591 1.00 0.00 C ATOM 345 CZ TYR A 27 -6.576 7.423 -9.800 1.00 0.00 C ATOM 346 OH TYR A 27 -6.247 8.150 -10.921 1.00 0.00 O ATOM 0 H TYR A 27 -4.638 5.051 -6.372 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.790 3.759 -4.886 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.493 4.560 -6.513 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.866 5.843 -5.498 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.194 4.260 -8.838 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -7.206 7.837 -6.523 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.603 5.556 -10.839 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -6.622 9.136 -8.523 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.173 9.098 -10.686 1.00 0.00 H new ATOM 356 N GLY A 28 -7.114 2.129 -6.863 1.00 0.00 N ATOM 357 CA GLY A 28 -6.976 1.033 -7.804 1.00 0.00 C ATOM 358 C GLY A 28 -7.812 -0.171 -7.418 1.00 0.00 C ATOM 359 O GLY A 28 -8.813 -0.042 -6.712 1.00 0.00 O ATOM 0 H GLY A 28 -7.915 2.056 -6.235 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.270 1.372 -8.797 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.928 0.740 -7.864 1.00 0.00 H new ATOM 363 N THR A 29 -7.403 -1.348 -7.884 1.00 0.00 N ATOM 364 CA THR A 29 -8.123 -2.579 -7.586 1.00 0.00 C ATOM 365 C THR A 29 -7.392 -3.403 -6.533 1.00 0.00 C ATOM 366 O THR A 29 -8.015 -4.096 -5.730 1.00 0.00 O ATOM 367 CB THR A 29 -8.314 -3.438 -8.851 1.00 0.00 C ATOM 368 OG1 THR A 29 -8.800 -2.626 -9.926 1.00 0.00 O ATOM 369 CG2 THR A 29 -9.287 -4.578 -8.590 1.00 0.00 C ATOM 0 H THR A 29 -6.577 -1.473 -8.469 1.00 0.00 H new ATOM 0 HA THR A 29 -9.100 -2.288 -7.201 1.00 0.00 H new ATOM 0 HB THR A 29 -7.348 -3.862 -9.124 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.917 -3.179 -10.727 1.00 0.00 H new ATOM 0 HG21 THR A 29 -9.406 -5.170 -9.497 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.900 -5.211 -7.792 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.254 -4.171 -8.294 1.00 0.00 H new ATOM 377 N GLY A 30 -6.065 -3.321 -6.540 1.00 0.00 N ATOM 378 CA GLY A 30 -5.270 -4.064 -5.579 1.00 0.00 C ATOM 379 C GLY A 30 -5.506 -3.605 -4.154 1.00 0.00 C ATOM 380 O GLY A 30 -5.144 -4.299 -3.203 1.00 0.00 O ATOM 0 H GLY A 30 -5.526 -2.753 -7.194 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.506 -5.125 -5.660 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.213 -3.953 -5.823 1.00 0.00 H new ATOM 384 N LEU A 31 -6.114 -2.434 -4.004 1.00 0.00 N ATOM 385 CA LEU A 31 -6.397 -1.882 -2.684 1.00 0.00 C ATOM 386 C LEU A 31 -7.721 -2.413 -2.144 1.00 0.00 C ATOM 387 O LEU A 31 -7.966 -2.384 -0.939 1.00 0.00 O ATOM 388 CB LEU A 31 -6.435 -0.354 -2.746 1.00 0.00 C ATOM 389 CG LEU A 31 -5.101 0.340 -3.024 1.00 0.00 C ATOM 390 CD1 LEU A 31 -5.310 1.830 -3.247 1.00 0.00 C ATOM 391 CD2 LEU A 31 -4.127 0.102 -1.880 1.00 0.00 C ATOM 0 H LEU A 31 -6.421 -1.848 -4.780 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.600 -2.193 -2.009 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.143 -0.059 -3.520 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.825 0.018 -1.799 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.675 -0.086 -3.932 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.350 2.307 -3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.971 1.981 -4.100 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.759 2.272 -2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.183 0.603 -2.095 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.547 0.500 -0.956 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.952 -0.968 -1.768 1.00 0.00 H new ATOM 403 N GLU A 32 -8.569 -2.899 -3.044 1.00 0.00 N ATOM 404 CA GLU A 32 -9.867 -3.439 -2.657 1.00 0.00 C ATOM 405 C GLU A 32 -9.703 -4.678 -1.782 1.00 0.00 C ATOM 406 O GLU A 32 -10.536 -4.959 -0.922 1.00 0.00 O ATOM 407 CB GLU A 32 -10.693 -3.783 -3.898 1.00 0.00 C ATOM 408 CG GLU A 32 -11.036 -2.577 -4.755 1.00 0.00 C ATOM 409 CD GLU A 32 -12.293 -1.868 -4.288 1.00 0.00 C ATOM 410 OE1 GLU A 32 -12.448 -1.681 -3.063 1.00 0.00 O ATOM 411 OE2 GLU A 32 -13.121 -1.501 -5.148 1.00 0.00 O ATOM 0 H GLU A 32 -8.381 -2.930 -4.046 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.391 -2.676 -2.081 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.142 -4.503 -4.503 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.617 -4.270 -3.586 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.201 -1.876 -4.740 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.166 -2.896 -5.789 1.00 0.00 H new ATOM 418 N GLY A 33 -8.620 -5.416 -2.009 1.00 0.00 N ATOM 419 CA GLY A 33 -8.365 -6.617 -1.235 1.00 0.00 C ATOM 420 C GLY A 33 -7.193 -7.414 -1.771 1.00 0.00 C ATOM 421 O GLY A 33 -6.511 -6.981 -2.699 1.00 0.00 O ATOM 0 H GLY A 33 -7.915 -5.203 -2.715 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.170 -6.343 -0.198 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.257 -7.243 -1.237 1.00 0.00 H new ATOM 425 N GLY A 34 -6.957 -8.584 -1.184 1.00 0.00 N ATOM 426 CA GLY A 34 -5.857 -9.424 -1.620 1.00 0.00 C ATOM 427 C GLY A 34 -6.317 -10.571 -2.498 1.00 0.00 C ATOM 428 O GLY A 34 -6.877 -11.552 -2.009 1.00 0.00 O ATOM 0 H GLY A 34 -7.508 -8.965 -0.415 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.136 -8.818 -2.168 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.340 -9.823 -0.747 1.00 0.00 H new ATOM 432 N THR A 35 -6.082 -10.448 -3.801 1.00 0.00 N ATOM 433 CA THR A 35 -6.478 -11.481 -4.750 1.00 0.00 C ATOM 434 C THR A 35 -5.299 -12.376 -5.113 1.00 0.00 C ATOM 435 O THR A 35 -4.371 -11.951 -5.802 1.00 0.00 O ATOM 436 CB THR A 35 -7.058 -10.868 -6.038 1.00 0.00 C ATOM 437 OG1 THR A 35 -6.407 -9.625 -6.326 1.00 0.00 O ATOM 438 CG2 THR A 35 -8.556 -10.641 -5.903 1.00 0.00 C ATOM 0 H THR A 35 -5.619 -9.643 -4.223 1.00 0.00 H new ATOM 0 HA THR A 35 -7.248 -12.079 -4.262 1.00 0.00 H new ATOM 0 HB THR A 35 -6.884 -11.567 -6.856 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.780 -9.243 -7.147 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.943 -10.207 -6.825 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.053 -11.593 -5.713 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.748 -9.960 -5.074 1.00 0.00 H new ATOM 446 N THR A 36 -5.340 -13.620 -4.645 1.00 0.00 N ATOM 447 CA THR A 36 -4.274 -14.575 -4.920 1.00 0.00 C ATOM 448 C THR A 36 -4.428 -15.186 -6.308 1.00 0.00 C ATOM 449 O THR A 36 -5.487 -15.707 -6.654 1.00 0.00 O ATOM 450 CB THR A 36 -4.249 -15.706 -3.874 1.00 0.00 C ATOM 451 OG1 THR A 36 -4.674 -15.205 -2.601 1.00 0.00 O ATOM 452 CG2 THR A 36 -2.854 -16.299 -3.751 1.00 0.00 C ATOM 0 H THR A 36 -6.100 -13.989 -4.074 1.00 0.00 H new ATOM 0 HA THR A 36 -3.335 -14.023 -4.871 1.00 0.00 H new ATOM 0 HB THR A 36 -4.932 -16.490 -4.202 1.00 0.00 H new ATOM 0 HG1 THR A 36 -4.657 -15.930 -1.942 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.861 -17.095 -3.007 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.545 -16.705 -4.714 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.154 -15.522 -3.444 1.00 0.00 H new ATOM 460 N GLY A 37 -3.362 -15.119 -7.100 1.00 0.00 N ATOM 461 CA GLY A 37 -3.400 -15.671 -8.442 1.00 0.00 C ATOM 462 C GLY A 37 -3.586 -14.603 -9.502 1.00 0.00 C ATOM 463 O GLY A 37 -3.158 -14.772 -10.644 1.00 0.00 O ATOM 0 H GLY A 37 -2.474 -14.693 -6.837 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.474 -16.213 -8.635 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.213 -16.394 -8.512 1.00 0.00 H new ATOM 467 N ILE A 38 -4.229 -13.503 -9.125 1.00 0.00 N ATOM 468 CA ILE A 38 -4.471 -12.405 -10.052 1.00 0.00 C ATOM 469 C ILE A 38 -3.471 -11.274 -9.839 1.00 0.00 C ATOM 470 O ILE A 38 -2.866 -11.161 -8.773 1.00 0.00 O ATOM 471 CB ILE A 38 -5.899 -11.847 -9.903 1.00 0.00 C ATOM 472 CG1 ILE A 38 -6.916 -12.990 -9.875 1.00 0.00 C ATOM 473 CG2 ILE A 38 -6.211 -10.880 -11.035 1.00 0.00 C ATOM 474 CD1 ILE A 38 -8.279 -12.574 -9.368 1.00 0.00 C ATOM 0 H ILE A 38 -4.592 -13.349 -8.184 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.350 -12.809 -11.057 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.965 -11.304 -8.960 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.020 -13.397 -10.881 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.532 -13.792 -9.244 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.224 -10.494 -10.915 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.502 -10.052 -11.012 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.131 -11.400 -11.990 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -8.948 -13.434 -9.376 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -8.188 -12.194 -8.350 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.684 -11.793 -10.012 1.00 0.00 H new ATOM 486 N GLN A 39 -3.304 -10.438 -10.859 1.00 0.00 N ATOM 487 CA GLN A 39 -2.378 -9.315 -10.782 1.00 0.00 C ATOM 488 C GLN A 39 -3.131 -7.989 -10.750 1.00 0.00 C ATOM 489 O GLN A 39 -3.674 -7.548 -11.763 1.00 0.00 O ATOM 490 CB GLN A 39 -1.414 -9.339 -11.970 1.00 0.00 C ATOM 491 CG GLN A 39 -0.707 -8.014 -12.207 1.00 0.00 C ATOM 492 CD GLN A 39 0.261 -8.070 -13.372 1.00 0.00 C ATOM 493 OE1 GLN A 39 0.059 -7.413 -14.394 1.00 0.00 O ATOM 494 NE2 GLN A 39 1.321 -8.856 -13.224 1.00 0.00 N ATOM 0 H GLN A 39 -3.798 -10.517 -11.748 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.808 -9.410 -9.858 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.667 -10.115 -11.805 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -1.966 -9.613 -12.869 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.450 -7.238 -12.394 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.167 -7.728 -11.304 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.449 -9.383 -12.360 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.008 -8.933 -13.974 1.00 0.00 H new ATOM 503 N SER A 40 -3.161 -7.359 -9.580 1.00 0.00 N ATOM 504 CA SER A 40 -3.852 -6.086 -9.415 1.00 0.00 C ATOM 505 C SER A 40 -2.941 -4.921 -9.792 1.00 0.00 C ATOM 506 O SER A 40 -1.725 -5.078 -9.892 1.00 0.00 O ATOM 507 CB SER A 40 -4.333 -5.925 -7.972 1.00 0.00 C ATOM 508 OG SER A 40 -3.281 -6.166 -7.054 1.00 0.00 O ATOM 0 H SER A 40 -2.715 -7.710 -8.732 1.00 0.00 H new ATOM 0 HA SER A 40 -4.715 -6.081 -10.081 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.724 -4.918 -7.826 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.153 -6.616 -7.780 1.00 0.00 H new ATOM 0 HG SER A 40 -3.644 -6.213 -6.145 1.00 0.00 H new ATOM 514 N GLU A 41 -3.541 -3.753 -10.000 1.00 0.00 N ATOM 515 CA GLU A 41 -2.784 -2.561 -10.367 1.00 0.00 C ATOM 516 C GLU A 41 -3.460 -1.302 -9.834 1.00 0.00 C ATOM 517 O GLU A 41 -4.634 -1.051 -10.106 1.00 0.00 O ATOM 518 CB GLU A 41 -2.638 -2.471 -11.887 1.00 0.00 C ATOM 519 CG GLU A 41 -3.963 -2.519 -12.630 1.00 0.00 C ATOM 520 CD GLU A 41 -4.664 -3.856 -12.486 1.00 0.00 C ATOM 521 OE1 GLU A 41 -4.093 -4.875 -12.931 1.00 0.00 O ATOM 522 OE2 GLU A 41 -5.781 -3.885 -11.930 1.00 0.00 O ATOM 0 H GLU A 41 -4.547 -3.607 -9.921 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.794 -2.638 -9.918 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.123 -1.544 -12.140 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.008 -3.291 -12.232 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.614 -1.729 -12.255 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.790 -2.315 -13.687 1.00 0.00 H new ATOM 529 N PHE A 42 -2.711 -0.512 -9.071 1.00 0.00 N ATOM 530 CA PHE A 42 -3.237 0.721 -8.498 1.00 0.00 C ATOM 531 C PHE A 42 -2.324 1.901 -8.815 1.00 0.00 C ATOM 532 O PHE A 42 -1.118 1.850 -8.573 1.00 0.00 O ATOM 533 CB PHE A 42 -3.395 0.577 -6.983 1.00 0.00 C ATOM 534 CG PHE A 42 -2.104 0.720 -6.229 1.00 0.00 C ATOM 535 CD1 PHE A 42 -1.561 1.972 -5.991 1.00 0.00 C ATOM 536 CD2 PHE A 42 -1.434 -0.397 -5.758 1.00 0.00 C ATOM 537 CE1 PHE A 42 -0.373 2.108 -5.297 1.00 0.00 C ATOM 538 CE2 PHE A 42 -0.246 -0.268 -5.063 1.00 0.00 C ATOM 539 CZ PHE A 42 0.285 0.986 -4.834 1.00 0.00 C ATOM 0 H PHE A 42 -1.737 -0.704 -8.835 1.00 0.00 H new ATOM 0 HA PHE A 42 -4.214 0.911 -8.942 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.100 1.328 -6.626 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.829 -0.398 -6.762 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.072 2.852 -6.352 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.844 -1.380 -5.936 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.039 3.090 -5.117 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.266 -1.147 -4.700 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.214 1.089 -4.293 1.00 0.00 H new ATOM 549 N PHE A 43 -2.907 2.964 -9.359 1.00 0.00 N ATOM 550 CA PHE A 43 -2.147 4.157 -9.712 1.00 0.00 C ATOM 551 C PHE A 43 -2.065 5.118 -8.529 1.00 0.00 C ATOM 552 O PHE A 43 -2.770 4.956 -7.534 1.00 0.00 O ATOM 553 CB PHE A 43 -2.787 4.860 -10.911 1.00 0.00 C ATOM 554 CG PHE A 43 -2.402 4.260 -12.233 1.00 0.00 C ATOM 555 CD1 PHE A 43 -2.818 2.983 -12.576 1.00 0.00 C ATOM 556 CD2 PHE A 43 -1.625 4.972 -13.132 1.00 0.00 C ATOM 557 CE1 PHE A 43 -2.464 2.429 -13.792 1.00 0.00 C ATOM 558 CE2 PHE A 43 -1.269 4.423 -14.349 1.00 0.00 C ATOM 559 CZ PHE A 43 -1.690 3.149 -14.680 1.00 0.00 C ATOM 0 H PHE A 43 -3.904 3.023 -9.565 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.136 3.848 -9.979 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.871 4.824 -10.807 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.500 5.912 -10.901 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.425 2.415 -11.886 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.293 5.968 -12.879 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -2.793 1.433 -14.047 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.662 4.989 -15.041 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.414 2.718 -15.631 1.00 0.00 H new ATOM 569 N ILE A 44 -1.198 6.119 -8.647 1.00 0.00 N ATOM 570 CA ILE A 44 -1.023 7.106 -7.589 1.00 0.00 C ATOM 571 C ILE A 44 -1.252 8.520 -8.113 1.00 0.00 C ATOM 572 O ILE A 44 -0.586 8.960 -9.049 1.00 0.00 O ATOM 573 CB ILE A 44 0.383 7.022 -6.968 1.00 0.00 C ATOM 574 CG1 ILE A 44 0.665 5.599 -6.480 1.00 0.00 C ATOM 575 CG2 ILE A 44 0.517 8.016 -5.823 1.00 0.00 C ATOM 576 CD1 ILE A 44 2.111 5.366 -6.100 1.00 0.00 C ATOM 0 H ILE A 44 -0.606 6.267 -9.465 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.764 6.881 -6.822 1.00 0.00 H new ATOM 0 HB ILE A 44 1.117 7.276 -7.732 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.033 5.387 -5.618 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.385 4.893 -7.262 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.517 7.945 -5.394 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.354 9.027 -6.198 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.224 7.790 -5.056 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.238 4.337 -5.764 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.748 5.546 -6.966 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.390 6.047 -5.296 1.00 0.00 H new ATOM 588 N ASN A 45 -2.196 9.226 -7.502 1.00 0.00 N ATOM 589 CA ASN A 45 -2.512 10.592 -7.906 1.00 0.00 C ATOM 590 C ASN A 45 -1.398 11.551 -7.499 1.00 0.00 C ATOM 591 O ASN A 45 -1.525 12.292 -6.524 1.00 0.00 O ATOM 592 CB ASN A 45 -3.836 11.037 -7.282 1.00 0.00 C ATOM 593 CG ASN A 45 -4.571 12.046 -8.144 1.00 0.00 C ATOM 594 OD1 ASN A 45 -5.478 11.691 -8.897 1.00 0.00 O ATOM 595 ND2 ASN A 45 -4.181 13.310 -8.037 1.00 0.00 N ATOM 0 H ASN A 45 -2.756 8.876 -6.725 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.605 10.611 -8.992 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.472 10.166 -7.125 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.644 11.472 -6.301 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.638 14.033 -8.592 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.424 13.558 -7.399 1.00 0.00 H new ATOM 602 N THR A 46 -0.303 11.532 -8.254 1.00 0.00 N ATOM 603 CA THR A 46 0.834 12.399 -7.973 1.00 0.00 C ATOM 604 C THR A 46 0.976 13.482 -9.036 1.00 0.00 C ATOM 605 O THR A 46 2.071 13.729 -9.543 1.00 0.00 O ATOM 606 CB THR A 46 2.146 11.596 -7.895 1.00 0.00 C ATOM 607 OG1 THR A 46 1.883 10.272 -7.419 1.00 0.00 O ATOM 608 CG2 THR A 46 3.146 12.281 -6.975 1.00 0.00 C ATOM 0 H THR A 46 -0.180 10.925 -9.065 1.00 0.00 H new ATOM 0 HA THR A 46 0.644 12.866 -7.007 1.00 0.00 H new ATOM 0 HB THR A 46 2.573 11.543 -8.896 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.722 9.768 -7.374 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.065 11.696 -6.936 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.367 13.278 -7.356 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.724 12.361 -5.973 1.00 0.00 H new ATOM 616 N THR A 47 -0.137 14.126 -9.371 1.00 0.00 N ATOM 617 CA THR A 47 -0.137 15.183 -10.375 1.00 0.00 C ATOM 618 C THR A 47 -0.305 16.554 -9.731 1.00 0.00 C ATOM 619 O THR A 47 0.427 17.492 -10.047 1.00 0.00 O ATOM 620 CB THR A 47 -1.257 14.974 -11.411 1.00 0.00 C ATOM 621 OG1 THR A 47 -2.511 14.785 -10.745 1.00 0.00 O ATOM 622 CG2 THR A 47 -0.960 13.772 -12.295 1.00 0.00 C ATOM 0 H THR A 47 -1.051 13.934 -8.961 1.00 0.00 H new ATOM 0 HA THR A 47 0.828 15.138 -10.880 1.00 0.00 H new ATOM 0 HB THR A 47 -1.310 15.863 -12.040 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.218 14.654 -11.410 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.765 13.645 -13.019 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.020 13.932 -12.823 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.882 12.877 -11.678 1.00 0.00 H new ATOM 630 N ARG A 48 -1.272 16.662 -8.826 1.00 0.00 N ATOM 631 CA ARG A 48 -1.536 17.920 -8.137 1.00 0.00 C ATOM 632 C ARG A 48 -0.498 18.171 -7.046 1.00 0.00 C ATOM 633 O ARG A 48 -0.382 19.282 -6.530 1.00 0.00 O ATOM 634 CB ARG A 48 -2.939 17.908 -7.528 1.00 0.00 C ATOM 635 CG ARG A 48 -3.028 17.141 -6.218 1.00 0.00 C ATOM 636 CD ARG A 48 -3.119 15.642 -6.455 1.00 0.00 C ATOM 637 NE ARG A 48 -3.858 14.964 -5.394 1.00 0.00 N ATOM 638 CZ ARG A 48 -5.181 14.853 -5.375 1.00 0.00 C ATOM 639 NH1 ARG A 48 -5.907 15.372 -6.355 1.00 0.00 N ATOM 640 NH2 ARG A 48 -5.781 14.221 -4.374 1.00 0.00 N ATOM 0 H ARG A 48 -1.885 15.894 -8.553 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.472 18.726 -8.868 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.262 18.935 -7.360 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.633 17.469 -8.244 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -2.153 17.361 -5.606 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.901 17.476 -5.658 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.606 15.455 -7.412 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -2.115 15.224 -6.521 1.00 0.00 H new ATOM 0 HE ARG A 48 -3.329 14.553 -4.625 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.450 15.858 -7.126 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.923 15.285 -6.338 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -5.226 13.820 -3.618 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.797 14.136 -4.360 1.00 0.00 H new ATOM 654 N ALA A 49 0.252 17.130 -6.700 1.00 0.00 N ATOM 655 CA ALA A 49 1.280 17.238 -5.673 1.00 0.00 C ATOM 656 C ALA A 49 2.619 17.651 -6.276 1.00 0.00 C ATOM 657 O ALA A 49 3.296 18.538 -5.759 1.00 0.00 O ATOM 658 CB ALA A 49 1.420 15.919 -4.926 1.00 0.00 C ATOM 0 H ALA A 49 0.167 16.203 -7.116 1.00 0.00 H new ATOM 0 HA ALA A 49 0.975 18.012 -4.969 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.191 16.014 -4.162 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.471 15.666 -4.454 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.698 15.132 -5.627 1.00 0.00 H new ATOM 664 N GLY A 50 2.994 17.000 -7.373 1.00 0.00 N ATOM 665 CA GLY A 50 4.250 17.314 -8.028 1.00 0.00 C ATOM 666 C GLY A 50 5.136 16.095 -8.197 1.00 0.00 C ATOM 667 O GLY A 50 5.151 15.192 -7.360 1.00 0.00 O ATOM 0 H GLY A 50 2.451 16.261 -7.819 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.047 17.750 -9.006 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.781 18.068 -7.447 1.00 0.00 H new ATOM 671 N PRO A 51 5.895 16.059 -9.302 1.00 0.00 N ATOM 672 CA PRO A 51 6.801 14.947 -9.604 1.00 0.00 C ATOM 673 C PRO A 51 7.999 14.902 -8.661 1.00 0.00 C ATOM 674 O PRO A 51 9.015 15.553 -8.902 1.00 0.00 O ATOM 675 CB PRO A 51 7.257 15.240 -11.035 1.00 0.00 C ATOM 676 CG PRO A 51 7.111 16.714 -11.185 1.00 0.00 C ATOM 677 CD PRO A 51 5.928 17.101 -10.342 1.00 0.00 C ATOM 0 HA PRO A 51 6.312 13.980 -9.487 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.289 14.926 -11.194 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.646 14.706 -11.762 1.00 0.00 H new ATOM 0 HG2 PRO A 51 8.012 17.231 -10.854 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.952 16.986 -12.228 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.049 18.095 -9.911 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.007 17.116 -10.925 1.00 0.00 H new ATOM 685 N GLY A 52 7.873 14.129 -7.587 1.00 0.00 N ATOM 686 CA GLY A 52 8.953 14.014 -6.625 1.00 0.00 C ATOM 687 C GLY A 52 9.363 12.575 -6.382 1.00 0.00 C ATOM 688 O GLY A 52 9.125 11.703 -7.219 1.00 0.00 O ATOM 0 H GLY A 52 7.042 13.580 -7.366 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.815 14.579 -6.982 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.645 14.465 -5.682 1.00 0.00 H new ATOM 692 N THR A 53 9.982 12.323 -5.233 1.00 0.00 N ATOM 693 CA THR A 53 10.428 10.981 -4.883 1.00 0.00 C ATOM 694 C THR A 53 9.450 10.308 -3.927 1.00 0.00 C ATOM 695 O THR A 53 8.988 10.919 -2.963 1.00 0.00 O ATOM 696 CB THR A 53 11.826 11.004 -4.237 1.00 0.00 C ATOM 697 OG1 THR A 53 12.745 11.707 -5.081 1.00 0.00 O ATOM 698 CG2 THR A 53 12.333 9.590 -3.993 1.00 0.00 C ATOM 0 H THR A 53 10.186 13.032 -4.529 1.00 0.00 H new ATOM 0 HA THR A 53 10.474 10.412 -5.811 1.00 0.00 H new ATOM 0 HB THR A 53 11.750 11.516 -3.278 1.00 0.00 H new ATOM 0 HG1 THR A 53 13.631 11.718 -4.662 1.00 0.00 H new ATOM 0 HG21 THR A 53 13.322 9.632 -3.536 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.647 9.068 -3.326 1.00 0.00 H new ATOM 0 HG23 THR A 53 12.394 9.057 -4.942 1.00 0.00 H new ATOM 706 N LEU A 54 9.138 9.045 -4.199 1.00 0.00 N ATOM 707 CA LEU A 54 8.214 8.288 -3.362 1.00 0.00 C ATOM 708 C LEU A 54 8.875 7.019 -2.832 1.00 0.00 C ATOM 709 O LEU A 54 9.915 6.594 -3.333 1.00 0.00 O ATOM 710 CB LEU A 54 6.955 7.929 -4.153 1.00 0.00 C ATOM 711 CG LEU A 54 7.182 7.236 -5.497 1.00 0.00 C ATOM 712 CD1 LEU A 54 7.572 5.781 -5.288 1.00 0.00 C ATOM 713 CD2 LEU A 54 5.937 7.337 -6.366 1.00 0.00 C ATOM 0 H LEU A 54 9.511 8.524 -4.992 1.00 0.00 H new ATOM 0 HA LEU A 54 7.936 8.913 -2.513 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.333 7.282 -3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.388 8.843 -4.329 1.00 0.00 H new ATOM 0 HG LEU A 54 8.001 7.740 -6.010 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.729 5.304 -6.255 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.491 5.731 -4.705 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.775 5.264 -4.754 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.117 6.838 -7.319 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.099 6.859 -5.858 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.702 8.386 -6.544 1.00 0.00 H new ATOM 725 N SER A 55 8.262 6.419 -1.817 1.00 0.00 N ATOM 726 CA SER A 55 8.791 5.200 -1.217 1.00 0.00 C ATOM 727 C SER A 55 7.688 4.161 -1.036 1.00 0.00 C ATOM 728 O SER A 55 6.729 4.379 -0.296 1.00 0.00 O ATOM 729 CB SER A 55 9.441 5.510 0.132 1.00 0.00 C ATOM 730 OG SER A 55 10.229 4.421 0.581 1.00 0.00 O ATOM 0 H SER A 55 7.398 6.757 -1.393 1.00 0.00 H new ATOM 0 HA SER A 55 9.545 4.791 -1.890 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.063 6.401 0.043 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.669 5.732 0.869 1.00 0.00 H new ATOM 0 HG SER A 55 10.635 4.645 1.444 1.00 0.00 H new ATOM 736 N VAL A 56 7.833 3.029 -1.718 1.00 0.00 N ATOM 737 CA VAL A 56 6.851 1.954 -1.632 1.00 0.00 C ATOM 738 C VAL A 56 7.373 0.799 -0.785 1.00 0.00 C ATOM 739 O VAL A 56 8.432 0.236 -1.066 1.00 0.00 O ATOM 740 CB VAL A 56 6.477 1.424 -3.029 1.00 0.00 C ATOM 741 CG1 VAL A 56 5.433 0.323 -2.920 1.00 0.00 C ATOM 742 CG2 VAL A 56 5.978 2.557 -3.912 1.00 0.00 C ATOM 0 H VAL A 56 8.621 2.833 -2.336 1.00 0.00 H new ATOM 0 HA VAL A 56 5.962 2.373 -1.160 1.00 0.00 H new ATOM 0 HB VAL A 56 7.370 1.001 -3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.181 -0.039 -3.917 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.832 -0.499 -2.325 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.537 0.717 -2.440 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.718 2.165 -4.895 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.097 3.011 -3.458 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.761 3.309 -4.016 1.00 0.00 H new ATOM 752 N THR A 57 6.623 0.448 0.254 1.00 0.00 N ATOM 753 CA THR A 57 7.009 -0.640 1.144 1.00 0.00 C ATOM 754 C THR A 57 5.827 -1.557 1.436 1.00 0.00 C ATOM 755 O THR A 57 4.865 -1.155 2.091 1.00 0.00 O ATOM 756 CB THR A 57 7.571 -0.105 2.474 1.00 0.00 C ATOM 757 OG1 THR A 57 8.497 0.957 2.223 1.00 0.00 O ATOM 758 CG2 THR A 57 8.262 -1.214 3.254 1.00 0.00 C ATOM 0 H THR A 57 5.743 0.902 0.500 1.00 0.00 H new ATOM 0 HA THR A 57 7.787 -1.207 0.632 1.00 0.00 H new ATOM 0 HB THR A 57 6.739 0.273 3.069 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.848 1.293 3.074 1.00 0.00 H new ATOM 0 HG21 THR A 57 8.651 -0.813 4.190 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.547 -2.008 3.469 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.084 -1.617 2.662 1.00 0.00 H new ATOM 766 N ILE A 58 5.906 -2.791 0.948 1.00 0.00 N ATOM 767 CA ILE A 58 4.843 -3.765 1.160 1.00 0.00 C ATOM 768 C ILE A 58 5.276 -4.846 2.145 1.00 0.00 C ATOM 769 O ILE A 58 6.436 -5.254 2.162 1.00 0.00 O ATOM 770 CB ILE A 58 4.419 -4.431 -0.162 1.00 0.00 C ATOM 771 CG1 ILE A 58 3.922 -3.377 -1.154 1.00 0.00 C ATOM 772 CG2 ILE A 58 3.342 -5.475 0.092 1.00 0.00 C ATOM 773 CD1 ILE A 58 3.829 -3.881 -2.577 1.00 0.00 C ATOM 0 H ILE A 58 6.695 -3.139 0.403 1.00 0.00 H new ATOM 0 HA ILE A 58 3.993 -3.221 1.572 1.00 0.00 H new ATOM 0 HB ILE A 58 5.287 -4.929 -0.594 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.940 -3.026 -0.837 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.592 -2.518 -1.125 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.053 -5.937 -0.852 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.728 -6.239 0.767 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.472 -4.998 0.544 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.470 -3.080 -3.224 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.814 -4.205 -2.913 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.136 -4.721 -2.621 1.00 0.00 H new ATOM 785 N GLU A 59 4.333 -5.306 2.962 1.00 0.00 N ATOM 786 CA GLU A 59 4.618 -6.340 3.949 1.00 0.00 C ATOM 787 C GLU A 59 3.736 -7.565 3.724 1.00 0.00 C ATOM 788 O GLU A 59 2.935 -7.603 2.790 1.00 0.00 O ATOM 789 CB GLU A 59 4.405 -5.799 5.364 1.00 0.00 C ATOM 790 CG GLU A 59 2.989 -5.988 5.882 1.00 0.00 C ATOM 791 CD GLU A 59 2.747 -5.267 7.194 1.00 0.00 C ATOM 792 OE1 GLU A 59 3.311 -4.169 7.380 1.00 0.00 O ATOM 793 OE2 GLU A 59 1.993 -5.801 8.034 1.00 0.00 O ATOM 0 H GLU A 59 3.367 -4.979 2.959 1.00 0.00 H new ATOM 0 HA GLU A 59 5.660 -6.637 3.834 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.100 -6.295 6.042 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.649 -4.737 5.378 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.282 -5.625 5.136 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.794 -7.052 6.015 1.00 0.00 H new ATOM 800 N GLY A 60 3.889 -8.565 4.586 1.00 0.00 N ATOM 801 CA GLY A 60 3.101 -9.778 4.464 1.00 0.00 C ATOM 802 C GLY A 60 3.883 -11.018 4.848 1.00 0.00 C ATOM 803 O GLY A 60 5.094 -10.971 5.069 1.00 0.00 O ATOM 0 H GLY A 60 4.545 -8.557 5.367 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.217 -9.699 5.097 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.749 -9.877 3.437 1.00 0.00 H new ATOM 807 N PRO A 61 3.185 -12.160 4.933 1.00 0.00 N ATOM 808 CA PRO A 61 3.801 -13.440 5.293 1.00 0.00 C ATOM 809 C PRO A 61 4.721 -13.970 4.199 1.00 0.00 C ATOM 810 O PRO A 61 5.772 -14.544 4.482 1.00 0.00 O ATOM 811 CB PRO A 61 2.601 -14.372 5.480 1.00 0.00 C ATOM 812 CG PRO A 61 1.526 -13.777 4.638 1.00 0.00 C ATOM 813 CD PRO A 61 1.740 -12.289 4.682 1.00 0.00 C ATOM 0 HA PRO A 61 4.432 -13.353 6.177 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.836 -15.388 5.163 1.00 0.00 H new ATOM 0 HB3 PRO A 61 2.300 -14.426 6.526 1.00 0.00 H new ATOM 0 HG2 PRO A 61 1.581 -14.149 3.615 1.00 0.00 H new ATOM 0 HG3 PRO A 61 0.540 -14.041 5.020 1.00 0.00 H new ATOM 0 HD2 PRO A 61 1.451 -11.813 3.745 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.152 -11.821 5.471 1.00 0.00 H new ATOM 821 N SER A 62 4.319 -13.772 2.947 1.00 0.00 N ATOM 822 CA SER A 62 5.107 -14.233 1.810 1.00 0.00 C ATOM 823 C SER A 62 5.620 -13.052 0.990 1.00 0.00 C ATOM 824 O SER A 62 4.992 -11.994 0.943 1.00 0.00 O ATOM 825 CB