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 80 GLN : amide:sc= -3.09! K(o=-4.4!,f=-7.4) USER MOD Set 1.2: A 88 GLN : amide:sc= -0.646! K(o=-4.4!,f=-5.2) USER MOD Set 1.3: A 89 GLN : amide:sc= -0.665 K(o=-4.4,f=-7.4!) USER MOD Set 2.1: A 61 THR OG1 : rot -62:sc= -0.229 USER MOD Set 2.2: A 75 TYR OH : rot 30:sc= 0.801 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0576 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 72:sc= 0.869 USER MOD Single : A 45 LYS NZ :NH3+ -117:sc= 1.3 (180deg=-0.584) USER MOD Single : A 50 MET CE :methyl -171:sc= 0 (180deg=-0.107) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0214 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= -3.06! C(o=-3.1!,f=-6.5!) USER MOD Single : A 54 GLN : amide:sc= -0.745! C(o=-0.74!,f=-0.73!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.237 X(o=-0.24,f=-0.043) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.915! C(o=-0.91!,f=-1.6!) USER MOD Single : A 83 HIS : no HE2:sc= 0.657 K(o=0.66,f=-5.2!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 77:sc= 1.18 USER MOD Single : A 96 ASN : amide:sc= -0.129 K(o=-0.13,f=-2.2) USER MOD Single : A 97 SER OG : rot 180:sc= 0.0812 USER MOD Single : A 98 SER OG : rot 180:sc= 0.125 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0976 USER MOD Single : A 103 ASN : amide:sc= -0.0414 X(o=-0.041,f=-0.041) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 107 LYS NZ :NH3+ -120:sc= 1.21 (180deg=0.21) USER MOD ----------------------------------------------------------------- ATOM 257 N ASN A 36 -5.782 -16.883 15.356 1.00 0.00 N ATOM 258 CA ASN A 36 -6.057 -15.455 15.164 1.00 0.00 C ATOM 259 C ASN A 36 -5.138 -14.869 14.091 1.00 0.00 C ATOM 260 O ASN A 36 -5.442 -14.949 12.899 1.00 0.00 O ATOM 261 CB ASN A 36 -5.917 -14.672 16.479 1.00 0.00 C ATOM 262 CG ASN A 36 -6.460 -13.258 16.384 1.00 0.00 C ATOM 263 OD1 ASN A 36 -7.582 -13.036 15.920 1.00 0.00 O ATOM 264 ND2 ASN A 36 -5.670 -12.291 16.826 1.00 0.00 N ATOM 0 HA ASN A 36 -7.090 -15.360 14.829 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.442 -15.205 17.271 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.865 -14.634 16.763 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.982 -11.321 16.790 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.749 -12.517 17.202 1.00 0.00 H new ATOM 271 N TYR A 37 -4.018 -14.298 14.525 1.00 0.00 N ATOM 272 CA TYR A 37 -3.029 -13.683 13.643 1.00 0.00 C ATOM 273 C TYR A 37 -1.829 -13.282 14.482 1.00 0.00 C ATOM 274 O TYR A 37 -1.734 -13.657 15.648 1.00 0.00 O ATOM 275 CB TYR A 37 -3.594 -12.440 12.935 1.00 0.00 C ATOM 276 CG TYR A 37 -3.606 -12.529 11.418 1.00 0.00 C ATOM 277 CD1 TYR A 37 -3.809 -13.738 10.765 1.00 0.00 C ATOM 278 CD2 TYR A 37 -3.416 -11.393 10.641 1.00 0.00 C ATOM 279 CE1 TYR A 37 -3.823 -13.814 9.384 1.00 0.00 C ATOM 280 CE2 TYR A 37 -3.429 -11.459 9.259 1.00 0.00 C ATOM 281 CZ TYR A 37 -3.634 -12.670 8.636 1.00 0.00 C ATOM 282 OH TYR A 37 -3.651 -12.742 7.258 1.00 0.00 O ATOM 0 H TYR A 37 -3.768 -14.248 15.513 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.748 -14.403 12.874 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -4.612 -12.270 13.284 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.007 -11.571 13.231 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -3.959 -14.636 11.347 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.255 -10.441 11.125 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.981 -14.763 8.894 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -3.279 -10.565 8.672 1.00 0.00 H new ATOM 0 HH TYR A 37 -3.504 -11.849 6.882 1.00 