USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 570 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 96 ASN : amide:sc= -1.6! C(o=-1.2!,f=-5.7!) USER MOD Set 1.2: A 97 SER OG : rot 180:sc= 0.217 USER MOD Set 1.3: A 98 SER OG : rot 74:sc= 0.154 USER MOD Set 2.1: A 94 THR OG1 : rot 64:sc= 0.669 USER MOD Set 2.2: A 103 ASN : amide:sc= 0.474 X(o=1.1,f=0.9) USER MOD Set 3.1: A 80 GLN : amide:sc= -0.148 K(o=1.2,f=0.37) USER MOD Set 3.2: A 89 GLN : amide:sc= 1.38 K(o=1.2,f=-5.5!) USER MOD Set 4.1: A 61 THR OG1 : rot -71:sc= -1.11 USER MOD Set 4.2: A 75 TYR OH : rot 180:sc= -0.61 USER MOD Set 5.1: A 51 THR OG1 : rot 108:sc= 0.159 USER MOD Set 5.2: A 54 GLN : amide:sc= -0.153 X(o=0.0064,f=-0.19) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 98:sc= 1.39 USER MOD Single : A 41 ASN : amide:sc= -0.0884 X(o=-0.088,f=0) USER MOD Single : A 44 SER OG : rot -170:sc= -0.823 USER MOD Single : A 45 LYS NZ :NH3+ -153:sc= 1.24 (180deg=1.02) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.0862 K(o=-0.086,f=-0.72) USER MOD Single : A 53 GLN : amide:sc= 0.00917 K(o=0.0092,f=-6.2!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 178:sc= 0 (180deg=-0.00392) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.139 USER MOD Single : A 71 ASN :FLIP amide:sc= -0.225 F(o=-2!,f=-0.23) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0177 USER MOD Single : A 79 GLN : amide:sc= -0.545 K(o=-0.55,f=-1.4!) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot -60:sc= -0.215 USER MOD Single : A 88 GLN : amide:sc= -0.981 X(o=-0.98,f=-0.54) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc=-0.00574 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 106 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 107 LYS NZ :NH3+ -172:sc= 1.15 (180deg=1.01) USER MOD ----------------------------------------------------------------- ATOM 257 N ASN A 36 -5.496 -16.103 13.814 1.00 0.00 N ATOM 258 CA ASN A 36 -6.181 -15.405 12.736 1.00 0.00 C ATOM 259 C ASN A 36 -5.217 -14.421 12.096 1.00 0.00 C ATOM 260 O ASN A 36 -4.925 -14.501 10.902 1.00 0.00 O ATOM 261 CB ASN A 36 -7.414 -14.676 13.267 1.00 0.00 C ATOM 262 CG ASN A 36 -8.713 -15.276 12.767 1.00 0.00 C ATOM 263 OD1 ASN A 36 -8.951 -15.358 11.561 1.00 0.00 O ATOM 264 ND2 ASN A 36 -9.562 -15.705 13.688 1.00 0.00 N ATOM 0 HA ASN A 36 -6.514 -16.127 11.990 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.404 -14.701 14.357 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.366 -13.628 12.971 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -10.450 -16.121 13.408 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -9.328 -15.619 14.677 1.00 0.00 H new ATOM 271 N TYR A 37 -4.722 -13.494 12.905 1.00 0.00 N ATOM 272 CA TYR A 37 -3.619 -12.640 12.497 1.00 0.00 C ATOM 273 C TYR A 37 -2.485 -12.777 13.505 1.00 0.00 C ATOM 274 O TYR A 37 -2.523 -13.659 14.364 1.00 0.00 O ATOM 275 CB TYR A 37 -4.048 -11.170 12.335 1.00 0.00 C ATOM 276 CG TYR A 37 -4.851 -10.593 13.483 1.00 0.00 C ATOM 277 CD1 TYR A 37 -4.227 -10.087 14.617 1.00 0.00 C ATOM 278 CD2 TYR A 37 -6.237 -10.530 13.416 1.00 0.00 C ATOM 279 CE1 TYR A 37 -4.961 -9.535 15.652 1.00 0.00 C ATOM 280 CE2 TYR A 37 -6.979 -9.985 14.448 1.00 0.00 C ATOM 281 CZ TYR A 37 -6.337 -9.487 15.563 1.00 0.00 C ATOM 282 OH TYR A 37 -7.071 -8.926 16.586 1.00 0.00 O ATOM 0 H TYR A 37 -5.068 -13.316 13.848 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.275 -12.965 11.515 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -3.154 -10.562 12.199 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.637 -11.080 11.422 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -3.150 -10.125 14.692 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -6.744 -10.913 12.543 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.459 -9.144 16.525 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -8.056 -9.949 14.381 1.00 0.00 H new ATOM 0 HH TYR A 37 -8.025 -8.970 16.367 1.00 0.00 H new ATOM 292 N LEU A 38 -1.487 -11.917 13.414 1.00 0.00 N ATOM 293 CA LEU A 38 -0.316 -12.041 14.263 1.00 0.00 C ATOM 294 C LEU A 38 -0.208 -10.876 15.241 1.00 0.00 C ATOM 295 O LEU A 38 -0.668 -9.768 14.959 1.00 0.00 O ATOM 296 CB LEU A 38 0.944 -12.141 13.406 1.00 0.00 C ATOM 297 CG LEU A 38 2.156 -12.725 14.127 1.00 0.00 C ATOM 298 CD1 LEU A 38 2.418 -14.153 13.671 1.00 0.00 C ATOM 299 CD2 LEU A 38 3.379 -11.855 13.904 1.00 0.00 C ATOM 0 H LEU A 38 -1.463 -11.130 12.765 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.420 -12.953 14.850 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.726 -12.755 12.533 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.199 -11.146 13.040 1.00 0.00 H new ATOM 0 HG LEU A 38 1.942 -12.745 15.196 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.286 -14.550 14.198 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.547 -14.771 13.890 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.609 -14.163 12.598 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.233 -12.287 14.426 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.596 -11.799 12.837 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.188 -10.853 14.289 1.00 0.00 H new ATOM 311 N THR A 39 0.398 -11.146 16.391 1.00 0.00 N ATOM 312 CA THR A 39 0.565 -10.154 17.441 1.00 0.00 C ATOM 313 C THR A 39 1.711 -9.191 17.126 1.00 0.00 C ATOM 314 O THR A 39 2.729 -9.585 16.554 1.00 0.00 O ATOM 315 CB THR A 39 0.853 -10.856 18.780 1.00 0.00 C ATOM 316 OG1 THR A 39 0.500 -12.248 18.686 1.00 0.00 O ATOM 317 CG2 THR A 39 0.080 -10.207 19.914 1.00 0.00 C ATOM 0 H THR A 39 0.787 -12.061 16.620 1.00 0.00 H new ATOM 0 HA THR A 39 -0.360 -9.581 17.506 1.00 0.00 H new ATOM 0 HB THR A 39 1.918 -10.761 18.993 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.304 -12.778 18.507 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.302 -10.723 20.848 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.370 -9.160 20.000 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.989 -10.271 19.709 1.00 0.00 H new ATOM 325 N ALA A 40 1.552 -7.931 17.523 1.00 0.00 N ATOM 326 CA ALA A 40 2.569 -6.915 17.270 1.00 0.00 C ATOM 327 C ALA A 40 3.755 -7.113 18.198 1.00 0.00 C ATOM 328 O ALA A 40 4.910 -7.008 17.783 1.00 0.00 O ATOM 329 CB ALA A 40 1.988 -5.518 17.449 1.00 0.00 C ATOM 0 H ALA A 40 0.730 -7.590 18.021 1.00 0.00 H new ATOM 0 HA ALA A 40 2.909 -7.018 16.239 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.762 -4.775 17.256 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.164 -5.374 16.750 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.622 -5.404 18.469 1.00 0.00 H new ATOM 335 N ASN A 41 3.453 -7.414 19.455 1.00 0.00 N ATOM 336 CA ASN A 41 4.482 -7.655 20.458 1.00 0.00 C ATOM 337 C ASN A 41 5.286 -8.901 20.114 1.00 0.00 C ATOM 338 O ASN A 41 6.428 -9.055 20.542 1.00 0.00 O ATOM 339 CB ASN A 41 3.855 -7.801 21.843 1.00 0.00 C ATOM 340 CG ASN A 41 4.787 -7.350 22.949 1.00 0.00 C ATOM 341 OD1 ASN A 41 5.158 -8.136 23.821 1.00 0.00 O ATOM 342 ND2 ASN A 41 5.165 -6.081 22.928 1.00 0.00 N ATOM 0 H ASN A 41 2.499 -7.497 19.805 1.00 0.00 H new ATOM 0 HA ASN A 41 5.156 -6.798 20.467 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.935 -7.217 21.886 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.579 -8.843 22.006 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.787 -5.722 23.653 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.835 -5.463 22.187 1.00 0.00 H new ATOM 349 N ASP A 42 4.687 -9.775 19.317 1.00 0.00 N ATOM 350 CA ASP A 42 5.352 -10.992 18.875 1.00 0.00 C ATOM 351 C ASP A 42 6.477 -10.648 17.905 1.00 0.00 C ATOM 352 O ASP A 42 7.543 -11.262 17.930 1.00 0.00 O ATOM 353 CB ASP A 42 4.344 -11.940 18.216 1.00 0.00 C ATOM 354 CG ASP A 42 3.819 -12.989 19.175 1.00 0.00 C ATOM 355 OD1 ASP A 42 4.424 -13.175 20.253 1.00 0.00 O ATOM 356 OD2 ASP A 42 2.787 -13.623 18.870 1.00 0.00 O ATOM 0 H ASP A 42 3.737 -9.663 18.962 1.00 0.00 H new ATOM 0 HA ASP A 42 5.780 -11.496 19.742 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.508 -11.360 17.824 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.816 -12.433 17.366 1.00 0.00 H new ATOM 361 N VAL A 43 6.239 -9.643 17.067 1.00 0.00 N ATOM 362 CA VAL A 43 7.247 -9.171 16.121 1.00 0.00 C ATOM 363 C VAL A 43 8.304 -8.334 16.838 1.00 0.00 C ATOM 364 O VAL A 43 9.392 -8.110 16.321 1.00 0.00 O ATOM 365 CB VAL A 43 6.619 -8.337 14.980 1.00 0.00 C ATOM 366 CG1 VAL A 43 7.614 -8.121 13.847 1.00 0.00 C ATOM 367 CG2 VAL A 43 5.364 -9.010 14.457 1.00 0.00 C ATOM 0 H VAL A 43 5.354 -9.138 17.023 1.00 0.00 H new ATOM 0 HA VAL A 43 7.713 -10.053 15.683 1.00 0.00 H new ATOM 0 HB VAL A 43 6.350 -7.362 15.387 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.145 -7.532 13.059 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.488 -7.591 14.226 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.922 -9.086 13.444 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.936 -8.409 13.655 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.614 -10.000 14.075 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.639 -9.106 15.265 1.00 0.00 H new ATOM 377 N SER A 44 7.982 -7.886 18.042 1.00 0.00 N ATOM 378 CA SER A 44 8.926 -7.113 18.838 1.00 0.00 C ATOM 379 C SER A 44 9.965 -8.035 19.479 1.00 0.00 C ATOM 380 O SER A 44 10.936 -7.576 20.082 1.00 0.00 O ATOM 381 CB SER A 44 8.184 -6.313 19.911 1.00 0.00 C ATOM 382 OG SER A 44 6.931 -5.849 19.425 1.00 0.00 O ATOM 0 H SER A 44 7.079 -8.043 18.489 1.00 0.00 H new ATOM 0 HA SER A 44 9.445 -6.415 18.182 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.028 -6.936 20.792 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.793 -5.465 20.224 1.00 0.00 H new ATOM 0 HG SER A 44 6.547 -5.213 20.065 1.00 0.00 H new ATOM 388 N LYS A 45 9.752 -9.341 19.341 1.00 0.00 N ATOM 389 CA LYS A 45 10.675 -10.329 19.884 1.00 0.00 C ATOM 390 C LYS A 45 11.850 -10.548 18.937 1.00 0.00 C ATOM 391 O LYS A 45 12.979 -10.787 19.376 1.00 0.00 O ATOM 392 CB LYS A 45 9.952 -11.655 20.132 1.00 0.00 C ATOM 393 CG LYS A 45 9.348 -11.774 21.522 1.00 0.00 C ATOM 394 CD LYS A 45 7.875 -12.141 21.460 1.00 0.00 C ATOM 395 CE LYS A 45 7.681 -13.632 21.251 1.00 0.00 C ATOM 396 NZ LYS A 45 6.365 -14.093 21.760 1.00 0.00 N ATOM 0 H LYS A 45 8.947 -9.738 18.857 1.00 0.00 H new ATOM 0 HA LYS A 45 11.057 -9.951 20.832 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.161 -11.771 19.391 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.654 -12.475 19.980 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.889 -12.530 22.091 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.467 -10.830 22.053 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.384 -11.835 22.384 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.396 -11.593 20.648 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.761 -13.864 20.189 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.478 -14.177 21.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.428 -15.096 22.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.097 -13.528 22.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.646 -13.978 21.017 1.00 0.00 H new ATOM 410 N ILE A 46 11.592 -10.457 17.637 1.00 0.00 N ATOM 411 CA ILE A 46 12.640 -10.663 16.648 1.00 0.00 C ATOM 412 C ILE A 46 13.483 -9.407 16.493 1.00 0.00 C ATOM 413 O ILE A 46 13.067 -8.310 16.868 1.00 0.00 O ATOM 414 CB ILE A 46 12.088 -11.102 15.276 1.00 0.00 C ATOM 415 CG1 ILE A 46 11.006 -10.142 14.784 1.00 0.00 C ATOM 416 CG2 ILE A 46 11.543 -12.517 15.363 1.00 0.00 C ATOM 417 CD1 ILE A 46 11.398 -9.381 13.537 1.00 0.00 C ATOM 0 H ILE A 46 10.674 -10.244 17.247 1.00 0.00 H new ATOM 0 HA ILE A 46 13.263 -11.476 17.019 1.00 0.00 H new ATOM 0 HB ILE A 46 12.906 -11.080 14.556 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.094 -10.705 14.585 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.774 -9.431 15.577 1.00 0.00 H new ATOM 0 HG21 ILE A 46 11.156 -12.818 14.390 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.341 -13.197 15.662 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.741 -12.553 16.100 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.584 -8.719 13.244 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.292 -8.790 13.737 1.00 0.00 H new ATOM 0 HD13 ILE A 46 11.601 -10.085 12.730 1.00 0.00 H new ATOM 429 N ARG A 47 14.678 -9.575 15.951 1.00 0.00 N ATOM 430 CA ARG A 47 15.653 -8.497 15.913 1.00 0.00 C ATOM 431 C ARG A 47 16.338 -8.436 14.561 1.00 0.00 C ATOM 432 O ARG A 47 16.258 -9.378 13.774 1.00 0.00 O ATOM 433 CB ARG A 47 16.713 -8.701 17.000 1.00 0.00 C ATOM 434 CG ARG A 47 16.193 -9.348 18.272 1.00 0.00 C ATOM 435 CD ARG A 47 15.527 -8.334 19.185 1.00 0.00 C ATOM 436 NE ARG A 47 16.155 -8.298 20.501 1.00 0.00 N ATOM 437 CZ ARG A 47 15.861 -9.140 21.491 1.00 0.00 C ATOM 438 NH1 ARG A 47 14.898 -10.046 21.336 1.00 0.00 N ATOM 439 NH2 ARG A 47 16.519 -9.068 22.638 1.00 0.00 N ATOM 0 H ARG A 47 14.997 -10.448 15.531 1.00 0.00 H new ATOM 0 HA ARG A 47 15.122 -7.561 16.088 1.00 0.00 H new ATOM 0 HB2 ARG A 47 17.516 -9.317 16.596 1.00 0.00 H new ATOM 0 HB3 ARG A 47 17.149 -7.734 17.251 1.00 0.00 H new ATOM 0 HG2 ARG A 47 15.480 -10.132 18.017 1.00 0.00 H new ATOM 0 HG3 ARG A 47 17.017 -9.827 18.800 1.00 0.00 H new ATOM 0 HD2 ARG A 47 15.579 -7.345 18.730 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.471 -8.580 19.293 1.00 0.00 H new ATOM 0 HE ARG A 47 16.863 -7.584 20.674 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.383 -10.097 20.457 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.676 -10.689 22.096 1.00 0.00 H new ATOM 0 HH21 ARG A 47 17.250 -8.368 22.763 1.00 0.00 H new ATOM 0 HH22 ARG A 47 16.294 -9.712 23.396 1.00 0.00 H new ATOM 453 N VAL A 48 17.020 -7.330 14.301 1.00 0.00 N ATOM 454 CA VAL A 48 17.827 -7.214 13.099 1.00 0.00 C ATOM 455 C VAL A 48 19.072 -8.082 13.231 1.00 0.00 C ATOM 456 O VAL A 48 19.613 -8.250 14.327 1.00 0.00 O ATOM 457 CB VAL A 48 18.243 -5.755 12.806 1.00 0.00 C ATOM 458 CG1 VAL A 48 17.148 -5.031 12.036 1.00 0.00 C ATOM 459 CG2 VAL A 48 18.583 -5.015 14.093 1.00 0.00 C ATOM 0 H VAL A 48 17.030 -6.506 14.903 1.00 0.00 H new ATOM 0 HA VAL A 48 17.215 -7.554 12.263 1.00 0.00 H new ATOM 0 HB VAL A 48 19.140 -5.775 12.187 1.00 0.00 H new ATOM 0 HG11 VAL A 48 17.459 -4.005 11.839 1.00 0.00 H new ATOM 0 HG12 VAL A 48 16.968 -5.543 11.091 1.00 0.00 H new ATOM 0 HG13 VAL A 48 16.231 -5.025 12.626 1.00 0.00 H new ATOM 0 HG21 VAL A 48 18.872 -3.991 13.858 1.00 0.00 H new ATOM 0 HG22 VAL A 48 17.712 -5.005 14.748 1.00 0.00 H new ATOM 0 HG23 VAL A 48 19.409 -5.519 14.595 1.00 0.00 H new ATOM 469 N GLY A 49 19.503 -8.649 12.117 1.00 0.00 N ATOM 470 CA GLY A 49 20.646 -9.541 12.120 1.00 0.00 C ATOM 471 C GLY A 49 20.309 -10.907 12.675 1.00 0.00 C ATOM 472 O GLY A 49 21.181 -11.767 12.798 1.00 0.00 O ATOM 0 H GLY A 49 19.078 -8.507 11.201 1.00 0.00 H new ATOM 0 HA2 GLY A 49 21.023 -9.648 11.103 1.00 0.00 H new ATOM 0 HA3 GLY A 49 21.447 -9.099 12.712 1.00 0.00 H new ATOM 476 N MET A 50 19.047 -11.105 13.013 1.00 0.00 N ATOM 477 CA MET A 50 18.572 -12.400 13.460 1.00 0.00 C ATOM 478 C MET A 50 18.244 -13.254 12.244 1.00 0.00 C ATOM 479 O MET A 50 17.660 -12.759 11.279 1.00 0.00 O ATOM 480 CB MET A 50 17.335 -12.230 14.347 1.00 0.00 C ATOM 481 CG MET A 50 17.650 -12.205 15.831 1.00 0.00 C ATOM 482 SD MET A 50 17.867 -13.854 16.530 1.00 0.00 S ATOM 483 CE MET A 50 16.514 -13.912 17.700 1.00 0.00 C ATOM 0 H MET A 50 18.330 -10.380 12.986 1.00 0.00 H new ATOM 0 HA MET A 50 19.346 -12.893 14.048 1.00 0.00 H new ATOM 0 HB2 MET A 50 16.829 -11.304 14.076 1.00 0.00 H new ATOM 0 HB3 MET A 50 16.639 -13.044 14.146 1.00 0.00 H new ATOM 0 HG2 MET A 50 18.558 -11.624 15.995 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.845 -11.695 16.360 1.00 0.00 H new ATOM 0 HE1 MET A 50 16.517 -14.874 18.212 1.00 0.00 H new ATOM 0 HE2 MET A 50 16.630 -13.112 18.431 1.00 0.00 H new ATOM 0 HE3 MET A 50 15.570 -13.785 17.171 1.00 0.00 H new ATOM 493 N THR A 51 18.635 -14.519 12.280 1.00 0.00 N ATOM 494 CA THR A 51 18.436 -15.404 11.146 1.00 0.00 C ATOM 495 C THR A 51 16.989 -15.885 11.085 1.00 0.00 C ATOM 496 O THR A 51 16.317 -15.980 12.113 1.00 0.00 O ATOM 497 CB THR A 51 19.386 -16.614 11.203 1.00 0.00 C ATOM 498 OG1 THR A 51 20.424 -16.388 12.172 1.00 0.00 O ATOM 499 CG2 THR A 51 20.012 -16.870 9.844 1.00 0.00 C ATOM 0 H THR A 51 19.091 -14.954 13.082 1.00 0.00 H new ATOM 0 HA THR A 51 18.661 -14.834 10.244 1.00 0.00 H new ATOM 0 HB THR A 51 18.803 -17.488 11.494 1.00 0.00 H new ATOM 0 HG1 THR A 51 20.273 -16.961 12.952 1.00 0.00 H new ATOM 0 HG21 THR A 51 20.680 -17.729 9.907 1.00 0.00 H new ATOM 0 HG22 THR A 51 19.228 -17.073 9.115 1.00 0.00 H new ATOM 0 HG23 THR A 51 20.579 -15.992 9.533 1.00 0.00 H new ATOM 507 N GLN A 52 16.531 -16.197 9.875 1.00 0.00 N ATOM 508 CA GLN A 52 15.136 -16.554 9.623 1.00 0.00 C ATOM 509 C GLN A 52 14.666 -17.714 10.501 1.00 0.00 C ATOM 510 O GLN A 52 13.505 -17.762 10.892 1.00 0.00 O ATOM 511 CB GLN A 52 14.928 -16.899 8.143 1.00 0.00 C ATOM 512 CG GLN A 52 16.043 -17.742 7.538 1.00 0.00 C ATOM 513 CD GLN A 52 15.555 -19.082 7.022 1.00 0.00 C ATOM 514 OE1 GLN A 52 14.637 -19.679 7.581 1.00 0.00 O ATOM 515 NE2 GLN A 52 16.165 -19.567 5.951 1.00 0.00 N ATOM 0 H GLN A 52 17.117 -16.210 9.040 1.00 0.00 H new ATOM 0 HA GLN A 52 14.534 -15.683 9.880 1.00 0.00 H new ATOM 0 HB2 GLN A 52 13.984 -17.433 8.035 1.00 0.00 H new ATOM 