SER A 62 4.270 -15.158 0.924 1.00 0.00 C ATOM 826 OG SER A 62 4.396 -16.508 1.334 1.00 0.00 O ATOM 0 H SER A 62 3.453 -13.296 2.695 1.00 0.00 H new ATOM 0 HA SER A 62 5.964 -14.786 2.194 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.223 -14.858 0.967 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.588 -15.059 -0.114 1.00 0.00 H new ATOM 0 HG SER A 62 3.850 -17.079 0.753 1.00 0.00 H new ATOM 832 N LYS A 63 6.766 -13.241 0.346 1.00 0.00 N ATOM 833 CA LYS A 63 7.365 -12.195 -0.474 1.00 0.00 C ATOM 834 C LYS A 63 6.672 -12.101 -1.829 1.00 0.00 C ATOM 835 O LYS A 63 6.388 -13.117 -2.464 1.00 0.00 O ATOM 836 CB LYS A 63 8.859 -12.465 -0.671 1.00 0.00 C ATOM 837 CG LYS A 63 9.548 -11.448 -1.564 1.00 0.00 C ATOM 838 CD LYS A 63 9.872 -10.171 -0.807 1.00 0.00 C ATOM 839 CE LYS A 63 11.093 -10.344 0.083 1.00 0.00 C ATOM 840 NZ LYS A 63 11.578 -9.042 0.619 1.00 0.00 N ATOM 0 H LYS A 63 7.299 -14.110 0.376 1.00 0.00 H new ATOM 0 HA LYS A 63 7.239 -11.245 0.045 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.350 -12.473 0.302 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.987 -13.459 -1.100 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.466 -11.877 -1.965 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.907 -11.215 -2.414 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.049 -9.362 -1.516 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.016 -9.880 -0.199 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.847 -11.009 0.911 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.891 -10.823 -0.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.411 -9.203 1.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.837 -8.416 -0.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.826 -8.596 1.182 1.00 0.00 H new ATOM 854 N VAL A 64 6.403 -10.875 -2.267 1.00 0.00 N ATOM 855 CA VAL A 64 5.745 -10.649 -3.548 1.00 0.00 C ATOM 856 C VAL A 64 6.686 -9.969 -4.537 1.00 0.00 C ATOM 857 O VAL A 64 7.229 -8.900 -4.259 1.00 0.00 O ATOM 858 CB VAL A 64 4.479 -9.786 -3.385 1.00 0.00 C ATOM 859 CG1 VAL A 64 3.509 -10.440 -2.413 1.00 0.00 C ATOM 860 CG2 VAL A 64 4.847 -8.384 -2.921 1.00 0.00 C ATOM 0 H VAL A 64 6.631 -10.024 -1.754 1.00 0.00 H new ATOM 0 HA VAL A 64 5.461 -11.628 -3.935 1.00 0.00 H new ATOM 0 HB VAL A 64 3.987 -9.706 -4.354 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.621 -9.816 -2.310 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.222 -11.421 -2.791 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.988 -10.552 -1.440 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.941 -7.788 -2.811 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.362 -8.442 -1.962 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.501 -7.917 -3.657 1.00 0.00 H new ATOM 870 N LYS A 65 6.874 -10.597 -5.693 1.00 0.00 N ATOM 871 CA LYS A 65 7.748 -10.053 -6.725 1.00 0.00 C ATOM 872 C LYS A 65 7.163 -8.773 -7.315 1.00 0.00 C ATOM 873 O LYS A 65 6.669 -8.767 -8.441 1.00 0.00 O ATOM 874 CB LYS A 65 7.965 -11.085 -7.834 1.00 0.00 C ATOM 875 CG LYS A 65 8.820 -10.575 -8.981 1.00 0.00 C ATOM 876 CD LYS A 65 9.308 -11.713 -9.862 1.00 0.00 C ATOM 877 CE LYS A 65 9.879 -11.196 -11.174 1.00 0.00 C ATOM 878 NZ LYS A 65 8.823 -10.615 -12.049 1.00 0.00 N ATOM 0 H LYS A 65 6.433 -11.483 -5.938 1.00 0.00 H new ATOM 0 HA LYS A 65 8.707 -9.815 -6.265 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.435 -11.971 -7.407 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.996 -11.395 -8.224 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.243 -9.871 -9.581 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.675 -10.029 -8.583 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.070 -12.284 -9.332 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.483 -12.396 -10.067 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.636 -10.439 -10.967 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.378 -12.011 -11.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.074 -10.771 -13.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.912 -11.073 -11.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.745 -9.594 -11.868 1.00 0.00 H new ATOM 892 N MET A 66 7.225 -7.691 -6.546 1.00 0.00 N ATOM 893 CA MET A 66 6.704 -6.405 -6.994 1.00 0.00 C ATOM 894 C MET A 66 7.503 -5.879 -8.182 1.00 0.00 C ATOM 895 O MET A 66 8.675 -6.214 -8.351 1.00 0.00 O ATOM 896 CB MET A 66 6.740 -5.389 -5.850 1.00 0.00 C ATOM 897 CG MET A 66 5.760 -4.241 -6.027 1.00 0.00 C ATOM 898 SD MET A 66 6.477 -2.847 -6.918 1.00 0.00 S ATOM 899 CE MET A 66 7.582 -2.183 -5.675 1.00 0.00 C ATOM 0 H MET A 66 7.631 -7.679 -5.610 1.00 0.00 H new ATOM 0 HA MET A 66 5.671 -6.550 -7.309 1.00 0.00 H new ATOM 0 HB2 MET A 66 6.522 -5.901 -4.913 1.00 0.00 H new ATOM 0 HB3 MET A 66 7.749 -4.985 -5.765 1.00 0.00 H new ATOM 0 HG2 MET A 66 4.882 -4.598 -6.565 1.00 0.00 H new ATOM 0 HG3 MET A 66 5.419 -3.905 -5.048 1.00 0.00 H new ATOM 0 HE1 MET A 66 7.825 -1.149 -5.919 1.00 0.00 H new ATOM 0 HE2 MET A 66 7.097 -2.221 -4.699 1.00 0.00 H new ATOM 0 HE3 MET A 66 8.497 -2.774 -5.649 1.00 0.00 H new ATOM 909 N ASP A 67 6.862 -5.053 -9.001 1.00 0.00 N ATOM 910 CA ASP A 67 7.513 -4.480 -10.173 1.00 0.00 C ATOM 911 C ASP A 67 7.127 -3.014 -10.347 1.00 0.00 C ATOM 912 O ASP A 67 5.962 -2.647 -10.196 1.00 0.00 O ATOM 913 CB ASP A 67 7.140 -5.270 -11.429 1.00 0.00 C ATOM 914 CG ASP A 67 7.347 -6.762 -11.255 1.00 0.00 C ATOM 915 OD1 ASP A 67 6.413 -7.438 -10.775 1.00 0.00 O ATOM 916 OD2 ASP A 67 8.442 -7.254 -11.600 1.00 0.00 O ATOM 0 H ASP A 67 5.892 -4.765 -8.875 1.00 0.00 H new ATOM 0 HA ASP A 67 8.591 -4.539 -10.023 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.097 -5.077 -11.680 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.740 -4.918 -12.268 1.00 0.00 H new ATOM 921 N CYS A 68 8.113 -2.182 -10.665 1.00 0.00 N ATOM 922 CA CYS A 68 7.877 -0.755 -10.857 1.00 0.00 C ATOM 923 C CYS A 68 7.537 -0.452 -12.313 1.00 0.00 C ATOM 924 O CYS A 68 8.137 -1.013 -13.229 1.00 0.00 O ATOM 925 CB CYS A 68 9.106 0.048 -10.430 1.00 0.00 C ATOM 926 SG CYS A 68 9.499 -0.085 -8.670 1.00 0.00 S ATOM 0 H CYS A 68 9.083 -2.471 -10.795 1.00 0.00 H new ATOM 0 HA CYS A 68 7.029 -0.465 -10.237 1.00 0.00 H new ATOM 0 HB2 CYS A 68 9.966 -0.288 -11.010 1.00 0.00 H new ATOM 0 HB3 CYS A 68 8.945 1.097 -10.677 1.00 0.00 H new ATOM 0 HG CYS A 68 10.555 0.626 -8.406 1.00 0.00 H new ATOM 932 N GLN A 69 6.571 0.437 -12.516 1.00 0.00 N ATOM 933 CA GLN A 69 6.149 0.812 -13.861 1.00 0.00 C ATOM 934 C GLN A 69 5.978 2.323 -13.976 1.00 0.00 C ATOM 935 O GLN A 69 5.231 2.932 -13.210 1.00 0.00 O ATOM 936 CB GLN A 69 4.840 0.110 -14.223 1.00 0.00 C ATOM 937 CG GLN A 69 4.310 0.481 -15.599 1.00 0.00 C ATOM 938 CD GLN A 69 5.076 -0.193 -16.720 1.00 0.00 C ATOM 939 OE1 GLN A 69 5.066 -1.418 -16.846 1.00 0.00 O ATOM 940 NE2 GLN A 69 5.747 0.606 -17.542 1.00 0.00 N ATOM 0 H GLN A 69 6.066 0.911 -11.767 1.00 0.00 H new ATOM 0 HA GLN A 69 6.926 0.498 -14.558 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.992 -0.968 -14.180 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.087 0.356 -13.474 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.258 0.205 -15.666 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.364 1.562 -15.726 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.727 1.616 -17.400 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.282 0.210 -18.315 1.00 0.00 H new ATOM 949 N GLU A 70 6.676 2.922 -14.936 1.00 0.00 N ATOM 950 CA GLU A 70 6.601 4.362 -15.149 1.00 0.00 C ATOM 951 C GLU A 70 5.354 4.730 -15.949 1.00 0.00 C ATOM 952 O GLU A 70 5.058 4.119 -16.976 1.00 0.00 O ATOM 953 CB GLU A 70 7.852 4.859 -15.877 1.00 0.00 C ATOM 954 CG GLU A 70 8.115 6.343 -15.692 1.00 0.00 C ATOM 955 CD GLU A 70 9.220 6.857 -16.595 1.00 0.00 C ATOM 956 OE1 GLU A 70 8.915 7.260 -17.737 1.00 0.00 O ATOM 957 OE2 GLU A 70 10.390 6.856 -16.159 1.00 0.00 O ATOM 0 H GLU A 70 7.299 2.432 -15.578 1.00 0.00 H new ATOM 0 HA GLU A 70 6.542 4.844 -14.173 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.716 4.298 -15.521 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.751 4.647 -16.941 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.199 6.898 -15.893 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.382 6.534 -14.653 1.00 0.00 H new ATOM 964 N THR A 71 4.625 5.733 -15.469 1.00 0.00 N ATOM 965 CA THR A 71 3.410 6.182 -16.137 1.00 0.00 C ATOM 966 C THR A 71 3.373 7.702 -16.249 1.00 0.00 C ATOM 967 O THR A 71 3.954 8.422 -15.437 1.00 0.00 O ATOM 968 CB THR A 71 2.150 5.703 -15.391 1.00 0.00 C ATOM 969 OG1 THR A 71 2.181 6.157 -14.033 1.00 0.00 O ATOM 970 CG2 THR A 71 2.047 4.186 -15.421 1.00 0.00 C ATOM 0 H THR A 71 4.855 6.250 -14.620 1.00 0.00 H new ATOM 0 HA THR A 71 3.420 5.747 -17.137 1.00 0.00 H new ATOM 0 HB THR A 71 1.277 6.121 -15.893 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.376 5.849 -13.567 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.150 3.872 -14.888 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.993 3.845 -16.455 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.924 3.752 -14.941 1.00 0.00 H new ATOM 978 N PRO A 72 2.674 8.204 -17.278 1.00 0.00 N ATOM 979 CA PRO A 72 2.544 9.644 -17.519 1.00 0.00 C ATOM 980 C PRO A 72 1.679 10.332 -16.469 1.00 0.00 C ATOM 981 O PRO A 72 1.555 11.556 -16.460 1.00 0.00 O ATOM 982 CB PRO A 72 1.874 9.714 -18.894 1.00 0.00 C ATOM 983 CG PRO A 72 1.136 8.426 -19.021 1.00 0.00 C ATOM 984 CD PRO A 72 1.956 7.404 -18.284 1.00 0.00 C ATOM 0 HA PRO A 72 3.506 10.154 -17.472 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.198 10.566 -18.962 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.611 