0.00 H new ATOM 292 N LEU A 38 -0.927 -12.517 13.895 1.00 0.00 N ATOM 293 CA LEU A 38 0.197 -11.969 14.632 1.00 0.00 C ATOM 294 C LEU A 38 -0.217 -10.652 15.278 1.00 0.00 C ATOM 295 O LEU A 38 -1.196 -10.031 14.852 1.00 0.00 O ATOM 296 CB LEU A 38 1.387 -11.747 13.693 1.00 0.00 C ATOM 297 CG LEU A 38 2.484 -12.820 13.730 1.00 0.00 C ATOM 298 CD1 LEU A 38 3.855 -12.167 13.758 1.00 0.00 C ATOM 299 CD2 LEU A 38 2.316 -13.747 14.930 1.00 0.00 C ATOM 0 H LEU A 38 -0.951 -12.261 12.908 1.00 0.00 H new ATOM 0 HA LEU A 38 0.497 -12.673 15.409 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.011 -11.676 12.673 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.839 -10.785 13.934 1.00 0.00 H new ATOM 0 HG LEU A 38 2.394 -13.423 12.827 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.625 -12.938 13.784 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.985 -11.555 12.866 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.941 -11.539 14.645 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.109 -14.495 14.926 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.371 -13.165 15.850 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.348 -14.245 14.873 1.00 0.00 H new ATOM 311 N THR A 39 0.505 -10.238 16.305 1.00 0.00 N ATOM 312 CA THR A 39 0.259 -8.952 16.934 1.00 0.00 C ATOM 313 C THR A 39 1.552 -8.140 17.022 1.00 0.00 C ATOM 314 O THR A 39 2.640 -8.658 16.753 1.00 0.00 O ATOM 315 CB THR A 39 -0.379 -9.108 18.335 1.00 0.00 C ATOM 316 OG1 THR A 39 -0.843 -7.836 18.803 1.00 0.00 O ATOM 317 CG2 THR A 39 0.602 -9.694 19.341 1.00 0.00 C ATOM 0 H THR A 39 1.267 -10.774 16.721 1.00 0.00 H new ATOM 0 HA THR A 39 -0.453 -8.414 16.308 1.00 0.00 H new ATOM 0 HB THR A 39 -1.217 -9.799 18.241 1.00 0.00 H new ATOM 0 HG1 THR A 39 -1.247 -7.941 19.689 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.115 -9.787 20.312 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.927 -10.678 19.002 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.467 -9.037 19.431 1.00 0.00 H new ATOM 325 N ALA A 40 1.431 -6.871 17.399 1.00 0.00 N ATOM 326 CA ALA A 40 2.578 -5.974 17.457 1.00 0.00 C ATOM 327 C ALA A 40 3.578 -6.427 18.514 1.00 0.00 C ATOM 328 O ALA A 40 4.764 -6.114 18.433 1.00 0.00 O ATOM 329 CB ALA A 40 2.119 -4.551 17.729 1.00 0.00 C ATOM 0 H ALA A 40 0.547 -6.440 17.670 1.00 0.00 H new ATOM 0 HA ALA A 40 3.081 -6.001 16.490 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.985 -3.891 17.770 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.452 -4.225 16.931 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.590 -4.515 18.681 1.00 0.00 H new ATOM 335 N ASN A 41 3.090 -7.181 19.495 1.00 0.00 N ATOM 336 CA ASN A 41 3.936 -7.708 20.563 1.00 0.00 C ATOM 337 C ASN A 41 4.957 -8.703 20.012 1.00 0.00 C ATOM 338 O ASN A 41 6.063 -8.834 20.539 1.00 0.00 O ATOM 339 CB ASN A 41 3.074 -8.384 21.634 1.00 0.00 C ATOM 340 CG ASN A 41 3.896 -9.053 22.720 1.00 0.00 C ATOM 341 OD1 ASN A 41 4.667 -8.401 23.421 1.00 0.00 O ATOM 342 ND2 ASN A 41 3.739 -10.362 22.867 1.00 0.00 N ATOM 0 H ASN A 41 2.107 -7.442 19.573 1.00 0.00 H new ATOM 0 HA ASN A 41 4.476 -6.874 21.011 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.419 -7.641 22.088 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.433 -9.128 21.161 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.268 -10.862 23.581 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.089 -10.868 22.266 1.00 0.00 H new ATOM 349 N ASP A 42 4.588 -9.391 18.939 1.00 0.00 N ATOM 350 CA ASP A 42 5.461 -10.389 18.331 1.00 0.00 C ATOM 351 C ASP A 42 6.583 -9.717 17.558 1.00 0.00 C ATOM 352 O ASP