0 HB3 GLN A 52 14.838 -15.973 7.575 1.00 0.00 H new ATOM 0 HG2 GLN A 52 16.506 -17.190 6.720 1.00 0.00 H new ATOM 0 HG3 GLN A 52 16.816 -17.907 8.289 1.00 0.00 H new ATOM 0 HE21 GLN A 52 16.923 -19.042 5.514 1.00 0.00 H new ATOM 0 HE22 GLN A 52 15.877 -20.465 5.563 1.00 0.00 H new ATOM 524 N GLN A 53 15.569 -18.637 10.820 1.00 0.00 N ATOM 525 CA GLN A 53 15.223 -19.781 11.657 1.00 0.00 C ATOM 526 C GLN A 53 14.842 -19.310 13.053 1.00 0.00 C ATOM 527 O GLN A 53 13.837 -19.731 13.618 1.00 0.00 O ATOM 528 CB GLN A 53 16.394 -20.762 11.748 1.00 0.00 C ATOM 529 CG GLN A 53 16.783 -21.380 10.416 1.00 0.00 C ATOM 530 CD GLN A 53 17.777 -20.531 9.647 1.00 0.00 C ATOM 531 OE1 GLN A 53 18.255 -19.509 10.146 1.00 0.00 O ATOM 532 NE2 GLN A 53 18.088 -20.941 8.431 1.00 0.00 N ATOM 0 H GLN A 53 16.541 -18.615 10.513 1.00 0.00 H new ATOM 0 HA GLN A 53 14.374 -20.292 11.202 1.00 0.00 H new ATOM 0 HB2 GLN A 53 17.258 -20.244 12.163 1.00 0.00 H new ATOM 0 HB3 GLN A 53 16.135 -21.559 12.445 1.00 0.00 H new ATOM 0 HG2 GLN A 53 17.211 -22.367 10.589 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.888 -21.523 9.811 1.00 0.00 H new ATOM 0 HE21 GLN A 53 17.669 -21.793 8.057 1.00 0.00 H new ATOM 0 HE22 GLN A 53 18.747 -20.406 7.866 1.00 0.00 H new ATOM 541 N GLN A 54 15.645 -18.405 13.589 1.00 0.00 N ATOM 542 CA GLN A 54 15.422 -17.869 14.921 1.00 0.00 C ATOM 543 C GLN A 54 14.227 -16.927 14.911 1.00 0.00 C ATOM 544 O GLN A 54 13.480 -16.841 15.884 1.00 0.00 O ATOM 545 CB GLN A 54 16.672 -17.134 15.406 1.00 0.00 C ATOM 546 CG GLN A 54 17.737 -18.053 15.980 1.00 0.00 C ATOM 547 CD GLN A 54 18.360 -18.954 14.930 1.00 0.00 C ATOM 548 OE1 GLN A 54 19.137 -18.505 14.086 1.00 0.00 O ATOM 549 NE2 GLN A 54 18.021 -20.231 14.970 1.00 0.00 N ATOM 0 H GLN A 54 16.464 -18.024 13.116 1.00 0.00 H new ATOM 0 HA GLN A 54 15.213 -18.692 15.604 1.00 0.00 H new ATOM 0 HB2 GLN A 54 17.099 -16.573 14.574 1.00 0.00 H new ATOM 0 HB3 GLN A 54 16.384 -16.408 16.166 1.00 0.00 H new ATOM 0 HG2 GLN A 54 18.517 -17.452 16.446 1.00 0.00 H new ATOM 0 HG3 GLN A 54 17.296 -18.667 16.765 1.00 0.00 H new ATOM 0 HE21 GLN A 54 17.374 -20.565 15.685 1.00 0.00 H new ATOM 0 HE22 GLN A 54 18.406 -20.883 14.286 1.00 0.00 H new ATOM 558 N VAL A 55 14.055 -16.227 13.798 1.00 0.00 N ATOM 559 CA VAL A 55 12.896 -15.373 13.607 1.00 0.00 C ATOM 560 C VAL A 55 11.628 -16.218 13.630 1.00 0.00 C ATOM 561 O VAL A 55 10.693 -15.930 14.370 1.00 0.00 O ATOM 562 CB VAL A 55 12.980 -14.591 12.276 1.00 0.00 C ATOM 563 CG1 VAL A 55 11.661 -13.901 11.955 1.00 0.00 C ATOM 564 CG2 VAL A 55 14.110 -13.576 12.331 1.00 0.00 C ATOM 0 H VAL A 55 14.706 -16.235 13.013 1.00 0.00 H new ATOM 0 HA VAL A 55 12.873 -14.648 14.420 1.00 0.00 H new ATOM 0 HB VAL A 55 13.186 -15.305 11.479 1.00 0.00 H new ATOM 0 HG11 VAL A 55 11.753 -13.360 11.013 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.871 -14.647 11.869 1.00 0.00 H new ATOM 0 HG13 VAL A 55 11.413 -13.201 12.753 1.00 0.00 H new ATOM 0 HG21 VAL A 55 14.157 -13.033 11.387 1.00 0.00 H new ATOM 0 HG22 VAL A 55 13.929 -12.874 13.145 1.00 0.00 H new ATOM 0 HG23 VAL A 55 15.055 -14.092 12.500 1.00 0.00 H new ATOM 574 N ALA A 56 11.631 -17.292 12.851 1.00 0.00 N ATOM 575 CA ALA A 56 10.487 -18.187 12.778 1.00 0.00 C ATOM 576 C ALA A 56 10.274 -18.905 14.106 1.00 0.00 C ATOM 577 O ALA A 56 9.145 -19.250 14.459 1.00 0.00 O ATOM 578 CB ALA A 56 10.677 -19.191 11.653 1.00 0.00 C ATOM 0 H ALA A 56 12.416 -17.564 12.260 1.00 0.00 H new ATOM 0 HA ALA A 56 9.598 -17.592 12.569 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.814 -19.855 11.609 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.776 -18.661 10.706 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.577 -19.777 11.837 1.00 0.00 H new ATOM 584 N TYR A 57 11.364 -19.117 14.835 1.00 0.00 N ATOM 585 CA TYR A 57 11.314 -19.792 16.126 1.00 0.00 C ATOM 586 C TYR A 57 10.654 -18.924 17.195 1.00 0.00 C ATOM 587 O TYR A 57 9.695 -19.346 17.845 1.00 0.00 O ATOM 588 CB TYR A 57 12.726 -20.169 16.581 1.00 0.00 C ATOM 589 CG TYR A 57 12.981 -21.658 16.603 1.00 0.00 C ATOM 590 CD1 TYR A 57 13.323 -22.340 15.442 1.00 0.00 C ATOM 591 CD2 TYR A 57 12.883 -22.379 17.786 1.00 0.00 C ATOM 592 CE1 TYR A 57 13.563 -23.699 15.460 1.00 0.00 C ATOM 593 CE2 TYR A 57 13.119 -23.738 17.810 1.00 0.00 C ATOM 594 CZ TYR A 57 13.459 -24.391 16.645 1.00 0.00 C ATOM 595 OH TYR A 57 13.703 -25.742 16.670 1.00 0.00 O ATOM 0 H TYR A 57 12.300 -18.828 14.551 1.00 0.00 H new ATOM 0 HA TYR A 57 10.713 -20.692 15.998 1.00 0.00 H new ATOM 0 HB2 TYR A 57 13.450 -19.695 15.918 1.00 0.00 H new ATOM 0 HB3 TYR A 57 12.896 -19.766 17.579 1.00 0.00 H new ATOM 0 HD1 TYR A 57 13.402 -21.798 14.511 1.00 0.00 H new ATOM 0 HD2 TYR A 57 12.618 -21.868 18.700 1.00 0.00 H new ATOM 0 HE1 TYR A 57 13.831 -24.216 14.550 1.00 0.00 H new ATOM 0 HE2 TYR A 57 13.038 -24.287 18.736 1.00 0.00 H new ATOM 0 HH TYR A 57 13.588 -26.078 17.583 1.00 0.00 H new ATOM 605 N ALA A 58 11.165 -17.714 17.372 1.00 0.00 N ATOM 606 CA ALA A 58 10.706 -16.840 18.444 1.00 0.00 C ATOM 607 C ALA A 58 9.395 -16.145 18.087 1.00 0.00 C ATOM 608 O ALA A 58 8.530 -15.960 18.945 1.00 0.00 O ATOM 609 CB ALA A 58 11.776 -15.807 18.780 1.00 0.00 C ATOM 0 H ALA A 58 11.898 -17.314 16.787 1.00 0.00 H new ATOM 0 HA ALA A 58 10.522 -17.463 19.319 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.419 -15.161 19.582 1.00 0.00 H new ATOM 0 HB2 ALA A 58 12.685 -16.316 19.101 1.00 0.00 H new ATOM 0 HB3 ALA A 58 11.990 -15.204 17.897 1.00 0.00 H new ATOM 615 N LEU A 59 9.255 -15.757 16.827 1.00 0.00 N ATOM 616 CA LEU A 59 8.078 -15.022 16.381 1.00 0.00 C ATOM 617 C LEU A 59 6.935 -15.971 16.027 1.00 0.00 C ATOM 618 O LEU A 59 5.775 -15.707 16.347 1.00 0.00 O ATOM 619 CB LEU A 59 8.441 -14.136 15.183 1.00 0.00 C ATOM 620 CG LEU A 59 7.278 -13.678 14.307 1.00 0.00 C ATOM 621 CD1 LEU A 59 6.537 -12.531 14.968 1.00 0.00 C ATOM 622 CD2 LEU A 59 7.786 -13.266 12.932 1.00 0.00 C ATOM 0 H LEU A 59 9.942 -15.939 16.095 1.00 0.00 H new ATOM 0 HA LEU A 59 7.736 -14.388 17.199 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.959 -13.252 15.555 1.00 0.00 H new ATOM 0 HB3 LEU A 59 9.148 -14.680 14.557 1.00 0.00 H new ATOM 0 HG LEU A 59 6.583 -14.509 14.185 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.711 -12.216 14.331 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.147 -12.857 15.932 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.220 -11.694 15.117 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.947 -12.941 12.316 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.497 -12.447 13.037 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.278 -14.115 12.457 1.00 0.00 H new ATOM 634 N GLY A 60 7.270 -17.077 15.384 1.00 0.00 N ATOM 635 CA GLY A 60 6.258 -18.033 14.982 1.00 0.00 C ATOM 636 C GLY A 60 5.890 -17.895 13.519 1.00 0.00 C ATOM 637 O GLY A 60 4.750 -17.580 13.184 1.00 0.00 O ATOM 0 H GLY A 60 8.225 -17.332 15.132 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.620 -19.044 15.170 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.367 -17.895 15.594 1.00 0.00 H new ATOM 641 N THR A 61 6.853 -18.140 12.646 1.00 0.00 N ATOM 642 CA THR A 61 6.640 -17.994 11.213 1.00 0.00 C ATOM 643 C THR A 61 6.427 -19.353 10.540 1.00 0.00 C ATOM 644 O THR A 61 7.157 -20.310 10.806 1.00 0.00 O ATOM 645 CB THR A 61 7.839 -17.286 10.558 1.00 0.00 C ATOM 646 OG1 THR A 61 8.240 -16.174 11.368 1.00 0.00 O ATOM 647 CG2 THR A 61 7.501 -16.804 9.157 1.00 0.00 C ATOM 0 H THR A 61 7.793 -18.442 12.904 1.00 0.00 H new ATOM 0 HA THR A 61 5.742 -17.391 11.077 1.00 0.00 H new ATOM 0 HB THR A 61 8.656 -18.003 10.480 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.563 -15.467 11.311 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.370 -16.309 8.723 1.00 0.00 H new ATOM 0 HG22 THR A 61 7.222 -17.656 8.537 1.00 0.00 H new ATOM 0 HG23 THR A 61 6.669 -16.102 9.205 1.00 0.00 H new ATOM 655 N PRO A 62 5.401 -19.459 9.677 1.00 0.00 N ATOM 656 CA PRO A 62 5.142 -20.662 8.887 1.00 0.00 C ATOM 657 C PRO A 62 6.045 -20.734 7.658 1.00 0.00 C ATOM 658 O PRO A 62 6.767 -19.781 7.355 1.00 0.00 O ATOM 659 CB PRO A 62 3.669 -20.508 8.460 1.00 0.00 C ATOM 660 CG PRO A 62 3.179 -19.245 9.101 1.00 0.00 C ATOM 661 CD PRO A 62 4.399 -18.428 9.405 1.00 0.00 C ATOM 0 HA PRO A 62 5.337 -21.574 9.451 1.00 0.00 H new ATOM 0 HB2 PRO A 62 3.582 -20.453 7.375 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.078 -21.364 8.785 1.00 0.00 H new ATOM 0 HG2 PRO A 62 2.506 -18.706 8.434 1.00 0.00 H new ATOM 0 HG3 PRO A 62 2.620 -19.462 10.011 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.684 -17.794 8.565 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.247 -17.772 10.262 1.00 0.00 H new ATOM 669 N LEU A 63 6.005 -21.856 6.954 1.00 0.00 N ATOM 670 CA LEU A 63 6.806 -22.023 5.748 1.00 0.00 C ATOM 671 C LEU A 63 6.315 -21.090 4.641 1.00 0.00 C ATOM 672 O LEU A 63 5.109 -20.899 4.464 1.00 0.00 O ATOM 673 CB LEU A 63 6.777 -23.489 5.281 1.00 0.00 C ATOM 674 CG LEU A 63 5.977 -23.768 4.003 1.00 0.00 C ATOM 675 CD1 LEU A 63 6.862 -24.411 2.945 1.00 0.00 C ATOM 676 CD2 LEU A 63 4.779 -24.654 4.309 1.00 0.00 C ATOM 0 H LEU A 63 5.429 -22.662 7.195 1.00 0.00 H new ATOM 0 HA LEU A 63 7.838 -21.759 5.980 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.803 -23.821 5.124 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.365 -24.098 6.085 1.00 0.00 H new ATOM 0 HG LEU A 63 5.613 -22.818 3.611 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.275 -24.601 2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.687 -23.741 2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.258 -25.353 3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.222 -24.842 3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.123 -25.601 4.725 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.132 -24.155 5.030 1.00 0.00 H new ATOM 688 N MET A 64 7.252 -20.493 3.916 1.00 0.00 N ATOM 689 CA MET A 64 6.922 -19.597 2.815 1.00 0.00 C ATOM 690 C MET A 64 7.912 -19.790 1.668 1.00 0.00 C ATOM 691 O MET A 64 8.837 -20.596 1.777 1.00 0.00 O ATOM 692 CB MET A 64 6.930 -18.142 3.288 1.00 0.00 C ATOM 693 CG MET A 64 5.841 -17.292 2.649 1.00 0.00 C ATOM 694 SD MET A 64 6.049 -15.532 2.977 1.00 0.00 S ATOM 695 CE MET A 64 6.926 -15.012 1.503 1.00 0.00 C ATOM 0 H MET A 64 8.253 -20.614 4.072 1.00 0.00 H new ATOM 0 HA MET A 64 5.920 -19.836 2.458 1.00 0.00 H new ATOM 0 HB2 MET A 64 6.810 -18.119 4.371 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.902 -17.701 3.066 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.841 -17.459 1.572 1.00 0.00 H new ATOM 0 HG3 MET A 64 4.869 -17.614 3.022 1.00 0.00 H new ATOM 0 HE1 MET A 64 7.096 -13.936 1.541 1.00 0.00 H new ATOM 0 HE2 MET A 64 7.884 -15.529 1.448 1.00 0.00 H new ATOM 0 HE3 MET A 64 6.332 -15.254 0.622 1.00 0.00 H new ATOM 705 N SER A 65 7.718 -19.054 0.579 1.00 0.00 N ATOM 706 CA SER A 65 8.576 -19.182 -0.589 1.00 0.00 C ATOM 707 C SER A 65 9.244 -17.853 -0.939 1.00 0.00 C ATOM 708 O SER A 65 8.705 -16.781 -0.652 1.00 0.00 O ATOM 709 CB SER A 65 7.761 -19.690 -1.779 1.00 0.00 C ATOM 710 OG SER A 65 6.767 -20.611 -1.359 1.00 0.00 O ATOM 0 H SER A 65 6.974 -18.363 0.483 1.00 0.00 H new ATOM 0 HA SER A 65 9.362 -19.899 -0.354 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.290 -18.849 -2.288 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.424 -20.168 -2.500 1.00 0.00 H new ATOM 0 HG SER A 65 6.258 -20.920 -2.137 1.00 0.00 H new ATOM 716 N ASP A 66 10.413 -17.947 -1.560 1.00 0.00 N ATOM 717 CA ASP A 66 11.189 -16.784 -1.984 1.00 0.00 C ATOM 718 C ASP A 66 12.046 -17.137 -3.210 1.00 0.00 C ATOM 719 O ASP A 66 13.216 -16.760 -3.294 1.00 0.00 O ATOM 720 CB ASP A 66 12.085 -16.290 -0.831 1.00 0.00 C ATOM 721 CG ASP A 66 13.271 -17.205 -0.540 1.00 0.00 C ATOM 722 OD1 ASP A 66 13.102 -18.445 -0.554 1.00 0.00 O ATOM 723 OD2 ASP A 66 14.386 -16.687 -0.295 1.00 0.00 O ATOM 0 H ASP A 66 10.854 -18.838 -1.786 1.00 0.00 H new ATOM 0 HA ASP A 66 10.500 -15.985 -2.257 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.457 -15.294 -1.073 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.481 -16.195 0.071 1.00 0.00 H new ATOM 728 N PRO A 67 11.454 -17.812 -4.215 1.00 0.00 N ATOM 729 CA PRO A 67 12.219 -18.471 -5.284 1.00 0.00 C ATOM 730 C PRO A 67 13.065 -17.507 -6.107 1.00 0.00 C ATOM 731 O PRO A 67 14.163 -17.850 -6.545 1.00 0.00 O ATOM 732 CB PRO A 67 11.140 -19.114 -6.161 1.00 0.00 C ATOM 733 CG PRO A 67 9.896 -18.349 -5.866 1.00 0.00 C ATOM 734 CD PRO A 67 9.997 -17.935 -4.429 1.00 0.00 C ATOM 0 HA PRO A 67 12.937 -19.180 -4.871 1.00 0.00 H new ATOM 0 HB2 PRO A 67 11.401 -19.051 -7.217 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.018 -20.171 -5.925 1.00 0.00 H new ATOM 0 HG2 PRO A 67 9.809 -17.479 -6.517 1.00 0.00 H new ATOM 0 HG3 PRO A 67 9.011 -18.963 -6.034 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.482 -16.992 -4.244 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.553 -18.676 -3.764 1.00 0.00 H new ATOM 742 N PHE A 68 12.564 -16.299 -6.295 1.00 0.00 N ATOM 743 CA PHE A 68 13.230 -15.337 -7.161 1.00 0.00 C ATOM 744 C PHE A 68 13.959 -14.264 -6.360 1.00 0.00 C ATOM 745 O PHE A 68 14.448 -13.288 -6.925 1.00 0.00 O ATOM 746 CB PHE A 68 12.226 -14.696 -8.116 1.00 0.00 C ATOM 747 CG PHE A 68 12.101 -15.433 -9.420 1.00 0.00 C ATOM 748 CD1 PHE A 68 11.277 -16.544 -9.528 1.00 0.00 C ATOM 749 CD2 PHE A 68 12.813 -15.021 -10.534 1.00 0.00 C ATOM 750 CE1 PHE A 68 11.166 -17.227 -10.724 1.00 0.00 C ATOM 751 CE2 PHE A 68 12.706 -15.700 -11.732 1.00 0.00 C ATOM 752 CZ PHE A 68 11.880 -16.805 -11.827 1.00 0.00 C ATOM 0 H PHE A 68 11.704 -15.960 -5.864 1.00 0.00 H new ATOM 0 HA PHE A 68 13.977 -15.879 -7.741 1.00 0.00 H new ATOM 0 HB2 PHE A 68 11.249 -14.655 -7.633 1.00 0.00 H new ATOM 0 HB3 PHE A 68 12.527 -13.667 -8.314 1.00 0.00 H new ATOM 0 HD1 PHE A 68 10.716 -16.879 -8.668 1.00 0.00 H new ATOM 0 HD2 PHE A 68 13.460 -14.159 -10.465 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.521 -18.090 -10.796 1.00 0.00 H new ATOM 0 HE2 PHE A 68 13.267 -15.368 -12.593 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.794 -17.337 -12.763 1.00 0.00 H new ATOM 762 N GLY A 69 14.024 -14.435 -5.048 1.00 0.00 N ATOM 763 CA GLY A 69 14.745 -13.491 -4.222 1.00 0.00 C ATOM 764 C GLY A 69 13.805 -12.596 -3.462 1.00 0.00 C ATOM 765 O GLY A 69 14.174 -11.504 -3.028 1.00 0.00 O ATOM 0 H GLY A 69 13.592 -15.208 -4.542 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.382 -14.031 -3.521 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.401 -12.885 -4.847 1.00 0.00 H new ATOM 769 N THR A 70 12.579 -13.061 -3.313 1.00 0.00 N ATOM 770 CA THR A 70 11.567 -12.330 -2.588 1.00 0.00 C ATOM 771 C THR A 70 11.796 -12.461 -1.084 1.00 0.00 C ATOM 772 O THR A 70 11.212 -13.321 -0.428 1.00 0.00 O ATOM 773 CB THR A 70 10.174 -12.864 -2.956 1.00 0.00 C ATOM 774 OG1 THR A 70 10.322 -13.985 -3.849 1.00 0.00 O ATOM 775 CG2 THR A 70 9.338 -11.774 -3.621 1.00 0.00 C ATOM 0 H THR A 70 12.261 -13.953 -3.691 1.00 0.00 H new ATOM 0 HA THR A 70 11.629 -11.277 -2.861 1.00 0.00 H new ATOM 0 HB THR A 70 9.660 -13.180 -2.048 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.437 -14.333 -4.087 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.355 -12.172 -3.874 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.224 -10.934 -2.936 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.837 -11.436 -4.529 1.00 0.00 H new ATOM 783 N ASN A 71 12.640 -11.599 -0.537 1.00 0.00 N ATOM 784 CA ASN A 71 13.063 -11.737 0.846 1.00 0.00 C ATOM 785 C ASN A 71 12.454 -10.655 1.722 1.00 0.00 C ATOM 786 O ASN A 71 13.025 -10.259 2.742 1.00 0.00 O ATOM 787 CB ASN A 71 14.588 -11.729 0.942 1.00 0.00 C ATOM 788 CG ASN A 71 15.183 -13.093 0.640 1.00 0.00 C ATOM 789 OD1 ASN A 71 14.369 -14.137 0.747 1.00 0.00 O flip ATOM 790 ND2 ASN A 71 16.360 -13.212 0.302 1.00 0.00 N flip ATOM 0 H ASN A 71 13.043 -10.801 -1.028 1.00 0.00 H new ATOM 0 HA ASN A 71 12.701 -12.697 1.215 1.00 0.00 H new ATOM 0 HB2 ASN A 71 14.992 -10.995 0.245 1.00 0.00 H new ATOM 0 HB3 ASN A 71 14.887 -11.416 1.942 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.956 -12.387 0.230 1.00 0.00 H new ATOM 0 HD22 ASN A 71 16.740 -14.135 0.093 1.00 0.00 H new ATOM 797 N THR A 72 11.292 -10.176 1.313 1.00 0.00 N ATOM 798 CA THR A 72 10.502 -9.296 2.142 1.00 0.00 C ATOM 799 C THR A 72 9.354 -10.083 2.758 1.00 0.00 C ATOM 800 O THR A 72 8.629 -10.784 2.055 1.00 0.00 O ATOM 801 CB THR A 72 9.934 -8.113 1.339 1.00 0.00 C ATOM 802 OG1 THR A 72 10.230 -8.280 -0.058 1.00 0.00 O ATOM 803 CG2 THR A 72 10.511 -6.793 1.833 1.00 0.00 C ATOM 0 H THR A 72 10.877 -10.386 0.405 1.00 0.00 H new ATOM 0 HA THR A 72 11.151 -8.894 2.920 1.00 0.00 H new ATOM 0 HB THR A 72 8.853 -8.092 1.481 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.864 -7.524 -0.563 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.094 -5.972 1.249 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.258 -6.656 2.884 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.595 -6.805 1.719 1.00 0.00 H new ATOM 811 N TRP A 73 9.193 -9.973 4.061 1.00 0.00 N ATOM 812 CA TRP A 73 8.147 -10.708 4.745 1.00 0.00 C ATOM 813 C TRP A 73 6.999 -9.774 5.078 1.00 0.00 C ATOM 814 O TRP A 73 7.181 -8.775 5.766 1.00 0.00 O ATOM 815 CB TRP A 73 8.690 -11.371 6.015 1.00 0.00 C ATOM 816 CG TRP A 73 8.845 -12.855 5.875 1.00 0.00 C ATOM 817 CD1 TRP A 73 8.276 -13.642 4.918 1.00 0.00 C ATOM 818 CD2 TRP A 73 9.619 -13.731 6.706 1.00 0.00 C ATOM 819 NE1 TRP A 73 8.645 -14.950 5.100 1.00 0.00 N ATOM 820 CE2 TRP A 73 9.467 -15.034 6.191 1.00 0.00 C ATOM 821 CE3 TRP A 73 10.423 -13.546 7.835 1.00 0.00 C ATOM 822 CZ2 TRP A 73 10.093 -16.140 6.761 1.00 0.00 C ATOM 823 CZ3 TRP A 73 11.042 -14.647 8.402 1.00 0.00 C ATOM 824 CH2 TRP A 73 10.871 -15.930 7.864 1.00 0.00 C ATOM 0 H TRP A 73 9.769 -9.386 4.665 1.00 0.00 H new ATOM 0 HA TRP A 73 7.782 -11.496 4.086 1.00 0.00 H new ATOM 0 HB2 TRP A 73 9.656 -10.931 6.264 1.00 0.00 H new ATOM 0 HB3 TRP A 73 8.018 -11.157 6.846 1.00 0.00 H new ATOM 0 HD1 TRP A 73 7.628 -13.287 4.130 1.00 0.00 H new ATOM 0 HE1 TRP A 73 8.354 -15.734 4.516 1.00 0.00 H new ATOM 0 HE3 TRP A 73 10.559 -12.561 8.