9.828 -19.689 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.136 8.505 -18.594 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.014 8.148 -20.068 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.328 6.644 -17.819 1.00 0.00 H new ATOM 0 HD3 PRO A 72 2.645 6.885 -18.951 1.00 0.00 H new ATOM 992 N GLU A 73 1.083 9.536 -15.586 1.00 0.00 N ATOM 993 CA GLU A 73 0.229 10.071 -14.532 1.00 0.00 C ATOM 994 C GLU A 73 0.909 9.955 -13.170 1.00 0.00 C ATOM 995 O GLU A 73 0.545 10.649 -12.222 1.00 0.00 O ATOM 996 CB GLU A 73 -1.112 9.335 -14.509 1.00 0.00 C ATOM 997 CG GLU A 73 -2.130 9.895 -15.488 1.00 0.00 C ATOM 998 CD GLU A 73 -1.909 9.402 -16.905 1.00 0.00 C ATOM 999 OE1 GLU A 73 -2.214 8.222 -17.177 1.00 0.00 O ATOM 1000 OE2 GLU A 73 -1.432 10.197 -17.742 1.00 0.00 O ATOM 0 H GLU A 73 1.176 8.520 -15.580 1.00 0.00 H new ATOM 0 HA GLU A 73 0.053 11.126 -14.742 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.943 8.282 -14.736 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.525 9.382 -13.502 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.132 9.617 -15.163 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.081 10.984 -15.474 1.00 0.00 H new ATOM 1007 N GLY A 74 1.897 9.070 -13.082 1.00 0.00 N ATOM 1008 CA GLY A 74 2.612 8.878 -11.833 1.00 0.00 C ATOM 1009 C GLY A 74 3.419 7.595 -11.819 1.00 0.00 C ATOM 1010 O GLY A 74 4.494 7.523 -12.416 1.00 0.00 O ATOM 0 H GLY A 74 2.215 8.483 -13.853 1.00 0.00 H new ATOM 0 HA2 GLY A 74 3.278 9.724 -11.665 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.899 8.865 -11.008 1.00 0.00 H new ATOM 1014 N TYR A 75 2.903 6.581 -11.134 1.00 0.00 N ATOM 1015 CA TYR A 75 3.586 5.296 -11.041 1.00 0.00 C ATOM 1016 C TYR A 75 2.606 4.182 -10.685 1.00 0.00 C ATOM 1017 O TYR A 75 1.979 4.205 -9.626 1.00 0.00 O ATOM 1018 CB TYR A 75 4.701 5.361 -9.996 1.00 0.00 C ATOM 1019 CG TYR A 75 5.571 6.593 -10.115 1.00 0.00 C ATOM 1020 CD1 TYR A 75 5.192 7.794 -9.528 1.00 0.00 C ATOM 1021 CD2 TYR A 75 6.771 6.555 -10.813 1.00 0.00 C ATOM 1022 CE1 TYR A 75 5.982 8.922 -9.635 1.00 0.00 C ATOM 1023 CE2 TYR A 75 7.569 7.677 -10.924 1.00 0.00 C ATOM 1024 CZ TYR A 75 7.170 8.858 -10.334 1.00 0.00 C ATOM 1025 OH TYR A 75 7.961 9.979 -10.441 1.00 0.00 O ATOM 0 H TYR A 75 2.014 6.624 -10.635 1.00 0.00 H new ATOM 0 HA TYR A 75 4.022 5.075 -12.015 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.257 5.335 -9.001 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.327 4.474 -10.089 1.00 0.00 H new ATOM 0 HD1 TYR A 75 4.264 7.846 -8.979 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.086 5.632 -11.277 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.672 9.848 -9.174 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.500 7.630 -11.470 1.00 0.00 H new ATOM 0 HH TYR A 75 8.762 9.765 -10.963 1.00 0.00 H new ATOM 1035 N LYS A 76 2.479 3.207 -11.578 1.00 0.00 N ATOM 1036 CA LYS A 76 1.577 2.082 -11.361 1.00 0.00 C ATOM 1037 C LYS A 76 2.272 0.971 -10.580 1.00 0.00 C ATOM 1038 O LYS A 76 3.285 0.429 -11.021 1.00 0.00 O ATOM 1039 CB LYS A 76 1.072 1.540 -12.700 1.00 0.00 C ATOM 1040 CG LYS A 76 0.143 0.346 -12.561 1.00 0.00 C ATOM 1041 CD LYS A 76 0.211 -0.557 -13.781 1.00 0.00 C ATOM 1042 CE LYS A 76 -0.790 -0.134 -14.845 1.00 0.00 C ATOM 1043 NZ LYS A 76 -2.120 -0.774 -14.641 1.00 0.00 N ATOM 0 H LYS A 76 2.990 3.173 -12.460 1.00 0.00 H new ATOM 0 HA LYS A 76 0.728 2.437 -10.777 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.550 2.336 -13.231 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.927 1.255 -13.313 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.411 -0.223 -11.671 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.880 0.694 -12.421 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.218 -0.532 -14.197 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.014 -1.587 -13.484 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.902 0.950 -14.828 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.407 -0.399 -15.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.726 -0.584 -15.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.998 -1.801 -14.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.565 -0.384 -13.786 1.00 0.00 H new ATOM 1057 N VAL A 77 1.719 0.635 -9.418 1.00 0.00 N ATOM 1058 CA VAL A 77 2.284 -0.413 -8.578 1.00 0.00 C ATOM 1059 C VAL A 77 1.406 -1.660 -8.589 1.00 0.00 C ATOM 1060 O VAL A 77 0.203 -1.586 -8.343 1.00 0.00 O ATOM 1061 CB VAL A 77 2.458 0.065 -7.124 1.00 0.00 C ATOM 1062 CG1 VAL A 77 2.954 -1.071 -6.243 1.00 0.00 C ATOM 1063 CG2 VAL A 77 3.410 1.251 -7.065 1.00 0.00 C ATOM 0 H VAL A 77 0.880 1.074 -9.038 1.00 0.00 H new ATOM 0 HA VAL A 77 3.262 -0.657 -8.992 1.00 0.00 H new ATOM 0 HB VAL A 77 1.487 0.387 -6.747 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.071 -0.714 -5.220 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.233 -1.888 -6.262 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.915 -1.427 -6.615 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.522 1.577 -6.031 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.382 0.957 -7.460 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.008 2.070 -7.662 1.00 0.00 H new ATOM 1073 N MET A 78 2.017 -2.805 -8.876 1.00 0.00 N ATOM 1074 CA MET A 78 1.291 -4.069 -8.917 1.00 0.00 C ATOM 1075 C MET A 78 1.985 -5.123 -8.060 1.00 0.00 C ATOM 1076 O MET A 78 3.209 -5.123 -7.929 1.00 0.00 O ATOM 1077 CB MET A 78 1.171 -4.565 -10.359 1.00 0.00 C ATOM 1078 CG MET A 78 0.686 -3.501 -11.330 1.00 0.00 C ATOM 1079 SD MET A 78 2.031 -2.504 -11.997 1.00 0.00 S ATOM 1080 CE MET A 78 3.055 -3.771 -12.742 1.00 0.00 C ATOM 0 H MET A 78 3.013 -2.883 -9.083 1.00 0.00 H new ATOM 0 HA MET A 78 0.292 -3.900 -8.514 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.143 -4.932 -10.690 1.00 0.00 H new ATOM 0 HB3 MET A 78 0.484 -5.411 -10.387 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.153 -3.980 -12.151 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.027 -2.850 -10.823 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.570 -3.359 -13.610 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.789 -4.119 -12.015 1.00 0.00 H new ATOM 0 HE3 MET A 78 2.429 -4.607 -13.055 1.00 0.00 H new ATOM 1090 N TYR A 79 1.196 -6.019 -7.479 1.00 0.00 N ATOM 1091 CA TYR A 79 1.734 -7.077 -6.632 1.00 0.00 C ATOM 1092 C TYR A 79 0.876 -8.335 -6.719 1.00 0.00 C ATOM 1093 O TYR A 79 -0.321 -8.306 -6.431 1.00 0.00 O ATOM 1094 CB TYR A 79 1.819 -6.603 -5.180 1.00 0.00 C ATOM 1095 CG TYR A 79 0.469 -6.392 -4.532 1.00 0.00 C ATOM 1096 CD1 TYR A 79 -0.196 -5.177 -4.646 1.00 0.00 C ATOM 1097 CD2 TYR A 79 -0.142 -7.408 -3.808 1.00 0.00 C ATOM 1098 CE1 TYR A 79 -1.429 -4.980 -4.056 1.00 0.00 C ATOM 1099 CE2 TYR A 79 -1.376 -7.219 -3.215 1.00 0.00 C ATOM 1100 CZ TYR A 79 -2.015 -6.004 -3.341 1.00 0.00 C ATOM 1101 OH TYR A 79 -3.244 -5.811 -2.752 1.00 0.00 O ATOM 0 H TYR A 79 0.181 -6.034 -7.579 1.00 0.00 H new ATOM 0 HA TYR A 79 2.736 -7.318 -6.988 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.381 -7.335 -4.600 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.380 -5.669 -5.144 1.00 0.00 H new ATOM 0 HD1 TYR A 79 0.259 -4.373 -5.206 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.355 -8.361 -3.707 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -1.932 -4.029 -4.154 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.837 -8.019 -2.656 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.642 -4.981 -3.089 1.00 0.00 H new ATOM 1111 N THR A 80 1.496 -9.440 -7.120 1.00 0.00 N ATOM 1112 CA THR A 80 0.791 -10.710 -7.246 1.00 0.00 C ATOM 1113 C THR A 80 1.191 -11.674 -6.136 1.00 0.00 C ATOM 1114 O THR A 80 2.192 -12.385 -6.229 1.00 0.00 O ATOM 1115 CB THR A 80 1.066 -11.372 -8.610 1.00 0.00 C ATOM 1116 OG1 THR A 80 0.912 -10.412 -9.661 1.00 0.00 O ATOM 1117 CG2 THR A 80 0.124 -12.543 -8.842 1.00 0.00 C ATOM 0 H THR A 80 2.486 -9.481 -7.363 1.00 0.00 H new ATOM 0 HA THR A 80 -0.273 -10.490 -7.165 1.00 0.00 H new ATOM 0 HB THR A 80 2.090 -11.745 -8.608 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.090 -10.841 -10.524 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.337 -12.995 -9.811 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.266 -13.285 -8.057 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.907 -12.190 -8.825 1.00 0.00 H new ATOM 1125 N PRO A 81 0.393 -11.701 -5.058 1.00 0.00 N ATOM 1126 CA PRO A 81 0.643 -12.576 -3.909 1.00 0.00 C ATOM 1127 C PRO A 81 0.412 -14.047 -4.239 1.00 0.00 C ATOM 1128 O PRO A 81 -0.557 -14.397 -4.911 1.00 0.00 O ATOM 1129 CB PRO A 81 -0.372 -12.095 -2.869 1.00 0.00 C ATOM 1130 CG PRO A 81 -1.471 -11.484 -3.667 1.00 0.00 C ATOM 1131 CD PRO A 81 -0.817 -10.880 -4.879 1.00 0.00 C ATOM 0 HA PRO A 81 1.678 -12.520 -3.572 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -0.737 -12.922 -2.260 1.00 0.00 H new ATOM 0 HB3 PRO A 81 0.073 -11.370 -2.188 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.208 -12.234 -3.954 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.998 -10.725 -3.089 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.468 -10.927 -5.752 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -0.571 -9.830 -4.721 1.00 0.00 H new ATOM 1139 N MET A 82 1.309 -14.903 -3.760 1.00 0.00 N ATOM 1140 CA MET A 82 1.201 -16.337 -4.004 1.00 0.00 C ATOM 1141 C MET A 82 0.440 -17.024 -2.874 1.00 0.00 C ATOM 1142 O MET A 82 -0.213 -18.046 -3.085 1.00 0.00 O ATOM 1143 CB MET A 82 2.592 -16.958 -4.149 1.00 0.00 C ATOM 1144 CG MET A 82 2.578 -18.339 -4.783 1.00 0.00 C ATOM 1145 SD MET A 82 4.203 -18.848 -5.376 1.00 0.00 S ATOM 1146 CE MET A 82 3.822 -19.287 -7.070 1.00 0.00 C ATOM 0 H MET A 