A 42 7.697 -10.234 17.478 1.00 0.00 O ATOM 353 CB ASP A 42 4.665 -11.312 17.403 1.00 0.00 C ATOM 354 CG ASP A 42 3.509 -11.991 18.110 1.00 0.00 C ATOM 355 OD1 ASP A 42 3.761 -12.776 19.052 1.00 0.00 O ATOM 356 OD2 ASP A 42 2.348 -11.734 17.735 1.00 0.00 O ATOM 0 H ASP A 42 3.689 -9.277 18.471 1.00 0.00 H new ATOM 0 HA ASP A 42 5.896 -10.989 19.130 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.283 -10.734 16.562 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.331 -12.071 16.992 1.00 0.00 H new ATOM 361 N VAL A 43 6.291 -8.545 17.016 1.00 0.00 N ATOM 362 CA VAL A 43 7.259 -7.804 16.218 1.00 0.00 C ATOM 363 C VAL A 43 8.416 -7.298 17.080 1.00 0.00 C ATOM 364 O VAL A 43 9.532 -7.125 16.597 1.00 0.00 O ATOM 365 CB VAL A 43 6.601 -6.610 15.498 1.00 0.00 C ATOM 366 CG1 VAL A 43 7.521 -6.054 14.421 1.00 0.00 C ATOM 367 CG2 VAL A 43 5.263 -7.016 14.898 1.00 0.00 C ATOM 0 H VAL A 43 5.387 -8.083 17.114 1.00 0.00 H new ATOM 0 HA VAL A 43 7.647 -8.496 15.471 1.00 0.00 H new ATOM 0 HB VAL A 43 6.425 -5.826 16.235 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.036 -5.213 13.927 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.453 -5.719 14.876 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.734 -6.832 13.688 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.815 -6.159 14.395 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.416 -7.821 14.179 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.598 -7.359 15.690 1.00 0.00 H new ATOM 377 N SER A 44 8.154 -7.073 18.358 1.00 0.00 N ATOM 378 CA SER A 44 9.187 -6.593 19.268 1.00 0.00 C ATOM 379 C SER A 44 10.148 -7.718 19.661 1.00 0.00 C ATOM 380 O SER A 44 11.212 -7.468 20.235 1.00 0.00 O ATOM 381 CB SER A 44 8.540 -5.992 20.513 1.00 0.00 C ATOM 382 OG SER A 44 7.135 -6.181 20.489 1.00 0.00 O ATOM 0 H SER A 44 7.240 -7.214 18.789 1.00 0.00 H new ATOM 0 HA SER A 44 9.765 -5.825 18.754 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.959 -6.455 21.406 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.768 -4.928 20.569 1.00 0.00 H new ATOM 0 HG SER A 44 6.929 -7.125 20.654 1.00 0.00 H new ATOM 388 N LYS A 45 9.775 -8.954 19.345 1.00 0.00 N ATOM 389 CA LYS A 45 10.592 -10.110 19.690 1.00 0.00 C ATOM 390 C LYS A 45 11.762 -10.250 18.727 1.00 0.00 C ATOM 391 O LYS A 45 12.903 -10.449 19.149 1.00 0.00 O ATOM 392 CB LYS A 45 9.751 -11.390 19.678 1.00 0.00 C ATOM 393 CG LYS A 45 8.812 -11.512 20.867 1.00 0.00 C ATOM 394 CD LYS A 45 7.801 -12.630 20.665 1.00 0.00 C ATOM 395 CE LYS A 45 6.408 -12.197 21.084 1.00 0.00 C ATOM 396 NZ LYS A 45 5.437 -13.320 21.025 1.00 0.00 N ATOM 0 H LYS A 45 8.912 -9.180 18.851 1.00 0.00 H new ATOM 0 HA LYS A 45 10.983 -9.956 20.696 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.166 -11.422 18.759 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.417 -12.252 19.662 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.391 -11.702 21.771 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.288 -10.568 21.016 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.791 -12.929 19.617 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.102 -13.504 21.243 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.441 -11.799 22.098 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.069 -11.389 20.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.701 -13.106 20.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.932 -14.193 20.