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 9.968 -17.129 6.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 11.667 -14.515 9.273 1.00 0.00 H new ATOM 0 HH2 TRP A 73 11.364 -16.770 8.331 1.00 0.00 H new ATOM 835 N PHE A 74 5.821 -10.102 4.579 1.00 0.00 N ATOM 836 CA PHE A 74 4.659 -9.250 4.761 1.00 0.00 C ATOM 837 C PHE A 74 3.707 -9.864 5.770 1.00 0.00 C ATOM 838 O PHE A 74 3.137 -10.929 5.534 1.00 0.00 O ATOM 839 CB PHE A 74 3.933 -9.025 3.429 1.00 0.00 C ATOM 840 CG PHE A 74 4.792 -9.252 2.216 1.00 0.00 C ATOM 841 CD1 PHE A 74 5.665 -8.272 1.775 1.00 0.00 C ATOM 842 CD2 PHE A 74 4.727 -10.449 1.519 1.00 0.00 C ATOM 843 CE1 PHE A 74 6.458 -8.480 0.663 1.00 0.00 C ATOM 844 CE2 PHE A 74 5.516 -10.663 0.406 1.00 0.00 C ATOM 845 CZ PHE A 74 6.383 -9.677 -0.023 1.00 0.00 C ATOM 0 H PHE A 74 5.643 -10.952 4.044 1.00 0.00 H new ATOM 0 HA PHE A 74 5.002 -8.286 5.136 1.00 0.00 H new ATOM 0 HB2 PHE A 74 3.071 -9.690 3.380 1.00 0.00 H new ATOM 0 HB3 PHE A 74 3.550 -8.005 3.404 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.727 -7.334 2.307 1.00 0.00 H new ATOM 0 HD2 PHE A 74 4.051 -11.223 1.851 1.00 0.00 H new ATOM 0 HE1 PHE A 74 7.136 -7.708 0.330 1.00 0.00 H new ATOM 0 HE2 PHE A 74 5.455 -11.600 -0.128 1.00 0.00 H new ATOM 0 HZ PHE A 74 7.001 -9.841 -0.893 1.00 0.00 H new ATOM 855 N TYR A 75 3.542 -9.196 6.893 1.00 0.00 N ATOM 856 CA TYR A 75 2.625 -9.653 7.917 1.00 0.00 C ATOM 857 C TYR A 75 1.383 -8.777 7.927 1.00 0.00 C ATOM 858 O TYR A 75 1.483 -7.548 7.943 1.00 0.00 O ATOM 859 CB TYR A 75 3.307 -9.635 9.286 1.00 0.00 C ATOM 860 CG TYR A 75 3.986 -10.939 9.635 1.00 0.00 C ATOM 861 CD1 TYR A 75 5.306 -11.181 9.273 1.00 0.00 C ATOM 862 CD2 TYR A 75 3.304 -11.932 10.322 1.00 0.00 C ATOM 863 CE1 TYR A 75 5.925 -12.379 9.588 1.00 0.00 C ATOM 864 CE2 TYR A 75 3.914 -13.131 10.638 1.00 0.00 C ATOM 865 CZ TYR A 75 5.222 -13.349 10.271 1.00 0.00 C ATOM 866 OH TYR A 75 5.827 -14.543 10.587 1.00 0.00 O ATOM 0 H TYR A 75 4.033 -8.331 7.120 1.00 0.00 H new ATOM 0 HA TYR A 75 2.328 -10.678 7.696 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.045 -8.833 9.306 1.00 0.00 H new ATOM 0 HB3 TYR A 75 2.565 -9.404 10.050 1.00 0.00 H new ATOM 0 HD1 TYR A 75 5.858 -10.423 8.737 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.278 -11.765 10.615 1.00 0.00 H new ATOM 0 HE1 TYR A 75 6.952 -12.552 9.301 1.00 0.00 H new ATOM 0 HE2 TYR A 75 3.366 -13.894 11.171 1.00 0.00 H new ATOM 0 HH TYR A 75 5.193 -15.114 11.069 1.00 0.00 H new ATOM 876 N VAL A 76 0.220 -9.413 7.921 1.00 0.00 N ATOM 877 CA VAL A 76 -1.042 -8.693 7.849 1.00 0.00 C ATOM 878 C VAL A 76 -1.439 -8.253 9.252 1.00 0.00 C ATOM 879 O VAL A 76 -1.803 -9.069 10.104 1.00 0.00 O ATOM 880 CB VAL A 76 -2.152 -9.554 7.195 1.00 0.00 C ATOM 881 CG1 VAL A 76 -2.229 -10.939 7.827 1.00 0.00 C ATOM 882 CG2 VAL A 76 -3.494 -8.844 7.264 1.00 0.00 C ATOM 0 H VAL A 76 0.125 -10.428 7.965 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.916 -7.815 7.216 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.893 -9.690 6.145 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.018 -11.516 7.344 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.275 -11.451 7.699 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.449 -10.842 8.890 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.259 -9.466 6.799 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.757 -8.663 8.306 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.430 -7.893 6.736 1.00 0.00 H new ATOM 892 N PHE A 77 -1.347 -6.959 9.500 1.00 0.00 N ATOM 893 CA PHE A 77 -1.352 -6.474 10.862 1.00 0.00 C ATOM 894 C PHE A 77 -2.554 -5.614 11.210 1.00 0.00 C ATOM 895 O PHE A 77 -2.757 -4.528 10.663 1.00 0.00 O ATOM 896 CB PHE A 77 -0.072 -5.701 11.135 1.00 0.00 C ATOM 897 CG PHE A 77 0.789 -6.379 12.147 1.00 0.00 C ATOM 898 CD1 PHE A 77 1.744 -7.301 11.759 1.00 0.00 C ATOM 899 CD2 PHE A 77 0.627 -6.109 13.488 1.00 0.00 C ATOM 900 CE1 PHE A 77 2.525 -7.940 12.691 1.00 0.00 C ATOM 901 CE2 PHE A 77 1.408 -6.742 14.424 1.00 0.00 C ATOM 902 CZ PHE A 77 2.358 -7.659 14.026 1.00 0.00 C ATOM 0 H PHE A 77 -1.269 -6.236 8.785 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.416 -7.357 11.498 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.485 -5.584 10.206 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.322 -4.699 11.485 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.877 -7.521 10.710 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.119 -5.395 13.805 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.266 -8.659 12.376 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.278 -6.521 15.473 1.00 0.00 H new ATOM 0 HZ PHE A 77 2.971 -8.156 14.763 1.00 0.00 H new ATOM 912 N ARG A 78 -3.340 -6.117 12.143 1.00 0.00 N ATOM 913 CA ARG A 78 -4.341 -5.317 12.811 1.00 0.00 C ATOM 914 C ARG A 78 -3.879 -5.089 14.244 1.00 0.00 C ATOM 915 O ARG A 78 -3.977 -5.976 15.086 1.00 0.00 O ATOM 916 CB ARG A 78 -5.701 -6.026 12.782 1.00 0.00 C ATOM 917 CG ARG A 78 -6.749 -5.403 13.695 1.00 0.00 C ATOM 918 CD ARG A 78 -7.393 -4.180 13.062 1.00 0.00 C ATOM 919 NE ARG A 78 -8.797 -4.409 12.720 1.00 0.00 N ATOM 920 CZ ARG A 78 -9.782 -4.516 13.615 1.00 0.00 C ATOM 921 NH1 ARG A 78 -9.526 -4.444 14.917 1.00 0.00 N ATOM 922 NH2 ARG A 78 -11.027 -4.694 13.197 1.00 0.00 N ATOM 0 H ARG A 78 -3.301 -7.087 12.456 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.462 -4.360 12.303 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.078 -6.023 11.759 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.561 -7.069 13.067 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.518 -6.141 13.923 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.286 -5.122 14.641 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.321 -3.337 13.749 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.842 -3.906 12.162 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.039 -4.492 11.733 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.569 -4.306 15.242 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.286 -4.527 15.592 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.227 -4.748 12.198 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.785 -4.777 13.874 1.00 0.00 H new ATOM 936 N GLN A 79 -3.360 -3.898 14.508 1.00 0.00 N ATOM 937 CA GLN A 79 -2.824 -3.579 15.825 1.00 0.00 C ATOM 938 C GLN A 79 -3.587 -2.419 16.450 1.00 0.00 C ATOM 939 O GLN A 79 -3.837 -2.396 17.656 1.00 0.00 O ATOM 940 CB GLN A 79 -1.325 -3.259 15.736 1.00 0.00 C ATOM 941 CG GLN A 79 -0.944 -2.289 14.621 1.00 0.00 C ATOM 942 CD GLN A 79 0.323 -1.519 14.939 1.00 0.00 C ATOM 943 OE1 GLN A 79 0.589 -1.188 16.094 1.00 0.00 O ATOM 944 NE2 GLN A 79 1.116 -1.233 13.919 1.00 0.00 N ATOM 0 H GLN A 79 -3.298 -3.138 13.830 1.00 0.00 H new ATOM 0 HA GLN A 79 -2.949 -4.452 16.466 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -0.999 -2.842 16.689 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.777 -4.190 15.592 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.807 -2.842 13.692 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.762 -1.587 14.457 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.860 -1.525 12.976 1.00 0.00 H new ATOM 0 HE22 GLN A 79 1.984 -0.720 14.076 1.00 0.00 H new ATOM 953 N GLN A 80 -3.958 -1.461 15.618 1.00 0.00 N ATOM 954 CA GLN A 80 -4.778 -0.345 16.050 1.00 0.00 C ATOM 955 C GLN A 80 -5.673 0.102 14.906 1.00 0.00 C ATOM 956 O GLN A 80 -5.263 0.063 13.743 1.00 0.00 O ATOM 957 CB GLN A 80 -3.907 0.818 16.538 1.00 0.00 C ATOM 958 CG GLN A 80 -3.081 1.479 15.446 1.00 0.00 C ATOM 959 CD GLN A 80 -1.637 1.668 15.854 1.00 0.00 C ATOM 960 OE1 GLN A 80 -1.339 1.990 17.004 1.00 0.00 O ATOM 961 NE2 GLN A 80 -0.729 1.466 14.917 1.00 0.00 N ATOM 0 H GLN A 80 -3.701 -1.435 14.631 1.00 0.00 H new ATOM 0 HA GLN A 80 -5.399 -0.669 16.885 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -4.549 