82 2.117 -14.629 -3.202 1.00 0.00 H new ATOM 0 HA MET A 82 0.648 -16.482 -4.932 1.00 0.00 H new ATOM 0 HB2 MET A 82 3.215 -16.297 -4.752 1.00 0.00 H new ATOM 0 HB3 MET A 82 3.056 -17.024 -3.165 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.218 -19.065 -4.054 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.874 -18.345 -5.615 1.00 0.00 H new ATOM 0 HE1 MET A 82 4.729 -19.623 -7.572 1.00 0.00 H new ATOM 0 HE2 MET A 82 3.083 -20.088 -7.081 1.00 0.00 H new ATOM 0 HE3 MET A 82 3.421 -18.417 -7.590 1.00 0.00 H new ATOM 1156 N ALA A 83 0.529 -16.457 -1.676 1.00 0.00 N ATOM 1157 CA ALA A 83 -0.153 -17.014 -0.514 1.00 0.00 C ATOM 1158 C ALA A 83 -1.045 -15.972 0.151 1.00 0.00 C ATOM 1159 O ALA A 83 -0.707 -14.791 0.233 1.00 0.00 O ATOM 1160 CB ALA A 83 0.860 -17.557 0.482 1.00 0.00 C ATOM 0 H ALA A 83 1.067 -15.612 -1.484 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.787 -17.833 -0.854 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.337 -17.970 1.345 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.453 -18.340 0.008 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.518 -16.751 0.808 1.00 0.00 H new ATOM 1166 N PRO A 84 -2.213 -16.416 0.639 1.00 0.00 N ATOM 1167 CA PRO A 84 -3.178 -15.536 1.305 1.00 0.00 C ATOM 1168 C PRO A 84 -2.682 -15.056 2.665 1.00 0.00 C ATOM 1169 O PRO A 84 -1.583 -15.405 3.094 1.00 0.00 O ATOM 1170 CB PRO A 84 -4.413 -16.426 1.471 1.00 0.00 C ATOM 1171 CG PRO A 84 -3.879 -17.816 1.486 1.00 0.00 C ATOM 1172 CD PRO A 84 -2.682 -17.810 0.577 1.00 0.00 C ATOM 0 HA PRO A 84 -3.364 -14.627 0.733 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -4.945 -16.196 2.394 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.118 -16.282 0.652 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.600 -18.116 2.496 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -4.629 -18.526 1.138 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -1.916 -18.507 0.917 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -2.948 -18.100 -0.440 1.00 0.00 H new ATOM 1180 N GLY A 85 -3.500 -14.253 3.339 1.00 0.00 N ATOM 1181 CA GLY A 85 -3.126 -13.738 4.643 1.00 0.00 C ATOM 1182 C GLY A 85 -3.434 -12.261 4.793 1.00 0.00 C ATOM 1183 O GLY A 85 -4.505 -11.801 4.401 1.00 0.00 O ATOM 0 H GLY A 85 -4.415 -13.950 3.005 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.654 -14.296 5.416 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.060 -13.902 4.803 1.00 0.00 H new ATOM 1187 N ASN A 86 -2.492 -11.517 5.365 1.00 0.00 N ATOM 1188 CA ASN A 86 -2.669 -10.084 5.569 1.00 0.00 C ATOM 1189 C ASN A 86 -1.427 -9.315 5.130 1.00 0.00 C ATOM 1190 O ASN A 86 -0.339 -9.510 5.672 1.00 0.00 O ATOM 1191 CB ASN A 86 -2.972 -9.791 7.039 1.00 0.00 C ATOM 1192 CG ASN A 86 -2.099 -10.597 7.981 1.00 0.00 C ATOM 1193 OD1 ASN A 86 -0.950 -10.909 7.667 1.00 0.00 O ATOM 1194 ND2 ASN A 86 -2.641 -10.939 9.144 1.00 0.00 N ATOM 0 H ASN A 86 -1.599 -11.883 5.695 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.511 -9.756 4.960 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.826 -8.728 7.232 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.020 -10.011 7.242 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.101 -11.482 9.818 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -3.597 -10.659 9.363 1.00 0.00 H new ATOM 1201 N TYR A 87 -1.597 -8.440 4.145 1.00 0.00 N ATOM 1202 CA TYR A 87 -0.490 -7.642 3.632 1.00 0.00 C ATOM 1203 C TYR A 87 -0.692 -6.163 3.948 1.00 0.00 C ATOM 1204 O TYR A 87 -1.793 -5.735 4.298 1.00 0.00 O ATOM 1205 CB TYR A 87 -0.350 -7.838 2.122 1.00 0.00 C ATOM 1206 CG TYR A 87 0.155 -9.209 1.733 1.00 0.00 C ATOM 1207 CD1 TYR A 87 -0.578 -10.351 2.034 1.00 0.00 C ATOM 1208 CD2 TYR A 87 1.364 -9.363 1.066 1.00 0.00 C ATOM 1209 CE1 TYR A 87 -0.120 -11.606 1.682 1.00 0.00 C ATOM 1210 CE2 TYR A 87 1.828 -10.614 0.708 1.00 0.00 C ATOM 1211 CZ TYR A 87 1.083 -11.732 1.019 1.00 0.00 C ATOM 1212 OH TYR A 87 1.542 -12.980 0.665 1.00 0.00 O ATOM 0 H TYR A 87 -2.491 -8.265 3.686 1.00 0.00 H new ATOM 0 HA TYR A 87 0.424 -7.978 4.122 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -1.319 -7.670 1.651 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.331 -7.084 1.728 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -1.521 -10.256 2.552 1.00 0.00 H new ATOM 0 HD2 TYR A 87 1.951 -8.490 0.823 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.701 -12.484 1.925 1.00 0.00 H new ATOM 0 HE2 TYR A 87 2.769 -10.716 0.188 1.00 0.00 H new ATOM 0 HH TYR A 87 0.780 -13.579 0.518 1.00 0.00 H new ATOM 1222 N LEU A 88 0.378 -5.386 3.821 1.00 0.00 N ATOM 1223 CA LEU A 88 0.321 -3.954 4.092 1.00 0.00 C ATOM 1224 C LEU A 88 1.039 -3.164 3.002 1.00 0.00 C ATOM 1225 O LEU A 88 1.993 -3.653 2.395 1.00 0.00 O ATOM 1226 CB LEU A 88 0.943 -3.647 5.455 1.00 0.00 C ATOM 1227 CG LEU A 88 0.372 -2.438 6.197 1.00 0.00 C ATOM 1228 CD1 LEU A 88 0.514 -2.619 7.700 1.00 0.00 C ATOM 1229 CD2 LEU A 88 1.062 -1.160 5.745 1.00 0.00 C ATOM 0 H LEU A 88 1.296 -5.724 3.532 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.727 -3.653 4.102 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.828 -4.525 6.090 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.013 -3.491 5.317 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.689 -2.358 5.959 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.102 -1.749 8.212 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.027 -3.513 8.012 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.568 -2.725 7.956 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.643 -0.310 6.284 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.130 -1.230 5.952 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.909 -1.023 4.675 1.00 0.00 H new ATOM 1241 N ILE A 89 0.577 -1.942 2.762 1.00 0.00 N ATOM 1242 CA ILE A 89 1.178 -1.085 1.748 1.00 0.00 C ATOM 1243 C ILE A 89 1.442 0.313 2.297 1.00 0.00 C ATOM 1244 O ILE A 89 0.511 1.070 2.571 1.00 0.00 O ATOM 1245 CB ILE A 89 0.281 -0.973 0.501 1.00 0.00 C ATOM 1246 CG1 ILE A 89 -0.147 -2.364 0.028 1.00 0.00 C ATOM 1247 CG2 ILE A 89 1.008 -0.230 -0.610 1.00 0.00 C ATOM 1248 CD1 ILE A 89 -1.298 -2.340 -0.953 1.00 0.00 C ATOM 0 H ILE A 89 -0.211 -1.523 3.256 1.00 0.00 H new ATOM 0 HA ILE A 89 2.124 -1.547 1.465 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.613 -0.408 0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.706 -2.859 -0.436 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.430 -2.962 0.894 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.361 -0.159 -1.484 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.267 0.772 -0.268 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.917 -0.770 -0.874 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.548 -3.360 -1.245 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.165 -1.874 -0.485 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.011 -1.769 -1.836 1.00 0.00 H new ATOM 1260 N SER A 90 2.718 0.650 2.453 1.00 0.00 N ATOM 1261 CA SER A 90 3.106 1.957 2.972 1.00 0.00 C ATOM 1262 C SER A 90 3.520 2.890 1.838 1.00 0.00 C ATOM 1263 O SER A 90 4.304 2.517 0.966 1.00 0.00 O ATOM 1264 CB SER A 90 4.254 1.812 3.973 1.00 0.00 C ATOM 1265 OG SER A 90 3.767 1.493 5.265 1.00 0.00 O ATOM 0 H SER A 90 3.501 0.036 2.228 1.00 0.00 H new ATOM 0 HA SER A 90 2.244 2.390 3.479 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.938 1.033 3.636 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.824 2.740 4.015 1.00 0.00 H new ATOM 0 HG SER A 90 4.520 1.404 5.886 1.00 0.00 H new ATOM 1271 N VAL A 91 2.986 4.107 1.857 1.00 0.00 N ATOM 1272 CA VAL A 91 3.299 5.096 0.832 1.00 0.00 C ATOM 1273 C VAL A 91 3.772 6.404 1.456 1.00 0.00 C ATOM 1274 O VAL A 91 2.983 7.146 2.042 1.00 0.00 O ATOM 1275 CB VAL A 91 2.080 5.379 -0.066 1.00 0.00 C ATOM 1276 CG1 VAL A 91 2.397 6.482 -1.065 1.00 0.00 C ATOM 1277 CG2 VAL A 91 1.640 4.111 -0.782 1.00 0.00 C ATOM 0 H VAL A 91 2.334 4.432 2.571 1.00 0.00 H new ATOM 0 HA VAL A 91 4.100 4.677 0.223 1.00 0.00 H new ATOM 0 HB VAL A 91 1.257 5.717 0.564 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.524 6.668 -1.691 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.660 7.394 -0.529 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.234 6.175 -1.692 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.778 4.329 -1.412 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.457 3.741 -1.401 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.369 3.353 -0.047 1.00 0.00 H new ATOM 1287 N LYS A 92 5.064 6.682 1.326 1.00 0.00 N ATOM 1288 CA LYS A 92 5.644 7.902 1.876 1.00 0.00 C ATOM 1289 C LYS A 92 6.003 8.882 0.764 1.00 0.00 C ATOM 1290 O LYS A 92 6.296 8.479 -0.362 1.00 0.00 O ATOM 1291 CB LYS A 92 6.889 7.572 2.702 1.00 0.00 C ATOM 1292 CG LYS A 92 6.579 7.136 4.123 1.00 0.00 C ATOM 1293 CD LYS A 92 7.819 7.172 5.001 1.00 0.00 C ATOM 1294 CE LYS A 92 8.787 6.055 4.642 1.00 0.00 C ATOM 1295 NZ LYS A 92 9.682 6.438 3.515 1.00 0.00 N ATOM 0 H LYS A 92 5.731 6.079 0.844 1.00 0.00 H new ATOM 0 HA LYS A 92 4.901 8.369 2.522 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.447 6.781 2.202 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.537 8.448 2.733 1.00 0.00 H new ATOM 0 HG2 LYS A 92 5.814 7.787 4.546 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.168 6.126 4.113 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.316 8.136 4.891 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.528 7.081 6.048 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.389 5.802 5.514 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.226 5.161 4.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 9.582 5.749 2.