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.997 -13.448 21.959 1.00 0.00 H new ATOM 410 N ILE A 46 11.481 -10.128 17.436 1.00 0.00 N ATOM 411 CA ILE A 46 12.512 -10.279 16.420 1.00 0.00 C ATOM 412 C ILE A 46 13.486 -9.103 16.450 1.00 0.00 C ATOM 413 O ILE A 46 13.139 -8.004 16.887 1.00 0.00 O ATOM 414 CB ILE A 46 11.915 -10.427 15.007 1.00 0.00 C ATOM 415 CG1 ILE A 46 10.943 -9.290 14.700 1.00 0.00 C ATOM 416 CG2 ILE A 46 11.216 -11.770 14.873 1.00 0.00 C ATOM 417 CD1 ILE A 46 11.387 -8.415 13.551 1.00 0.00 C ATOM 0 H ILE A 46 10.551 -9.926 17.070 1.00 0.00 H new ATOM 0 HA ILE A 46 13.052 -11.196 16.655 1.00 0.00 H new ATOM 0 HB ILE A 46 12.730 -10.378 14.285 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.964 -9.711 14.469 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.823 -8.674 15.591 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.798 -11.864 13.871 1.00 0.00 H new ATOM 0 HG22 ILE A 46 11.934 -12.572 15.044 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.414 -11.838 15.608 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.651 -7.628 13.387 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.352 -7.966 13.787 1.00 0.00 H new ATOM 0 HD13 ILE A 46 11.479 -9.019 12.648 1.00 0.00 H new ATOM 429 N ARG A 47 14.705 -9.339 15.989 1.00 0.00 N ATOM 430 CA ARG A 47 15.758 -8.335 16.070 1.00 0.00 C ATOM 431 C ARG A 47 16.334 -8.040 14.695 1.00 0.00 C ATOM 432 O ARG A 47 16.242 -8.860 13.783 1.00 0.00 O ATOM 433 CB ARG A 47 16.887 -8.799 17.000 1.00 0.00 C ATOM 434 CG ARG A 47 16.450 -9.792 18.065 1.00 0.00 C ATOM 435 CD ARG A 47 16.341 -9.136 19.432 1.00 0.00 C ATOM 436 NE ARG A 47 15.084 -8.404 19.588 1.00 0.00 N ATOM 437 CZ ARG A 47 14.997 -7.074 19.675 1.00 0.00 C ATOM 438 NH1 ARG A 47 16.096 -6.328 19.625 1.00 0.00 N ATOM 439 NH2 ARG A 47 13.813 -6.490 19.812 1.00 0.00 N ATOM 0 H ARG A 47 14.991 -10.217 15.555 1.00 0.00 H new ATOM 0 HA ARG A 47 15.311 -7.426 16.474 1.00 0.00 H new ATOM 0 HB2 ARG A 47 17.675 -9.252 16.398 1.00 0.00 H new ATOM 0 HB3 ARG A 47 17.321 -7.927 17.489 1.00 0.00 H new ATOM 0 HG2 ARG A 47 15.487 -10.222 17.789 1.00 0.00 H new ATOM 0 HG3 ARG A 47 17.164 -10.614 18.111 1.00 0.00 H new ATOM 0 HD2 ARG A 47 16.416 -9.898 20.207 1.00 0.00 H new ATOM 0 HD3 ARG A 47 17.179 -8.453 19.575 1.00 0.00 H new ATOM 0 HE ARG A 47 14.219 -8.943 19.633 1.00 0.00 H new ATOM 0 HH11 ARG A 47 17.009 -6.771 19.520 1.00 0.00 H new ATOM 0 HH12 ARG A 47 16.027 -5.313 19.692 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.966 -7.057 19.851 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.750 -5.474 19.878 1.00 0.00 H new ATOM 453 N VAL A 48 16.922 -6.865 14.542 1.00 0.00 N ATOM 454 CA VAL A 48 17.658 -6.549 13.328 1.00 0.00 C ATOM 455 C VAL A 48 18.916 -7.404 13.259 1.00 0.00 C ATOM 456 O VAL A 48 19.652 -7.527 14.238 1.00 0.00 O ATOM 457 CB VAL A 48 18.056 -5.060 13.241 1.00 0.00 C ATOM 458 CG1 VAL A 48 17.188 -4.335 12.226 1.00 0.00 C ATOM 459 CG2 VAL A 48 17.975 -4.381 14.603 1.00 0.00 C ATOM 0 H VAL A 48 16.905 -6.119 15.237 1.00 0.00 H new ATOM 0 HA VAL A 48 16.996 -6.762 12.489 1.00 0.00 H new ATOM 0 HB VAL A 48 19.093 -5.011 12.909 1.00 0.00 H new ATOM 0 HG11 VAL A 48 17.483 -3.287 12.178 1.00 0.00 H new ATOM 0 HG12 VAL A 48 17.315 -4.793 11.245 1.00 0.00 H new ATOM 0 HG13 VAL A 48 16.142 -4.405 12.526 1.00 0.00 H new ATOM 0 HG21 VAL A 48 18.262 -3.334 14.505 1.00 0.00 H new ATOM 0 HG22 VAL A 48 16.955 -4.444 14.981 1.00 0.00 H new ATOM 0 HG23 VAL A 48 18.651 -4.879 15.298 1.00 0.00 H new ATOM 469 N GLY A 49 19.143 -8.015 12.109 1.00 0.00 N ATOM 470 CA GLY A 49 20.272 -8.906 11.950 1.00 0.00 C ATOM 471 C GLY A 49 19.960 -10.313 12.414 1.00 0.00 C ATOM 472 O GLY A 49 20.837 -11.177 12.427 1.00 0.00 O ATOM 0 H GLY A 49 18.562 -7.909 11.277 1.00 0.00 H new ATOM 0 HA2 GLY A 49 