1.570 16.998 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -3.236 0.453 17.315 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -3.124 0.871 14.542 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -3.517 2.447 15.200 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -1.018 1.200 13.976 1.00 0.00 H new ATOM 0 HE22 GLN A 80 0.261 1.576 15.135 1.00 0.00 H new ATOM 970 N PRO A 81 -6.921 0.472 15.213 1.00 0.00 N ATOM 971 CA PRO A 81 -7.863 0.985 14.230 1.00 0.00 C ATOM 972 C PRO A 81 -7.703 2.490 14.015 1.00 0.00 C ATOM 973 O PRO A 81 -6.755 2.933 13.368 1.00 0.00 O ATOM 974 CB PRO A 81 -9.237 0.658 14.847 1.00 0.00 C ATOM 975 CG PRO A 81 -8.964 0.074 16.203 1.00 0.00 C ATOM 976 CD PRO A 81 -7.537 0.402 16.537 1.00 0.00 C ATOM 0 HA PRO A 81 -7.716 0.543 13.245 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.850 1.555 14.927 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.785 -0.048 14.223 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -9.641 0.492 16.948 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.122 -1.004 16.198 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.451 1.345 17.077 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -7.078 -0.365 17.160 1.00 0.00 H new ATOM 984 N GLY A 82 -8.617 3.270 14.575 1.00 0.00 N ATOM 985 CA GLY A 82 -8.584 4.705 14.393 1.00 0.00 C ATOM 986 C GLY A 82 -9.805 5.194 13.650 1.00 0.00 C ATOM 987 O GLY A 82 -10.539 4.396 13.064 1.00 0.00 O ATOM 0 H GLY A 82 -9.384 2.931 15.155 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.527 5.195 15.365 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.685 4.983 13.842 1.00 0.00 H new ATOM 991 N HIS A 83 -10.037 6.497 13.670 1.00 0.00 N ATOM 992 CA HIS A 83 -11.197 7.065 13.005 1.00 0.00 C ATOM 993 C HIS A 83 -10.838 7.540 11.605 1.00 0.00 C ATOM 994 O HIS A 83 -10.305 8.636 11.427 1.00 0.00 O ATOM 995 CB HIS A 83 -11.778 8.221 13.823 1.00 0.00 C ATOM 996 CG HIS A 83 -13.269 8.314 13.737 1.00 0.00 C ATOM 997 ND1 HIS A 83 -13.929 9.394 13.192 1.00 0.00 N ATOM 998 CD2 HIS A 83 -14.232 7.443 14.119 1.00 0.00 C ATOM 999 CE1 HIS A 83 -15.232 9.183 13.247 1.00 0.00 C ATOM 1000 NE2 HIS A 83 -15.442 8.005 13.803 1.00 0.00 N ATOM 0 H HIS A 83 -9.439 7.178 14.138 1.00 0.00 H new ATOM 0 HA HIS A 83 -11.953 6.284 12.922 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -11.488 8.101 14.867 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -11.342 9.158 13.477 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -14.076 6.482 14.587 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -15.996 9.860 12.896 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -16.355 7.582 13.970 1.00 0.00 H new ATOM 1009 N GLU A 84 -11.117 6.699 10.621 1.00 0.00 N ATOM 1010 CA GLU A 84 -10.861 7.030 9.225 1.00 0.00 C ATOM 1011 C GLU A 84 -11.714 6.155 8.317 1.00 0.00 C ATOM 1012 O GLU A 84 -12.591 6.638 7.608 1.00 0.00 O ATOM 1013 CB GLU A 84 -9.380 6.828 8.885 1.00 0.00 C ATOM 1014 CG GLU A 84 -8.722 8.028 8.220 1.00 0.00 C ATOM 1015 CD GLU A 84 -9.512 8.565 7.044 1.00 0.00 C ATOM 1016 OE1 GLU A 84 -9.912 7.766 6.168 1.00 0.00 O ATOM 1017 OE2 GLU A 84 -9.735 9.792 6.986 1.00 0.00 O ATOM 0 H GLU A 84 -11.524 5.775 10.764 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.119 8.077 9.068 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.838 6.592 9.801 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.285 5.965 8.227 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.596 8.821 8.958 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.725 7.746 7.882 1.00 0.00 H new ATOM 1024 N GLY A 85 -11.471 4.855 8.378 1.00 0.00 N ATOM 1025 CA GLY A 85 -12.136 3.930 7.484 1.00 0.00 C ATOM 1026 C GLY A 85 -11.164 3.318 6.497 1.00 0.00 C ATOM 1027 O GLY A 85 -11.278 2.148 6.142 1.00 0.00 O ATOM 0 H GLY A 85 -10.821 4.422 9.034 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -12.613 3.140 8.064 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.927 4.450 6.943 1.00 0.00 H new ATOM 1031 N VAL A 86 -10.195 4.112 6.066 1.00 0.00 N ATOM 1032 CA VAL A 86 -9.119 3.613 5.225 1.00 0.00 C ATOM 1033 C VAL A 86 -7.864 3.530 6.074 1.00 0.00 C ATOM 1034 O VAL A 86 -7.069 4.472 6.135 1.00 0.00 O ATOM 1035 CB VAL A 86 -8.867 4.524 4.000 1.00 0.00 C ATOM 1036 CG1 VAL A 86 -7.863 3.885 3.049 1.00 0.00 C ATOM 1037 CG2 VAL A 86 -10.174 4.830 3.278 1.00 0.00 C ATOM 0 H VAL A 86 -10.132 5.106 6.286 1.00 0.00 H new ATOM 0 HA VAL A 86 -9.398 2.633 4.838 1.00 0.00 H new ATOM 0 HB VAL A 86 -8.446 5.464 4.357 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.701 4.543 2.195 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.918 3.727 3.570 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.250 2.927 2.701 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -9.974 5.472 2.420 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -10.628 3.899 2.937 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -10.856 5.338 3.960 1.00 0.00 H new ATOM 1047 N THR A 87 -7.696 2.406 6.746 1.00 0.00 N ATOM 1048 CA THR A 87 -6.684 2.299 7.776 1.00 0.00 C ATOM 1049 C THR A 87 -6.320 0.840 8.057 1.00 0.00 C ATOM 1050 O THR A 87 -7.055 0.123 8.740 1.00 0.00 O ATOM 1051 CB THR A 87 -7.184 2.991 9.069 1.00 0.00 C ATOM 1052 OG1 THR A 87 -7.266 4.408 8.860 1.00 0.00 O ATOM 1053 CG2 THR A 87 -6.275 2.709 10.255 1.00 0.00 C ATOM 0 H THR A 87 -8.245 1.559 6.597 1.00 0.00 H new ATOM 0 HA THR A 87 -5.782 2.798 7.423 1.00 0.00 H new ATOM 0 HB THR A 87 -8.169 2.585 9.298 1.00 0.00 H new ATOM 0 HG1 THR A 87 -6.380 4.757 8.630 1.00 0.00 H new ATOM 0 HG21 THR A 87 -6.664 3.214 11.139 1.00 0.00 H new ATOM 0 HG22 THR A 87 -6.237 1.635 10.437 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.271 3.076 10.040 1.00 0.00 H new ATOM 1061 N GLN A 88 -5.190 0.411 7.505 1.00 0.00 N ATOM 1062 CA GLN A 88 -4.627 -0.903 7.794 1.00 0.00 C ATOM 1063 C GLN A 88 -3.113 -0.856 7.631 1.00 0.00 C ATOM 1064 O GLN A 88 -2.600 -0.151 6.764 1.00 0.00 O ATOM 1065 CB GLN A 88 -5.224 -1.973 6.884 1.00 0.00 C ATOM 1066 CG GLN A 88 -5.273 -3.353 7.527 1.00 0.00 C ATOM 1067 CD GLN A 88 -5.979 -3.351 8.873 1.00 0.00 C ATOM 1068 OE1 GLN A 88 -7.184 -3.124 8.958 1.00 0.00 O ATOM 1069 NE2 GLN A 88 -5.238 -3.623 9.939 1.00 0.00 N ATOM 0 H GLN A 88 -4.640 0.963 6.847 1.00 0.00 H new ATOM 0 HA GLN A 88 -4.874 -1.166 8.822 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -6.234 -1.676 6.600 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -4.638 -2.028 5.967 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -5.783 -4.044 6.855 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -4.257 -3.725 7.656 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -4.240 -3.807 9.833 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -5.666 -3.648 10.865 1.00 0.00 H new ATOM 1078 N GLN A 89 -2.401 -1.595 8.468 1.00 0.00 N ATOM 1079 CA GLN A 89 -0.948 -1.542 8.471 1.00 0.00 C ATOM 1080 C GLN A 89 -0.364 -2.908 8.133 1.00 0.00 C ATOM 1081 O GLN A 89 -0.940 -3.939 8.483 1.00 0.00 O ATOM 1082 CB GLN A 89 -0.431 -1.071 9.836 1.00 0.00 C ATOM 1083 CG GLN A 89 -1.235 -1.597 11.016 1.00 0.00 C ATOM 1084 CD GLN A 89 -2.038 -0.514 11.712 1.00 0.00 C ATOM 1085 OE1 GLN A 89 -1.482 0.439 12.255 1.00 0.00 O ATOM 1086 NE2 GLN A 89 -3.353 -0.658 11.703 1.00 0.00 N ATOM 0 H GLN A 89 -2.804 -2.236 9.151 1.00 0.00 H new ATOM 0 HA GLN A 89 -0.630 -0.828 7.711 1.00 0.00 H new ATOM 0 HB2 GLN A 89 0.607 -1.384 9.948 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.440 0.019 9.860 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.912 -2.378 10.669 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -0.557 -2.058 11.734 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -3.775 -1.464 11.241 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -3.945 0.037 12.158 1.00 0.00 H new ATOM 1095 N THR A 90 0.774 -2.913 7.461 1.00 0.00 N ATOM 1096 CA THR A 90 1.441 -4.153 7.101 1.00 0.00 C ATOM 1097 C THR A 90 2.879 -4.151 7.612 1.00 0.00 C ATOM 1098 O THR A 90 3.635 -3.213 7.357 1.00 0.00 O ATOM 1099 CB THR A 90 1.447 -4.363 5.573 1.00 0.00 C ATOM 1100 OG1 THR A 90 0.310 -3.714 4.986 1.00 0.00 O ATOM 1101 CG2 THR A 90 1.422 -5.842 5.222 1.00 0.00 C ATOM 0 H THR A 90 1.257 -2.069 7.153 1.00 0.00 H new ATOM 0 HA THR A 90 0.887 -4.969 7.565 1.00 0.00 H new ATOM 0 HB THR A 90 2.365 -3.929 5.177 1.00 0.00 H new ATOM 0 HG1 THR A 90 0.321 -3.850 4.016 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.427 -5.959 4.138 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.300 -6.331 5.644 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.521 -6.298 5.632 1.00 0.00 H new ATOM 1109 N LEU A 91 3.254 -5.201 8.329 1.00 0.00 N ATOM 1110 CA LEU A 91 4.610 -5.319 8.841 