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.421 7.384 3.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.669 6.449 3.844 1.00 0.00 H new ATOM 1309 N TYR A 93 5.980 10.170 1.087 1.00 0.00 N ATOM 1310 CA TYR A 93 6.303 11.208 0.115 1.00 0.00 C ATOM 1311 C TYR A 93 6.829 12.460 0.809 1.00 0.00 C ATOM 1312 O TYR A 93 6.099 13.135 1.534 1.00 0.00 O ATOM 1313 CB TYR A 93 5.069 11.555 -0.720 1.00 0.00 C ATOM 1314 CG TYR A 93 5.299 12.684 -1.699 1.00 0.00 C ATOM 1315 CD1 TYR A 93 5.128 14.008 -1.315 1.00 0.00 C ATOM 1316 CD2 TYR A 93 5.687 12.427 -3.008 1.00 0.00 C ATOM 1317 CE1 TYR A 93 5.336 15.043 -2.207 1.00 0.00 C ATOM 1318 CE2 TYR A 93 5.899 13.455 -3.906 1.00 0.00 C ATOM 1319 CZ TYR A 93 5.721 14.762 -3.501 1.00 0.00 C ATOM 1320 OH TYR A 93 5.931 15.789 -4.391 1.00 0.00 O ATOM 0 H TYR A 93 5.741 10.521 2.015 1.00 0.00 H new ATOM 0 HA TYR A 93 7.083 10.824 -0.542 1.00 0.00 H new ATOM 0 HB2 TYR A 93 4.751 10.669 -1.269 1.00 0.00 H new ATOM 0 HB3 TYR A 93 4.252 11.826 -0.051 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.827 14.232 -0.302 1.00 0.00 H new ATOM 0 HD2 TYR A 93 5.825 11.405 -3.329 1.00 0.00 H new ATOM 0 HE1 TYR A 93 5.198 16.067 -1.892 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.202 13.237 -4.919 1.00 0.00 H new ATOM 0 HH TYR A 93 5.673 15.500 -5.291 1.00 0.00 H new ATOM 1330 N GLY A 94 8.103 12.765 0.581 1.00 0.00 N ATOM 1331 CA GLY A 94 8.707 13.935 1.190 1.00 0.00 C ATOM 1332 C GLY A 94 8.829 13.807 2.696 1.00 0.00 C ATOM 1333 O GLY A 94 8.091 14.448 3.442 1.00 0.00 O ATOM 0 H GLY A 94 8.728 12.222 -0.015 1.00 0.00 H new ATOM 0 HA2 GLY A 94 9.696 14.095 0.761 1.00 0.00 H new ATOM 0 HA3 GLY A 94 8.110 14.815 0.950 1.00 0.00 H new ATOM 1337 N GLY A 95 9.764 12.974 3.144 1.00 0.00 N ATOM 1338 CA GLY A 95 9.962 12.778 4.568 1.00 0.00 C ATOM 1339 C GLY A 95 9.277 11.527 5.081 1.00 0.00 C ATOM 1340 O GLY A 95 8.566 10.838 4.349 1.00 0.00 O ATOM 0 H GLY A 95 10.387 12.432 2.546 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.030 12.716 4.778 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.581 13.645 5.108 1.00 0.00 H new ATOM 1344 N PRO A 96 9.490 11.216 6.369 1.00 0.00 N ATOM 1345 CA PRO A 96 8.898 10.038 7.007 1.00 0.00 C ATOM 1346 C PRO A 96 7.390 10.173 7.189 1.00 0.00 C ATOM 1347 O PRO A 96 6.739 9.284 7.735 1.00 0.00 O ATOM 1348 CB PRO A 96 9.597 9.982 8.368 1.00 0.00 C ATOM 1349 CG PRO A 96 10.009 11.388 8.639 1.00 0.00 C ATOM 1350 CD PRO A 96 10.327 11.993 7.300 1.00 0.00 C ATOM 0 HA PRO A 96 9.033 9.139 6.406 1.00 0.00 H new ATOM 0 HB2 PRO A 96 8.927 9.609 9.143 1.00 0.00 H new ATOM 0 HB3 PRO A 96 10.458 9.314 8.344 1.00 0.00 H new ATOM 0 HG2 PRO A 96 9.211 11.939 9.136 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.877 11.420 9.298 1.00 0.00 H new ATOM 0 HD2 PRO A 96 10.082 13.055 7.270 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.386 11.903 7.059 1.00 0.00 H new ATOM 1358 N ASN A 97 6.841 11.292 6.726 1.00 0.00 N ATOM 1359 CA ASN A 97 5.409 11.543 6.837 1.00 0.00 C ATOM 1360 C ASN A 97 4.644 10.840 5.719 1.00 0.00 C ATOM 1361 O ASN A 97 4.873 11.100 4.537 1.00 0.00 O ATOM 1362 CB ASN A 97 5.129 13.047 6.794 1.00 0.00 C ATOM 1363 CG ASN A 97 5.720 13.779 7.983 1.00 0.00 C ATOM 1364 OD1 ASN A 97 5.842 13.220 9.073 1.00 0.00 O ATOM 1365 ND2 ASN A 97 6.092 15.038 7.777 1.00 0.00 N ATOM 0 H ASN A 97 7.366 12.039 6.271 1.00 0.00 H new ATOM 0 HA ASN A 97 5.069 11.143 7.792 1.00 0.00 H new ATOM 0 HB2 ASN A 97 5.539 13.464 5.874 1.00 0.00 H new ATOM 0 HB3 ASN A 97 4.052 13.213 6.767 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.497 15.581 8.539 1.00 0.00 H new ATOM 0 HD22 ASN A 97 5.972 15.461 6.857 1.00 0.00 H new ATOM 1372 N HIS A 98 3.735 9.949 6.101 1.00 0.00 N ATOM 1373 CA HIS A 98 2.935 9.209 5.131 1.00 0.00 C ATOM 1374 C HIS A 98 1.856 10.101 4.524 1.00 0.00 C ATOM 1375 O HIS A 98 1.710 11.262 4.905 1.00 0.00 O ATOM 1376 CB HIS A 98 2.293 7.990 5.793 1.00 0.00 C ATOM 1377 CG HIS A 98 1.442 8.329 6.978 1.00 0.00 C ATOM 1378 ND1 HIS A 98 0.592 7.425 7.578 1.00 0.00 N ATOM 1379 CD2 HIS A 98 1.314 9.483 7.674 1.00 0.00 C ATOM 1380 CE1 HIS A 98 -0.023 8.007 8.592 1.00 0.00 C ATOM 1381 NE2 HIS A 98 0.398 9.257 8.672 1.00 0.00 N ATOM 0 H HIS A 98 3.534 9.722 7.075 1.00 0.00 H new ATOM 0 HA HIS A 98 3.596 8.873 4.332 1.00 0.00 H new ATOM 0 HB2 HIS A 98 1.684 7.466 5.057 1.00 0.00 H new ATOM 0 HB3 HIS A 98 3.078 7.301 6.105 1.00 0.00 H new ATOM 0 HD2 HIS A 98 1.835 10.409 7.481 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -0.746 7.541 9.244 1.00 0.00 H new ATOM 0 HE2 HIS A 98 0.092 9.943 9.363 1.00 0.00 H new ATOM 1389 N ILE A 99 1.104 9.549 3.578 1.00 0.00 N ATOM 1390 CA ILE A 99 0.038 10.294 2.919 1.00 0.00 C ATOM 1391 C ILE A 99 -1.319 9.977 3.537 1.00 0.00 C ATOM 1392 O ILE A 99 -1.412 9.207 4.494 1.00 0.00 O ATOM 1393 CB ILE A 99 -0.013 9.988 1.410 1.00 0.00 C ATOM 1394 CG1 ILE A 99 -0.381 8.521 1.178 1.00 0.00 C ATOM 1395 CG2 ILE A 99 1.322 10.315 0.758 1.00 0.00 C ATOM 1396 CD1 ILE A 99 -0.949 8.251 -0.198 1.00 0.00 C ATOM 0 H ILE A 99 1.213 8.589 3.251 1.00 0.00 H new ATOM 0 HA ILE A 99 0.260 11.352 3.060 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.781 10.612 0.953 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.506 7.905 1.323 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -1.109 8.214 1.929 1.00 0.00 H new ATOM 0 HG21 ILE A 99 1.270 10.093 -0.308 1.00 0.00 H new ATOM 0 HG22 ILE A 99 1.546 11.372 0.898 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.107 9.714 1.216 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.187 7.191 -0.292 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.855 8.840 -0.340 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -0.215 8.526 -0.955 1.00 0.00 H new ATOM 1408 N VAL A 100 -2.370 10.573 2.983 1.00 0.00 N ATOM 1409 CA VAL A 100 -3.723 10.351 3.478 1.00 0.00 C ATOM 1410 C VAL A 100 -4.209 8.946 3.139 1.00 0.00 C ATOM 1411 O VAL A 100 -3.898 8.410 2.077 1.00 0.00 O ATOM 1412 CB VAL A 100 -4.710 11.379 2.892 1.00 0.00 C ATOM 1413 CG1 VAL A 100 -6.144 10.900 3.063 1.00 0.00 C ATOM 1414 CG2 VAL A 100 -4.512 12.739 3.545 1.00 0.00 C ATOM 0 H VAL A 100 -2.310 11.213 2.191 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.687 10.468 4.561 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.511 11.481 1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -6.827 11.639 2.643 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.274 9.950 2.545 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -6.359 10.768 4.123 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.217 13.453 3.119 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.683 12.656 4.618 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -3.494 13.084 3.366 1.00 0.00 H new ATOM 1424 N GLY A 101 -4.975 8.355 4.051 1.00 0.00 N ATOM 1425 CA GLY A 101 -5.492 7.017 3.831 1.00 0.00 C ATOM 1426 C GLY A 101 -4.589 5.944 4.406 1.00 0.00 C ATOM 1427 O GLY A 101 -5.062 4.993 5.028 1.00 0.00 O ATOM 0 H GLY A 101 -5.247 8.779 4.938 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.481 6.935 4.281 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.614 6.850 2.761 1.00 0.00 H new ATOM 1431 N SER A 102 -3.285 6.096 4.198 1.00 0.00 N ATOM 1432 CA SER A 102 -2.314 5.129 4.697 1.00 0.00 C ATOM 1433 C SER A 102 -2.174 5.232 6.212 1.00 0.00 C ATOM 1434 O SER A 102 -2.537 6.234 6.829 1.00 0.00 O ATOM 1435 CB SER A 102 -0.954 5.351 4.031 1.00 0.00 C ATOM 1436 OG SER A 102 -0.823 4.559 2.863 1.00 0.00 O ATOM 0 H SER A 102 -2.877 6.879 3.688 1.00 0.00 H new ATOM 0 HA SER A 102 -2.673 4.130 4.450 1.00 0.00 H new ATOM 0 HB2 SER A 102 -0.839 6.404 3.775 1.00 0.00 H new ATOM 0 HB3 SER A 102 -0.157 5.104 4.733 1.00 0.00 H new ATOM 0 HG SER A 102 -1.712 4.345 2.511 1.00 0.00 H new ATOM 1442 N PRO A 103 -1.635 4.169 6.829 1.00 0.00 N ATOM 1443 CA PRO A 103 -1.199 2.971 6.106 1.00 0.00 C ATOM 1444 C PRO A 103 -2.373 2.173 5.546 1.00 0.00 C ATOM 1445 O PRO A 103 -3.480 2.221 6.082 1.00 0.00 O ATOM 1446 CB PRO A 103 -0.463 2.160 7.174 1.00 0.00 C ATOM 1447 CG PRO A 103 -1.057 2.607 8.466 1.00 0.00 C ATOM 1448 CD PRO A 103 -1.408 4.057 8.280 1.00 0.00 C ATOM 0 HA PRO A 103 -0.584 3.218 5.241 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -0.602 1.089 7.024 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.610 2.349 7.145 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -1.942 2.020 8.713 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -0.350 2.479 9.286 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.297 4.332 8.848 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -0.602 4.711 8.613 1.00 0.00 H new ATOM 1456 N PHE A 104 -2.123 1.441 4.466 1.00 0.00 N ATOM 1457 CA PHE A 104 -3.159 0.633 3.834 1.00 0.00 C ATOM 1458 C PHE A 104 -3.095 -0.812 4.320 1.00 0.00 C ATOM 1459 O PHE A 104 -2.089 -1.497 4.136 1.00 0.00 O ATOM 1460 CB PHE A 104 -3.012 0.678 2.311 1.00 0.00 C ATOM 1461 CG PHE A 104 -3.247 2.041 1.726 1.00 0.00 C ATOM 1462 CD1 PHE A 104 -4.482 2.658 1.846 1.00 0.00 C ATOM 1463 CD2 PHE A 104 -2.232 2.706 1.057 1.00 0.00 C ATOM 1464 CE1 PHE A 104 -4.700 3.912 1.308 1.00 0.00 C ATOM 1465 CE2 PHE A 104 -2.445 3.961 0.517 1.00 0.00 C ATOM 1466 CZ PHE A 104 -3.680 4.565 0.644 1.00 0.00 C ATOM 0 H PHE A 104 -1.212 1.391 4.010 1.00 0.00 H new ATOM 0 HA PHE A 104 -4.128 1.048 4.111 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -2.011 0.343 2.041 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -3.715 -0.026 1.865 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -5.283 2.153 2.366 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -1.264 2.239 0.956 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -5.668 4.381 1.407 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.646 4.468 -0.004 1.00 0.00 H new ATOM 0 HZ PHE A 104 -3.848 5.546 0.225 1.00 0.00 H new ATOM 1476 N LYS A 105 -4.176 -1.269 4.942 1.00 0.00 N ATOM 1477 CA LYS A 105 -4.246 -2.632 5.455 1.00 0.00 C ATOM 1478 C LYS A 105 -5.134 -3.501 4.571 1.00 0.00 C ATOM 1479 O LYS A 105 -6.355 -3.347 4.559 1.00 0.00 O ATOM 1480 CB LYS A 105 -4.779 -2.632 6.890 1.00 0.00 C ATOM 1481 CG LYS A 105 -3.786 -2.099 7.908 1.00 0.00 C ATOM 1482 CD LYS A 105 -4.365 -2.115 9.313 1.00 0.00 C ATOM 1483 CE LYS A 105 -3.645 -1.132 10.223 1.00 0.00 C ATOM 1484 NZ LYS A 105 -4.210 -1.136 11.601 1.00 0.00 N ATOM 0 H LYS A 105 -5.017 -0.715 5.103 1.00 0.00 H new ATOM 0 HA LYS A 105 -3.239 -3.049 5.448 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.687 -2.030 6.931 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.058 -3.649 7.165 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -2.878 -2.701 7.881 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.502 -1.081 7.642 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.426 -1.866 9.274 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -4.288 -3.120 9.728 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -2.585 -1.384 10.264 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -3.718 -0.129 9.