20.570 -8.929 10.902 1.00 0.00 H new ATOM 0 HA3 GLY A 49 21.120 -8.519 12.514 1.00 0.00 H new ATOM 476 N MET A 50 18.711 -10.537 12.805 1.00 0.00 N ATOM 477 CA MET A 50 18.251 -11.865 13.171 1.00 0.00 C ATOM 478 C MET A 50 18.123 -12.726 11.923 1.00 0.00 C ATOM 479 O MET A 50 17.724 -12.232 10.868 1.00 0.00 O ATOM 480 CB MET A 50 16.911 -11.778 13.901 1.00 0.00 C ATOM 481 CG MET A 50 16.908 -12.483 15.243 1.00 0.00 C ATOM 482 SD MET A 50 15.245 -12.852 15.833 1.00 0.00 S ATOM 483 CE MET A 50 15.619 -13.687 17.374 1.00 0.00 C ATOM 0 H MET A 50 17.998 -9.811 12.876 1.00 0.00 H new ATOM 0 HA MET A 50 18.978 -12.323 13.842 1.00 0.00 H new ATOM 0 HB2 MET A 50 16.654 -10.729 14.050 1.00 0.00 H new ATOM 0 HB3 MET A 50 16.134 -12.210 13.271 1.00 0.00 H new ATOM 0 HG2 MET A 50 17.474 -13.411 15.162 1.00 0.00 H new ATOM 0 HG3 MET A 50 17.419 -11.860 15.977 1.00 0.00 H new ATOM 0 HE1 MET A 50 14.707 -14.120 17.784 1.00 0.00 H new ATOM 0 HE2 MET A 50 16.346 -14.478 17.192 1.00 0.00 H new ATOM 0 HE3 MET A 50 16.032 -12.971 18.085 1.00 0.00 H new ATOM 493 N THR A 51 18.469 -13.999 12.039 1.00 0.00 N ATOM 494 CA THR A 51 18.461 -14.893 10.898 1.00 0.00 C ATOM 495 C THR A 51 17.063 -15.461 10.653 1.00 0.00 C ATOM 496 O THR A 51 16.270 -15.625 11.587 1.00 0.00 O ATOM 497 CB THR A 51 19.470 -16.040 11.088 1.00 0.00 C ATOM 498 OG1 THR A 51 20.408 -15.700 12.121 1.00 0.00 O ATOM 499 CG2 THR A 51 20.219 -16.322 9.798 1.00 0.00 C ATOM 0 H THR A 51 18.759 -14.434 12.915 1.00 0.00 H new ATOM 0 HA THR A 51 18.756 -14.311 10.025 1.00 0.00 H new ATOM 0 HB THR A 51 18.918 -16.935 11.374 1.00 0.00 H new ATOM 0 HG1 THR A 51 21.046 -16.435 12.238 1.00 0.00 H new ATOM 0 HG21 THR A 51 20.926 -17.136 9.958 1.00 0.00 H new ATOM 0 HG22 THR A 51 19.510 -16.605 9.020 1.00 0.00 H new ATOM 0 HG23 THR A 51 20.760 -15.428 9.488 1.00 0.00 H new ATOM 507 N GLN A 52 16.791 -15.768 9.390 1.00 0.00 N ATOM 508 CA GLN A 52 15.463 -16.164 8.919 1.00 0.00 C ATOM 509 C GLN A 52 14.847 -17.292 9.745 1.00 0.00 C ATOM 510 O GLN A 52 13.635 -17.311 9.962 1.00 0.00 O ATOM 511 CB GLN A 52 15.535 -16.581 7.449 1.00 0.00 C ATOM 512 CG GLN A 52 16.737 -17.451 7.113 1.00 0.00 C ATOM 513 CD GLN A 52 16.442 -18.427 5.996 1.00 0.00 C ATOM 514 OE1 GLN A 52 16.020 -19.554 6.241 1.00 0.00 O ATOM 515 NE2 GLN A 52 16.657 -18.001 4.761 1.00 0.00 N ATOM 0 H GLN A 52 17.494 -15.750 8.652 1.00 0.00 H new ATOM 0 HA GLN A 52 14.816 -15.295 9.035 1.00 0.00 H new ATOM 0 HB2 GLN A 52 14.624 -17.121 7.190 1.00 0.00 H new ATOM 0 HB3 GLN A 52 15.562 -15.685 6.828 1.00 0.00 H new ATOM 0 HG2 GLN A 52 17.574 -16.815 6.826 1.00 0.00 H new ATOM 0 HG3 GLN A 52 17.045 -18.001 8.002 1.00 0.00 H new ATOM 0 HE21 GLN A 52 17.008 -17.057 4.601 1.00 0.00 H new ATOM 0 HE22 GLN A 52 16.471 -18.617 3.969 1.00 0.00 H new ATOM 524 N GLN A 53 15.675 -18.217 10.214 1.00 0.00 N ATOM 525 CA GLN A 53 15.180 -19.357 10.979 1.00 0.00 C ATOM 526 C GLN A 53 14.566 -18.882 12.287 1.00 0.00 C ATOM 527 O GLN A 53 13.431 -19.224 12.611 1.00 0.00 O ATOM 528 CB GLN A 53 16.300 -20.364 11.262 1.00 0.00 C ATOM 529 CG GLN A 53 17.353 -20.438 10.168 1.00 0.00 C ATOM 530 CD GLN A 53 18.600 -19.650 10.511 1.00 0.00 C ATOM 531 OE1 GLN A 53 18.643 -18.941 11.517 1.00 0.00 O ATOM 532 NE2 GLN A 53 19.619 -19.763 9.678 1.00 0.00 N ATOM 0 H GLN A 53 16.686 -18.202 10.080 1.00 0.00 H new ATOM 0 HA GLN A 53 14.417 -19.857 10.383 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.785 -20.099 12.202 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.861 -21.352 11.397 1.00 0.00 H new ATOM 0 HG2 GLN A 53 17.621 -21.480 9.996 1.00 0.00 H new ATOM 0 HG3 