1.00 0.00 C ATOM 1111 C LEU A 91 5.505 -5.904 7.761 1.00 0.00 C ATOM 1112 O LEU A 91 5.316 -7.045 7.339 1.00 0.00 O ATOM 1113 CB LEU A 91 4.637 -6.200 10.090 1.00 0.00 C ATOM 1114 CG LEU A 91 5.070 -5.497 11.379 1.00 0.00 C ATOM 1115 CD1 LEU A 91 6.479 -4.943 11.239 1.00 0.00 C ATOM 1116 CD2 LEU A 91 4.085 -4.393 11.749 1.00 0.00 C ATOM 0 H LEU A 91 2.640 -5.980 8.568 1.00 0.00 H new ATOM 0 HA LEU A 91 4.976 -4.330 9.117 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.642 -6.618 10.241 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.311 -7.038 9.909 1.00 0.00 H new ATOM 0 HG LEU A 91 5.072 -6.230 12.185 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.769 -4.447 12.165 1.00 0.00 H new ATOM 0 HD12 LEU A 91 7.172 -5.759 11.032 1.00 0.00 H new ATOM 0 HD13 LEU A 91 6.508 -4.226 10.419 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.412 -3.907 12.668 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.043 -3.658 10.945 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.095 -4.824 11.899 1.00 0.00 H new ATOM 1128 N THR A 92 6.458 -5.109 7.300 1.00 0.00 N ATOM 1129 CA THR A 92 7.311 -5.517 6.198 1.00 0.00 C ATOM 1130 C THR A 92 8.733 -5.808 6.669 1.00 0.00 C ATOM 1131 O THR A 92 9.505 -4.901 6.967 1.00 0.00 O ATOM 1132 CB THR A 92 7.335 -4.435 5.102 1.00 0.00 C ATOM 1133 OG1 THR A 92 6.215 -3.547 5.271 1.00 0.00 O ATOM 1134 CG2 THR A 92 7.281 -5.065 3.719 1.00 0.00 C ATOM 0 H THR A 92 6.659 -4.180 7.671 1.00 0.00 H new ATOM 0 HA THR A 92 6.894 -6.436 5.785 1.00 0.00 H new ATOM 0 HB THR A 92 8.265 -3.874 5.192 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.235 -2.859 4.573 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.299 -4.282 2.961 1.00 0.00 H new ATOM 0 HG22 THR A 92 8.141 -5.720 3.584 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.364 -5.645 3.619 1.00 0.00 H new ATOM 1142 N LEU A 93 9.067 -7.082 6.735 1.00 0.00 N ATOM 1143 CA LEU A 93 10.397 -7.508 7.136 1.00 0.00 C ATOM 1144 C LEU A 93 11.311 -7.555 5.922 1.00 0.00 C ATOM 1145 O LEU A 93 10.855 -7.829 4.817 1.00 0.00 O ATOM 1146 CB LEU A 93 10.340 -8.891 7.783 1.00 0.00 C ATOM 1147 CG LEU A 93 9.875 -8.924 9.239 1.00 0.00 C ATOM 1148 CD1 LEU A 93 8.355 -8.861 9.326 1.00 0.00 C ATOM 1149 CD2 LEU A 93 10.398 -10.172 9.932 1.00 0.00 C ATOM 0 H LEU A 93 8.430 -7.848 6.514 1.00 0.00 H new ATOM 0 HA LEU A 93 10.788 -6.793 7.860 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.673 -9.520 7.194 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.332 -9.339 7.728 1.00 0.00 H new ATOM 0 HG LEU A 93 10.279 -8.048 9.747 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.049 -8.886 10.372 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.002 -7.938 8.867 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.925 -9.714 8.802 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.059 -10.182 10.968 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.023 -11.057 9.419 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.488 -10.173 9.907 1.00 0.00 H new ATOM 1161 N THR A 94 12.588 -7.279 6.125 1.00 0.00 N ATOM 1162 CA THR A 94 13.564 -7.334 5.046 1.00 0.00 C ATOM 1163 C THR A 94 14.835 -8.005 5.531 1.00 0.00 C ATOM 1164 O THR A 94 15.498 -7.507 6.437 1.00 0.00 O ATOM 1165 CB THR A 94 13.898 -5.926 4.517 1.00 0.00 C ATOM 1166 OG1 THR A 94 12.918 -4.984 4.975 1.00 0.00 O ATOM 1167 CG2 THR A 94 13.943 -5.916 2.996 1.00 0.00 C ATOM 0 H THR A 94 12.976 -7.013 7.030 1.00 0.00 H new ATOM 0 HA THR A 94 13.128 -7.912 4.231 1.00 0.00 H new ATOM 0 HB THR A 94 14.880 -5.643 4.897 1.00 0.00 H new ATOM 0 HG1 THR A 94 12.960 -4.917 5.952 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.180 -4.912 2.646 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.708 -6.611 2.650 1.00 0.00 H new ATOM 0 HG23 THR A 94 12.973 -6.218 2.601 1.00 0.00 H new ATOM 1175 N PHE A 95 15.160 -9.147 4.947 1.00 0.00 N ATOM 1176 CA PHE A 95 16.341 -9.886 5.351 1.00 0.00 C ATOM 1177 C PHE A 95 17.192 -10.238 4.142 1.00 0.00 C ATOM 1178 O PHE A 95 16.668 -10.491 3.058 1.00 0.00 O ATOM 1179 CB PHE A 95 15.960 -11.154 6.133 1.00 0.00 C ATOM 1180 CG PHE A 95 14.934 -12.028 5.466 1.00 0.00 C ATOM 1181 CD1 PHE A 95 13.579 -11.780 5.628 1.00 0.00 C ATOM 1182 CD2 PHE A 95 15.324 -13.106 4.690 1.00 0.00 C ATOM 1183 CE1 PHE A 95 12.635 -12.590 5.024 1.00 0.00 C ATOM 1184 CE2 PHE A 95 14.386 -13.921 4.087 1.00 0.00 C ATOM 1185 CZ PHE A 95 13.040 -13.662 4.252 1.00 0.00 C ATOM 0 H PHE A 95 14.624 -9.580 4.195 1.00 0.00 H new ATOM 0 HA PHE A 95 16.927 -9.247 6.012 1.00 0.00 H new ATOM 0 HB2 PHE A 95 16.862 -11.743 6.303 1.00 0.00 H new ATOM 0 HB3 PHE A 95 15.583 -10.859 7.112 1.00 0.00 H new ATOM 0 HD1 PHE A 95 13.258 -10.945 6.233 1.00 0.00 H new ATOM 0 HD2 PHE A 95 16.375 -13.312 4.554 1.00 0.00 H new ATOM 0 HE1 PHE A 95 11.583 -12.385 5.155 1.00 0.00 H new ATOM 0 HE2 PHE A 95 14.705 -14.760 3.487 1.00 0.00 H new ATOM 0 HZ PHE A 95 12.305 -14.296 3.779 1.00 0.00 H new ATOM 1195 N ASN A 96 18.502 -10.234 4.328 1.00 0.00 N ATOM 1196 CA ASN A 96 19.417 -10.598 3.258 1.00 0.00 C ATOM 1197 C ASN A 96 19.391 -12.109 3.044 1.00 0.00 C ATOM 1198 O ASN A 96 18.929 -12.846 3.915 1.00 0.00 O ATOM 1199 CB ASN A 96 20.838 -10.076 3.558 1.00 0.00 C ATOM 1200 CG ASN A 96 21.820 -11.139 4.039 1.00 0.00 C ATOM 1201 OD1 ASN A 96 22.217 -12.029 3.292 1.00 0.00 O ATOM 1202 ND2 ASN A 96 22.246 -11.032 5.286 1.00 0.00 N ATOM 0 H ASN A 96 18.955 -9.984 5.207 1.00 0.00 H new ATOM 0 HA ASN A 96 19.094 -10.126 2.330 1.00 0.00 H new ATOM 0 HB2 ASN A 96 21.238 -9.613 2.656 1.00 0.00 H new ATOM 0 HB3 ASN A 96 20.771 -9.294 4.315 1.00 0.00 H new ATOM 0 HD21 ASN A 96 22.924 -11.700 5.652 1.00 0.00 H new ATOM 0 HD22 ASN A 96 21.897 -10.281 5.882 1.00 0.00 H new ATOM 1209 N SER A 97 19.898 -12.540 1.888 1.00 0.00 N ATOM 1210 CA SER A 97 19.860 -13.933 1.430 1.00 0.00 C ATOM 1211 C SER A 97 20.145 -14.964 2.532 1.00 0.00 C ATOM 1212 O SER A 97 19.515 -16.023 2.573 1.00 0.00 O ATOM 1213 CB SER A 97 20.871 -14.091 0.300 1.00 0.00 C ATOM 1214 OG SER A 97 21.473 -12.838 -0.001 1.00 0.00 O ATOM 0 H SER A 97 20.359 -11.915 1.226 1.00 0.00 H new ATOM 0 HA SER A 97 18.843 -14.136 1.095 1.00 0.00 H new ATOM 0 HB2 SER A 97 21.637 -14.811 0.586 1.00 0.00 H new ATOM 0 HB3 SER A 97 20.377 -14.487 -0.587 1.00 0.00 H new ATOM 0 HG SER A 97 22.121 -12.953 -0.727 1.00 0.00 H new ATOM 1220 N SER A 98 21.079 -14.655 3.425 1.00 0.00 N ATOM 1221 CA SER A 98 21.468 -15.584 4.483 1.00 0.00 C ATOM 1222 C SER A 98 20.388 -15.700 5.569 1.00 0.00 C ATOM 1223 O SER A 98 20.511 -16.501 6.497 1.00 0.00 O ATOM 1224 CB SER A 98 22.793 -15.134 5.095 1.00 0.00 C ATOM 1225 OG SER A 98 23.586 -14.461 4.128 1.00 0.00 O ATOM 0 H SER A 98 21.582 -13.768 3.438 1.00 0.00 H new ATOM 0 HA SER A 98 21.586 -16.573 4.040 1.00 0.00 H new ATOM 0 HB2 SER A 98 22.603 -14.474 5.941 1.00 0.00 H new ATOM 0 HB3 SER A 98 23.334 -15.998 5.480 1.00 0.00 H new ATOM 0 HG SER A 98 23.212 -13.571 3.960 1.00 0.00 H new ATOM 1231 N GLY A 99 19.329 -14.914 5.435 1.00 0.00 N ATOM 1232 CA GLY A 99 18.241 -14.958 6.386 1.00 0.00 C ATOM 1233 C GLY A 99 18.425 -13.963 7.511 1.00 0.00 C ATOM 1234 O GLY A 99 17.791 -14.077 8.552 1.00 0.00 O ATOM 0 H GLY A 99 19.205 -14.242 4.678 1.00 0.00 H new ATOM 0 HA2 GLY A 99 17.302 -14.753 5.871 1.00 0.00 H new ATOM 0 HA3 GLY A 99 18.164 -15.963 6.801 1.00 0.00 H new ATOM 1238 N VAL A 100 19.291 -12.986 7.297 1.00 0.00 N ATOM 1239 CA VAL A 100 19.619 -12.014 8.320 1.00 0.00 C ATOM 1240 C VAL A 100 18.794 -10.745 8.125 1.00 0.00 C ATOM 1241 O VAL A 100 18.936 -10.058 7.109 1.00 0.00 O ATOM 1242 CB VAL A 100 21.130 -11.685 8.289 1.00 0.00 C ATOM 1243 CG1 VAL A 100 21.432 -10.380 9.007 1.00 0.00 C ATOM 1244 CG2 VAL A 100 21.936 -12.826 8.892 1.00 0.00 C ATOM 0 H VAL A 100 19.782 -12.847 6.414 1.00 0.00 H new ATOM 0 HA VAL A 100 19.379 -12.440 9.294 1.00 0.00 H new ATOM 0 HB VAL A 100 21.422 -11.563 7.246 1.00 0.00 H new ATOM 0 HG11 VAL A 100 22.503 -10.181 8.965 1.00 0.00 H new ATOM 0 HG12 VAL A 100 20.892 -9.566 8.524 1.00 0.00 H new ATOM 0 HG13 VAL A 100 21.118 -10.456 10.048 1.00 0.00 H new ATOM 0 HG21 VAL A 100 22.997 -12.578 8.862 1.00 0.00 H new ATOM 0 HG22 VAL A 100 21.629 -12.982 9.926 1.00 0.00 H new ATOM 0 HG23 VAL A 100 21.760 -13.737 8.320 1.00 0.00 H new ATOM 1254 N LEU A 101 17.911 -10.468 9.084 1.00 0.00 N ATOM 1255 CA LEU A 101 17.056 -9.277 9.058 1.00 0.00 C ATOM 1256 C LEU A 101 17.893 -8.012 8.914 1.00 0.00 C ATOM 1257 O LEU A 101 18.550 -7.581 9.860 1.00 0.00 O ATOM 1258 CB LEU A 101 16.233 -9.199 10.346 1.00 0.00 C ATOM 1259 CG LEU A 101 14.748 -9.536 10.205 1.00 0.00 C ATOM 1260 CD1 LEU A 101 14.055 -8.537 9.291 1.00 0.00 C ATOM 1261 CD2 LEU A 101 14.561 -10.952 