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -3.692 -0.453 12.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -5.215 -0.871 11.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -4.118 -2.087 12.011 1.00 0.00 H new ATOM 1498 N ALA A 106 -4.513 -4.416 3.834 1.00 0.00 N ATOM 1499 CA ALA A 106 -5.248 -5.313 2.950 1.00 0.00 C ATOM 1500 C ALA A 106 -5.307 -6.724 3.525 1.00 0.00 C ATOM 1501 O ALA A 106 -4.487 -7.099 4.363 1.00 0.00 O ATOM 1502 CB ALA A 106 -4.612 -5.330 1.568 1.00 0.00 C ATOM 0 H ALA A 106 -3.503 -4.556 3.831 1.00 0.00 H new ATOM 0 HA ALA A 106 -6.269 -4.942 2.863 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -5.171 -6.004 0.919 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -4.628 -4.324 1.148 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -3.581 -5.674 1.646 1.00 0.00 H new ATOM 1508 N LYS A 107 -6.283 -7.502 3.070 1.00 0.00 N ATOM 1509 CA LYS A 107 -6.450 -8.873 3.538 1.00 0.00 C ATOM 1510 C LYS A 107 -6.604 -9.834 2.364 1.00 0.00 C ATOM 1511 O LYS A 107 -7.548 -9.728 1.581 1.00 0.00 O ATOM 1512 CB LYS A 107 -7.669 -8.975 4.457 1.00 0.00 C ATOM 1513 CG LYS A 107 -8.035 -10.402 4.827 1.00 0.00 C ATOM 1514 CD LYS A 107 -8.850 -10.455 6.108 1.00 0.00 C ATOM 1515 CE LYS A 107 -10.304 -10.081 5.859 1.00 0.00 C ATOM 1516 NZ LYS A 107 -10.993 -11.078 4.995 1.00 0.00 N ATOM 0 H LYS A 107 -6.971 -7.206 2.377 1.00 0.00 H new ATOM 0 HA LYS A 107 -5.556 -9.151 4.097 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -7.474 -8.411 5.369 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -8.522 -8.505 3.968 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -8.603 -10.855 4.014 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -7.126 -10.992 4.948 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -8.799 -11.458 6.532 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -8.419 -9.775 6.843 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -10.827 -10.003 6.812 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -10.351 -9.099 5.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -12.020 -11.015 5.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -10.775 -10.882 3.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -10.666 -12.034 5.240 1.00 0.00 H new ATOM 1530 N VAL A 108 -5.670 -10.773 2.247 1.00 0.00 N ATOM 1531 CA VAL A 108 -5.704 -11.755 1.170 1.00 0.00 C ATOM 1532 C VAL A 108 -6.486 -12.997 1.582 1.00 0.00 C ATOM 1533 O VAL A 108 -6.338 -13.496 2.698 1.00 0.00 O ATOM 1534 CB VAL A 108 -4.283 -12.173 0.747 1.00 0.00 C ATOM 1535 CG1 VAL A 108 -4.311 -12.866 -0.607 1.00 0.00 C ATOM 1536 CG2 VAL A 108 -3.359 -10.965 0.718 1.00 0.00 C ATOM 0 H VAL A 108 -4.881 -10.874 2.885 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.202 -11.280 0.325 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.897 -12.879 1.482 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.298 -13.154 -0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.938 -13.756 -0.548 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.717 -12.186 -1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.359 -11.279 0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.739 -10.233 0.006 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.315 -10.517 1.710 1.00 0.00 H new ATOM 1546 N THR A 109 -7.320 -13.494 0.674 1.00 0.00 N ATOM 1547 CA THR A 109 -8.126 -14.678 0.942 1.00 0.00 C ATOM 1548 C THR A 109 -8.203 -15.581 -0.284 1.00 0.00 C ATOM 1549 O THR A 109 -8.136 -15.110 -1.418 1.00 0.00 O ATOM 1550 CB THR A 109 -9.554 -14.298 1.376 1.00 0.00 C ATOM 1551 OG1 THR A 109 -10.170 -13.482 0.374 1.00 0.00 O ATOM 1552 CG2 THR A 109 -9.537 -13.554 2.703 1.00 0.00 C ATOM 0 H THR A 109 -7.455 -13.094 -0.255 1.00 0.00 H new ATOM 0 HA THR A 109 -7.637 -15.215 1.755 1.00 0.00 H new ATOM 0 HB THR A 109 -10.128 -15.216 1.500 1.00 0.00 H new ATOM 0 HG1 THR A 109 -11.078 -13.246 0.657 1.00 0.00 H new ATOM 0 HG21 THR A 109 -10.557 -13.296 2.989 1.00 0.00 H new ATOM 0 HG22 THR A 109 -9.095 -14.189 3.471 1.00 0.00 H new ATOM 0 HG23 THR A 109 -8.947 -12.643 2.602 1.00 0.00 H new ATOM 1560 N GLY A 110 -8.344 -16.881 -0.047 1.00 0.00 N ATOM 1561 CA GLY A 110 -8.428 -17.830 -1.142 1.00 0.00 C ATOM 1562 C GLY A 110 -7.452 -18.979 -0.990 1.00 0.00 C ATOM 1563 O GLY A 110 -6.432 -18.850 -0.314 1.00 0.00 O ATOM 0 H GLY A 110 -8.402 -17.294 0.884 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -9.442 -18.224 -1.200 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -8.233 -17.314 -2.082 1.00 0.00 H new ATOM 1567 N GLN A 111 -7.767 -20.107 -1.619 1.00 0.00 N ATOM 1568 CA GLN A 111 -6.910 -21.285 -1.547 1.00 0.00 C ATOM 1569 C GLN A 111 -5.467 -20.930 -1.890 1.00 0.00 C ATOM 1570 O GLN A 111 -5.212 -20.087 -2.750 1.00 0.00 O ATOM 1571 CB GLN A 111 -7.420 -22.371 -2.497 1.00 0.00 C ATOM 1572 CG GLN A 111 -7.884 -21.834 -3.841 1.00 0.00 C ATOM 1573 CD GLN A 111 -9.351 -21.451 -3.841 1.00 0.00 C ATOM 1574 OE1 GLN A 111 -9.696 -20.269 -3.847 1.00 0.00 O ATOM 1575 NE2 GLN A 111 -10.224 -22.452 -3.835 1.00 0.00 N ATOM 0 H GLN A 111 -8.608 -20.230 -2.183 1.00 0.00 H new ATOM 0 HA GLN A 111 -6.939 -21.663 -0.525 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -6.627 -23.101 -2.661 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -8.246 -22.900 -2.021 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -7.285 -20.963 -4.106 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -7.709 -22.587 -4.609 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -9.893 -23.417 -3.830 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -11.225 -22.256 -3.835 1.00 0.00 H new ATOM 1584 N ARG A 112 -4.526 -21.578 -1.211 1.00 0.00 N ATOM 1585 CA ARG A 112 -3.108 -21.330 -1.442 1.00 0.00 C ATOM 1586 C ARG A 112 -2.699 -21.780 -2.841 1.00 0.00 C ATOM 1587 O ARG A 112 -3.159 -22.812 -3.333 1.00 0.00 O ATOM 1588 CB ARG A 112 -2.264 -22.055 -0.393 1.00 0.00 C ATOM 1589 CG ARG A 112 -2.400 -23.568 -0.442 1.00 0.00 C ATOM 1590 CD ARG A 112 -1.289 -24.253 0.340 1.00 0.00 C ATOM 1591 NE ARG A 112 0.025 -24.010 -0.249 1.00 0.00 N ATOM 1592 CZ ARG A 112 1.164 -24.119 0.426 1.00 0.00 C ATOM 1593 NH1 ARG A 112 1.150 -24.466 1.705 1.00 0.00 N ATOM 1594 NH2 ARG A 112 2.320 -23.882 -0.180 1.00 0.00 N ATOM 0 H ARG A 112 -4.720 -22.279 -0.496 1.00 0.00 H new ATOM 0 HA ARG A 112 -2.934 -20.257 -1.359 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -1.217 -21.788 -0.534 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -2.552 -21.705 0.598 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -3.367 -23.861 -0.034 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -2.377 -23.903 -1.479 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.297 -23.895 1.370 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -1.478 -25.326 0.374 1.00 0.00 H new ATOM 0 HE ARG A 112 0.071 -23.742 -1.232 1.00 0.00 H new ATOM 0 HH11 ARG A 112 0.263 -24.650 2.174 1.00 0.00 H new ATOM 0 HH12 ARG A 112 2.026 -24.549 2.221 1.00 0.00 H new ATOM 0 HH21 ARG A 112 2.335 -23.616 -1.165 1.00 0.00 H new ATOM 0 HH22 ARG A 112 3.194 -23.966 0.339 1.00 0.00 H new ATOM 1608 N LEU A 113 -1.832 -21.001 -3.478 1.00 0.00 N ATOM 1609 CA LEU A 113 -1.359 -21.319 -4.821 1.00 0.00 C ATOM 1610 C LEU A 113 0.028 -21.951 -4.775 1.00 0.00 C ATOM 1611 O LEU A 113 1.026 -21.267 -4.546 1.00 0.00 O ATOM 1612 CB LEU A 113 -1.329 -20.057 -5.685 1.00 0.00 C ATOM 1613 CG LEU A 113 -2.671 -19.355 -5.894 1.00 0.00 C ATOM 1614 CD1 LEU A 113 -2.488 -18.086 -6.712 1.00 0.00 C ATOM 1615 CD2 LEU A 113 -3.663 -20.290 -6.572 1.00 0.00 C ATOM 0 H LEU A 113 -1.442 -20.144 -3.086 1.00 0.00 H new ATOM 0 HA LEU A 113 -2.050 -22.037 -5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -0.637 -19.347 -5.232 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -0.923 -20.319 -6.662 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.071 -19.080 -4.918 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.454 -17.600 -6.851 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.813 -17.409 -6.188 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.066 -18.338 -7.685 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.612 -19.773 -6.713 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -3.270 -20.597 -7.541 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.818 -21.170 -5.948 1.00 0.00 H new