GLN A 53 16.932 -20.059 9.237 1.00 0.00 H new ATOM 0 HE21 GLN A 53 19.542 -20.362 8.856 1.00 0.00 H new ATOM 0 HE22 GLN A 53 20.483 -19.252 9.857 1.00 0.00 H new ATOM 541 N GLN A 54 15.308 -18.059 13.014 1.00 0.00 N ATOM 542 CA GLN A 54 14.854 -17.547 14.298 1.00 0.00 C ATOM 543 C GLN A 54 13.684 -16.588 14.121 1.00 0.00 C ATOM 544 O GLN A 54 12.761 -16.562 14.938 1.00 0.00 O ATOM 545 CB GLN A 54 16.009 -16.855 15.024 1.00 0.00 C ATOM 546 CG GLN A 54 16.722 -17.752 16.026 1.00 0.00 C ATOM 547 CD GLN A 54 15.818 -18.835 16.581 1.00 0.00 C ATOM 548 OE1 GLN A 54 14.965 -18.569 17.428 1.00 0.00 O ATOM 549 NE2 GLN A 54 15.996 -20.056 16.108 1.00 0.00 N ATOM 0 H GLN A 54 16.232 -17.730 12.734 1.00 0.00 H new ATOM 0 HA GLN A 54 14.510 -18.387 14.901 1.00 0.00 H new ATOM 0 HB2 GLN A 54 16.731 -16.501 14.288 1.00 0.00 H new ATOM 0 HB3 GLN A 54 15.627 -15.976 15.543 1.00 0.00 H new ATOM 0 HG2 GLN A 54 17.585 -18.214 15.546 1.00 0.00 H new ATOM 0 HG3 GLN A 54 17.102 -17.144 16.847 1.00 0.00 H new ATOM 0 HE21 GLN A 54 16.715 -20.231 15.406 1.00 0.00 H new ATOM 0 HE22 GLN A 54 15.414 -20.823 16.445 1.00 0.00 H new ATOM 558 N VAL A 55 13.725 -15.806 13.050 1.00 0.00 N ATOM 559 CA VAL A 55 12.631 -14.902 12.724 1.00 0.00 C ATOM 560 C VAL A 55 11.338 -15.687 12.523 1.00 0.00 C ATOM 561 O VAL A 55 10.299 -15.349 13.094 1.00 0.00 O ATOM 562 CB VAL A 55 12.936 -14.079 11.453 1.00 0.00 C ATOM 563 CG1 VAL A 55 11.767 -13.169 11.101 1.00 0.00 C ATOM 564 CG2 VAL A 55 14.209 -13.266 11.635 1.00 0.00 C ATOM 0 H VAL A 55 14.504 -15.780 12.393 1.00 0.00 H new ATOM 0 HA VAL A 55 12.515 -14.213 13.560 1.00 0.00 H new ATOM 0 HB VAL A 55 13.085 -14.775 10.627 1.00 0.00 H new ATOM 0 HG11 VAL A 55 12.006 -12.600 10.203 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.877 -13.773 10.922 1.00 0.00 H new ATOM 0 HG13 VAL A 55 11.579 -12.482 11.926 1.00 0.00 H new ATOM 0 HG21 VAL A 55 14.407 -12.693 10.729 1.00 0.00 H new ATOM 0 HG22 VAL A 55 14.088 -12.584 12.477 1.00 0.00 H new ATOM 0 HG23 VAL A 55 15.045 -13.938 11.830 1.00 0.00 H new ATOM 574 N ALA A 56 11.418 -16.762 11.747 1.00 0.00 N ATOM 575 CA ALA A 56 10.253 -17.596 11.482 1.00 0.00 C ATOM 576 C ALA A 56 9.854 -18.369 12.731 1.00 0.00 C ATOM 577 O ALA A 56 8.684 -18.704 12.922 1.00 0.00 O ATOM 578 CB ALA A 56 10.525 -18.550 10.328 1.00 0.00 C ATOM 0 H ALA A 56 12.275 -17.075 11.292 1.00 0.00 H new ATOM 0 HA ALA A 56 9.425 -16.946 11.200 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.642 -19.163 10.147 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.760 -17.978 9.430 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.368 -19.193 10.579 1.00 0.00 H new ATOM 584 N TYR A 57 10.836 -18.641 13.580 1.00 0.00 N ATOM 585 CA TYR A 57 10.601 -19.351 14.827 1.00 0.00 C ATOM 586 C TYR A 57 9.925 -18.449 15.855 1.00 0.00 C ATOM 587 O TYR A 57 9.271 -18.925 16.781 1.00 0.00 O ATOM 588 CB TYR A 57 11.916 -19.893 15.382 1.00 0.00 C ATOM 589 CG TYR A 57 12.089 -21.372 15.138 1.00 0.00 C ATOM 590 CD1 TYR A 57 11.257 -22.289 15.758 1.00 0.00 C ATOM 591 CD2 TYR A 57 13.078 -21.848 14.286 1.00 0.00 C ATOM 592 CE1 TYR A 57 11.400 -23.644 15.537 1.00 0.00 C ATOM 593 CE2 TYR A 57 13.228 -23.202 14.056 1.00 0.00 C ATOM 594 CZ TYR A 57 12.389 -24.094 14.686 1.00 0.00 C ATOM 595 OH TYR A 57 12.532 -25.447 14.464 1.00 0.00 O ATOM 0 H TYR A 57 11.809 -18.378 13.425 1.00 0.00 H new ATOM 0 HA TYR A 57 9.932 -20.187 14.620 1.00 0.00 H new ATOM 0 HB2 TYR A 57 12.747 -19.355 14.926 1.00 0.00 H new ATOM 0 HB3 TYR A 57 11.960 -19.699 16.454 1.00 0.00 H new ATOM 0 HD1 TYR A 57 10.484 -21.938 16.425 1.00 0.00 H new ATOM 0 HD2 