9.683 1.00 0.00 C ATOM 0 H LEU A 101 17.767 -11.061 9.901 1.00 0.00 H new ATOM 0 HA LEU A 101 16.389 -9.354 8.200 1.00 0.00 H new ATOM 0 HB2 LEU A 101 16.673 -9.877 11.078 1.00 0.00 H new ATOM 0 HB3 LEU A 101 16.321 -8.191 10.751 1.00 0.00 H new ATOM 0 HG LEU A 101 14.293 -9.473 11.193 1.00 0.00 H new ATOM 0 HD11 LEU A 101 12.999 -8.795 9.204 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.151 -7.535 9.709 1.00 0.00 H new ATOM 0 HD13 LEU A 101 14.518 -8.565 8.304 1.00 0.00 H new ATOM 0 HD21 LEU A 101 13.497 -11.168 9.591 1.00 0.00 H new ATOM 0 HD22 LEU A 101 15.036 -11.045 8.706 1.00 0.00 H new ATOM 0 HD23 LEU A 101 15.016 -11.659 10.377 1.00 0.00 H new ATOM 1273 N THR A 102 17.865 -7.422 7.736 1.00 0.00 N ATOM 1274 CA THR A 102 18.656 -6.241 7.457 1.00 0.00 C ATOM 1275 C THR A 102 17.883 -4.975 7.804 1.00 0.00 C ATOM 1276 O THR A 102 18.468 -3.946 8.159 1.00 0.00 O ATOM 1277 CB THR A 102 19.065 -6.204 5.976 1.00 0.00 C ATOM 1278 OG1 THR A 102 18.204 -7.065 5.215 1.00 0.00 O ATOM 1279 CG2 THR A 102 20.509 -6.644 5.801 1.00 0.00 C ATOM 0 H THR A 102 17.298 -7.744 6.951 1.00 0.00 H new ATOM 0 HA THR A 102 19.552 -6.286 8.075 1.00 0.00 H new ATOM 0 HB THR A 102 18.970 -5.179 5.618 1.00 0.00 H new ATOM 0 HG1 THR A 102 18.466 -7.038 4.271 1.00 0.00 H new ATOM 0 HG21 THR A 102 20.774 -6.609 4.744 1.00 0.00 H new ATOM 0 HG22 THR A 102 21.163 -5.976 6.362 1.00 0.00 H new ATOM 0 HG23 THR A 102 20.626 -7.662 6.171 1.00 0.00 H new ATOM 1287 N ASN A 103 16.562 -5.062 7.720 1.00 0.00 N ATOM 1288 CA ASN A 103 15.699 -3.913 7.961 1.00 0.00 C ATOM 1289 C ASN A 103 14.286 -4.365 8.315 1.00 0.00 C ATOM 1290 O ASN A 103 13.840 -5.427 7.882 1.00 0.00 O ATOM 1291 CB ASN A 103 15.672 -3.015 6.712 1.00 0.00 C ATOM 1292 CG ASN A 103 14.532 -2.012 6.721 1.00 0.00 C ATOM 1293 OD1 ASN A 103 14.598 -0.982 7.398 1.00 0.00 O ATOM 1294 ND2 ASN A 103 13.477 -2.308 5.978 1.00 0.00 N ATOM 0 H ASN A 103 16.063 -5.920 7.486 1.00 0.00 H new ATOM 0 HA ASN A 103 16.096 -3.346 8.803 1.00 0.00 H new ATOM 0 HB2 ASN A 103 16.618 -2.479 6.637 1.00 0.00 H new ATOM 0 HB3 ASN A 103 15.589 -3.641 5.824 1.00 0.00 H new ATOM 0 HD21 ASN A 103 12.678 -1.674 5.951 1.00 0.00 H new ATOM 0 HD22 ASN A 103 13.463 -3.170 5.433 1.00 0.00 H new ATOM 1301 N ILE A 104 13.598 -3.572 9.124 1.00 0.00 N ATOM 1302 CA ILE A 104 12.191 -3.800 9.395 1.00 0.00 C ATOM 1303 C ILE A 104 11.394 -2.554 9.052 1.00 0.00 C ATOM 1304 O ILE A 104 11.739 -1.445 9.470 1.00 0.00 O ATOM 1305 CB ILE A 104 11.912 -4.170 10.869 1.00 0.00 C ATOM 1306 CG1 ILE A 104 12.336 -5.614 11.153 1.00 0.00 C ATOM 1307 CG2 ILE A 104 10.430 -3.975 11.180 1.00 0.00 C ATOM 1308 CD1 ILE A 104 13.447 -5.731 12.172 1.00 0.00 C ATOM 0 H ILE A 104 13.995 -2.764 9.604 1.00 0.00 H new ATOM 0 HA ILE A 104 11.889 -4.645 8.776 1.00 0.00 H new ATOM 0 HB ILE A 104 12.497 -3.514 11.513 1.00 0.00 H new ATOM 0 HG12 ILE A 104 11.471 -6.175 11.506 1.00 0.00 H new ATOM 0 HG13 ILE A 104 12.659 -6.079 10.221 1.00 0.00 H new ATOM 0 HG21 ILE A 104 10.239 -4.237 12.221 1.00 0.00 H new ATOM 0 HG22 ILE A 104 10.157 -2.933 11.013 1.00 0.00 H new ATOM 0 HG23 ILE A 104 9.834 -4.615 10.529 1.00 0.00 H new ATOM 0 HD11 ILE A 104 13.694 -6.782 12.322 1.00 0.00 H new ATOM 0 HD12 ILE A 104 14.328 -5.199 11.813 1.00 0.00 H new ATOM 0 HD13 ILE A 104 13.121 -5.297 13.117 1.00 0.00 H new ATOM 1320 N ASP A 105 10.338 -2.740 8.289 1.00 0.00 N ATOM 1321 CA ASP A 105 9.419 -1.667 7.972 1.00 0.00 C ATOM 1322 C ASP A 105 8.212 -1.739 8.896 1.00 0.00 C ATOM 1323 O ASP A 105 7.320 -2.567 8.698 1.00 0.00 O ATOM 1324 CB ASP A 105 8.960 -1.797 6.528 1.00 0.00 C ATOM 1325 CG ASP A 105 9.099 -0.513 5.741 1.00 0.00 C ATOM 1326 OD1 ASP A 105 8.258 0.392 5.914 1.00 0.00 O ATOM 1327 OD2 ASP A 105 10.050 -0.403 4.940 1.00 0.00 O ATOM 0 H ASP A 105 10.092 -3.638 7.871 1.00 0.00 H new ATOM 0 HA ASP A 105 9.923 -0.710 8.107 1.00 0.00 H new ATOM 0 HB2 ASP A 105 9.539 -2.580 6.039 1.00 0.00 H new ATOM 0 HB3 ASP A 105 7.917 -2.114 6.512 1.00 0.00 H new ATOM 1332 N ASN A 106 8.192 -0.885 9.909 1.00 0.00 N ATOM 1333 CA ASN A 106 7.100 -0.877 10.875 1.00 0.00 C ATOM 1334 C ASN A 106 6.486 0.512 10.969 1.00 0.00 C ATOM 1335 O ASN A 106 7.086 1.441 11.517 1.00 0.00 O ATOM 1336 CB ASN A 106 7.594 -1.333 12.253 1.00 0.00 C ATOM 1337 CG ASN A 106 6.596 -1.045 13.362 1.00 0.00 C ATOM 1338 OD1 ASN A 106 5.492 -1.584 13.380 1.00 0.00 O ATOM 1339 ND2 ASN A 106 6.982 -0.186 14.294 1.00 0.00 N ATOM 0 H ASN A 106 8.917 -0.190 10.084 1.00 0.00 H new ATOM 0 HA ASN A 106 6.336 -1.575 10.534 1.00 0.00 H new ATOM 0 HB2 ASN A 106 7.799 -2.403 12.224 1.00 0.00 H new ATOM 0 HB3 ASN A 106 8.536 -0.834 12.480 1.00 0.00 H new ATOM 0 HD21 ASN A 106 6.354 0.049 15.062 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.907 0.240 14.243 1.00 0.00 H new ATOM 1346 N LYS A 107 5.297 0.655 10.406 1.00 0.00 N ATOM 1347 CA LYS A 107 4.588 1.924 10.418 1.00 0.00 C ATOM 1348 C LYS A 107 3.102 1.678 10.635 1.00 0.00 C ATOM 1349 O LYS A 107 2.558 0.676 10.168 1.00 0.00 O ATOM 1350 CB LYS A 107 4.801 2.683 9.101 1.00 0.00 C ATOM 1351 CG LYS A 107 6.197 3.259 8.938 1.00 0.00 C ATOM 1352 CD LYS A 107 7.010 2.453 7.943 1.00 0.00 C ATOM 1353 CE LYS A 107 8.472 2.357 8.352 1.00 0.00 C ATOM 1354 NZ LYS A 107 9.372 2.551 7.182 1.00 0.00 N ATOM 0 H LYS A 107 4.800 -0.099 9.932 1.00 0.00 H new ATOM 0 HA LYS A 107 4.982 2.532 11.232 1.00 0.00 H new ATOM 0 HB2 LYS A 107 4.598 2.009 8.269 1.00 0.00 H new ATOM 0 HB3 LYS A 107 4.075 3.494 9.040 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.129 4.294 8.603 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.704 3.269 9.903 1.00 0.00 H new ATOM 0 HD2 LYS A 107 6.590 1.451 7.858 1.00 0.00 H new ATOM 0 HD3 LYS A 107 6.938 2.913 6.958 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.690 3.109 9.111 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.663 1.383 8.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.353 2.347 7.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.089 1.907 6.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 9.304 3.534 6.851 1.00 0.00 H new ATOM 1368 N PRO A 108 2.433 2.579 11.363 1.00 0.00 N ATOM 1369 CA PRO A 108 0.995 2.495 11.575 1.00 0.00 C ATOM 1370 C PRO A 108 0.226 2.914 10.326 1.00 0.00 C ATOM 1371 O PRO A 108 0.761 3.598 9.450 1.00 0.00 O ATOM 1372 CB PRO A 108 0.745 3.475 12.721 1.00 0.00 C ATOM 1373 CG PRO A 108 1.849 4.470 12.624 1.00 0.00 C ATOM 1374 CD PRO A 108 3.031 3.745 12.037 1.00 0.00 C ATOM 0 HA PRO A 108 0.662 1.481 11.798 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -0.229 3.955 12.625 1.00 0.00 H new ATOM 0 HB3 PRO A 108 0.756 2.966 13.685 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.558 5.311 11.994 1.00 0.00 H new ATOM 0 HG3 PRO A 108 2.092 4.876 13.606 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.578 4.375 11.335 1.00 0.00 H new ATOM 0 HD3 PRO A 108 3.737 3.441 12.810 1.00 0.00 H new ATOM 1382 N ALA A 109 -1.023 2.493 10.250 1.00 0.00 N ATOM 1383 CA ALA A 109 -1.874 2.812 9.114 1.00 0.00 C ATOM 1384 C ALA A 109 -2.175 4.306 9.043 1.00 0.00 C ATOM 1385 O ALA A 109 -2.301 4.873 7.959 1.00 0.00 O ATOM 1386 CB ALA A 109 -3.164 2.027 9.204 1.00 0.00 C ATOM 0 H ALA A 109 -1.475 1.925 10.966 1.00 0.00 H new ATOM 0 HA ALA A 109 -1.341 2.536 8.204 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.798 2.270 8.351 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -2.942 0.960 9.199 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.683 2.285 10.127 1.00 0.00 H new ATOM 1392 N LEU A 110 -2.304 4.927 10.206 1.00 0.00 N ATOM 1393 CA LEU A 110 -2.555 6.356 10.287 1.00 0.00 C ATOM 1394 C LEU A 110 -1.256 7.103 10.558 1.00 0.00 C ATOM 1395 O LEU A 110 -0.636 6.900 11.604 1.00 0.00 O ATOM 1396 CB LEU A 110 -3.569 6.654 11.386 1.00 0.00 C ATOM 1397 CG LEU A 110 -4.826 7.373 10.906 1.00 0.00 C ATOM 1398 CD1 LEU A 110 -6.061 6.541 11.202 1.00 0.00 C ATOM 1399 CD2 LEU A 110 -4.929 8.742 11.551 1.00 0.00 C ATOM 0 H LEU A 110 -2.238 4.460 11.110 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.963 6.692 9.334 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.860 5.716 11.859 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -3.088 7.262 12.152 1.00 0.00 H new ATOM 0 HG LEU A 110 -4.760 7.508 9.826 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.948 7.069 10.853 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -5.985 5.582 10.690 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -6.138 6.373 12.276 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -5.831 9.243 11.199 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.975 8.631 12.634 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.056 9.337 11.284 1.00 0.00 H new