TYR A 57 13.740 -21.149 13.796 1.00 0.00 H new ATOM 0 HE1 TYR A 57 10.743 -24.347 16.027 1.00 0.00 H new ATOM 0 HE2 TYR A 57 13.997 -23.558 13.387 1.00 0.00 H new ATOM 0 HH TYR A 57 13.272 -25.600 13.840 1.00 0.00 H new ATOM 605 N ALA A 58 10.102 -17.147 15.692 1.00 0.00 N ATOM 606 CA ALA A 58 9.486 -16.178 16.591 1.00 0.00 C ATOM 607 C ALA A 58 8.118 -15.732 16.082 1.00 0.00 C ATOM 608 O ALA A 58 7.169 -15.604 16.858 1.00 0.00 O ATOM 609 CB ALA A 58 10.394 -14.971 16.782 1.00 0.00 C ATOM 0 H ALA A 58 10.665 -16.736 14.948 1.00 0.00 H new ATOM 0 HA ALA A 58 9.343 -16.669 17.554 1.00 0.00 H new ATOM 0 HB1 ALA A 58 9.917 -14.260 17.456 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.344 -15.294 17.209 1.00 0.00 H new ATOM 0 HB3 ALA A 58 10.573 -14.494 15.818 1.00 0.00 H new ATOM 615 N LEU A 59 8.018 -15.498 14.779 1.00 0.00 N ATOM 616 CA LEU A 59 6.777 -15.004 14.186 1.00 0.00 C ATOM 617 C LEU A 59 5.820 -16.146 13.856 1.00 0.00 C ATOM 618 O LEU A 59 4.655 -15.917 13.529 1.00 0.00 O ATOM 619 CB LEU A 59 7.078 -14.191 12.923 1.00 0.00 C ATOM 620 CG LEU A 59 7.994 -12.980 13.129 1.00 0.00 C ATOM 621 CD1 LEU A 59 8.160 -12.209 11.831 1.00 0.00 C ATOM 622 CD2 LEU A 59 7.446 -12.070 14.219 1.00 0.00 C ATOM 0 H LEU A 59 8.777 -15.641 14.113 1.00 0.00 H new ATOM 0 HA LEU A 59 6.293 -14.361 14.921 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.535 -14.851 12.186 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.135 -13.845 12.500 1.00 0.00 H new ATOM 0 HG LEU A 59 8.972 -13.343 13.444 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.814 -11.353 11.997 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.600 -12.860 11.075 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.186 -11.860 11.488 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.111 -11.217 14.349 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.455 -11.717 13.934 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.379 -12.624 15.155 1.00 0.00 H new ATOM 634 N GLY A 60 6.317 -17.374 13.932 1.00 0.00 N ATOM 635 CA GLY A 60 5.481 -18.533 13.675 1.00 0.00 C ATOM 636 C GLY A 60 5.133 -18.680 12.209 1.00 0.00 C ATOM 637 O GLY A 60 3.996 -19.006 11.863 1.00 0.00 O ATOM 0 H GLY A 60 7.286 -17.589 14.167 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.996 -19.432 14.015 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.563 -18.452 14.257 1.00 0.00 H new ATOM 641 N THR A 61 6.111 -18.430 11.351 1.00 0.00 N ATOM 642 CA THR A 61 5.917 -18.516 9.914 1.00 0.00 C ATOM 643 C THR A 61 5.684 -19.960 9.473 1.00 0.00 C ATOM 644 O THR A 61 6.451 -20.856 9.833 1.00 0.00 O ATOM 645 CB THR A 61 7.134 -17.933 9.175 1.00 0.00 C ATOM 646 OG1 THR A 61 7.643 -16.812 9.910 1.00 0.00 O ATOM 647 CG2 THR A 61 6.764 -17.494 7.766 1.00 0.00 C ATOM 0 H THR A 61 7.055 -18.164 11.630 1.00 0.00 H new ATOM 0 HA THR A 61 5.031 -17.934 9.661 1.00 0.00 H new ATOM 0 HB THR A 61 7.896 -18.709 9.100 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.957 -16.114 9.959 1.00 0.00 H new ATOM 0 HG21 THR A 61 7.644 -17.086 7.269 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.394 -18.351 7.203 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.988 -16.730 7.815 1.00 0.00 H new ATOM 655 N PRO A 62 4.609 -20.203 8.706 1.00 0.00 N ATOM 656 CA PRO A 62 4.283 -21.531 8.175 1.00 0.00 C ATOM 657 C PRO A 62 5.307 -22.012 7.149 1.00 0.00 C ATOM 658 O PRO A 62 6.231 -21.279 6.788 1.00 0.00 O ATOM 659 CB PRO A 62 2.914 -21.337 7.507 1.00 0.00 C ATOM 660 CG PRO A 62 2.399 -20.041 8.032 1.00 0.00 C ATOM 661 CD PRO A 62 3.610 -19.202 8.306 1.00 0.00 C ATOM 0 HA PRO A 62 4.282 -22.287 8.960 1.00 0.00 H new ATOM 0 HB2 PRO A 62 3.006 -21.312 6.421 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.238 -22.156 7.751 1.00 0.00 H new ATOM 0 HG2 PRO A 62 1.744 -19.558 7.307 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.814 -20.191 8.939 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.925 -18.645 7.424 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.428 -18.473 9.096 1.00 0.00 H new ATOM 669 N LEU A 63 5.150 -23.260 6.714 1.00 0.00 N ATOM 670 CA LEU A 63 6.023 -23.851 5.704 1.00 0.00 C ATOM 671 C LEU A 63 6.122 -22.954 4.471 1.00 0.00 C ATOM 672 O LEU A 63 5.130 -22.709 3.782 1.00 0.00 O ATOM 673 CB LEU A 63 5.503 -25.232 5.301 1.00 0.00 C ATOM 674 CG LEU A 63 6.549 -26.348 5.288 1.00 0.00 C ATOM 675 CD1 LEU A 63 5.895 -27.688 5.581 1.00 0.00 C ATOM 676 CD2 LEU A 63 7.271 -26.385 3.949 1.00 0.00 C ATOM 0 H LEU A 63 4.418 -23.887 7.050 1.00 0.00 H new ATOM 0 HA LEU A 63 7.019 -23.953 6.136 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.703 -25.515 5.986 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.061 -25.160 4.307 1.00 0.00 H new ATOM 0 HG LEU A 63 7.284 -26.145 6.067 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.652 -28.473 5.568 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.422 -27.655 6.563 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.141 -27.899 4.822 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.012 -27.185 3.957 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.550 -26.566 3.152 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.769 -25.431 3.778 1.00 0.00 H new ATOM 688 N MET A 64 7.324 -22.469 4.206 1.00 0.00 N ATOM 689 CA MET A 64 7.555 -21.561 3.098 1.00 0.00 C ATOM 690 C MET A 64 8.639 -22.109 2.181 1.00 0.00 C ATOM 691 O MET A 64 9.726 -22.473 2.631 1.00 0.00 O ATOM 692 CB MET A 64 7.948 -20.176 3.616 1.00 0.00 C ATOM 693 CG MET A 64 7.508 -19.038 2.708 1.00 0.00 C ATOM 694 SD MET A 64 6.149 -19.500 1.610 1.00 0.00 S ATOM 695 CE MET A 64 4.734 -19.015 2.597 1.00 0.00 C ATOM 0 H MET A 64 8.159 -22.692 4.748 1.00 0.00 H new ATOM 0 HA MET A 64 6.631 -21.469 2.528 1.00 0.00 H new ATOM 0 HB2 MET A 64 7.512 -20.030 4.604 1.00 0.00 H new ATOM 0 HB3 MET A 64 9.031 -20.136 3.736 1.00 0.00 H new ATOM 0 HG2 MET A 64 7.202 -18.189 3.320 1.00 0.00 H new ATOM 0 HG3 MET A 64 8.357 -18.709 2.109 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.817 -19.238 2.052 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.740 -19.566 3.537 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.783 -17.946 2.803 1.00 0.00 H new ATOM 705 N SER A 65 8.328 -22.195 0.903 1.00 0.00 N ATOM 706 CA SER A 65 9.269 -22.710 -0.078 1.00 0.00 C ATOM 707 C SER A 65 9.279 -21.828 -1.319 1.00 0.00 C ATOM 708 O SER A 65 8.612 -22.129 -2.311 1.00 0.00 O ATOM 709 CB SER A 65 8.905 -24.151 -0.449 1.00 0.00 C ATOM 710 OG SER A 65 8.063 -24.732 0.536 1.00 0.00 O ATOM 0 H SER A 65 7.427 -21.914 0.516 1.00 0.00 H new ATOM 0 HA SER A 65 10.268 -22.702 0.357 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.403 -24.166 -1.416 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.813 -24.744 -0.552 1.00 0.00 H new ATOM 0 HG SER A 65 7.842 -25.651 0.277 1.00 0.00 H new ATOM 716 N ASP A 66 10.008 -20.724 -1.252 1.00 0.00 N ATOM 717 CA ASP A 66 10.152 -19.847 -2.394 1.00 0.00 C ATOM 718 C ASP A 66 11.403 -20.235 -3.171 1.00 0.00 C ATOM 719 O ASP A 66 12.523 -20.163 -2.670 1.00 0.00 O ATOM 720 CB ASP A 66 10.195 -18.374 -1.965 1.00 0.00 C ATOM 721 CG ASP A 66 11.434 -18.024 -1.169 1.00 0.00 C ATOM 722 OD1 ASP A 66 11.493 -18.366 0.031 1.00 0.00 O ATOM 723 OD2 ASP A 66 12.356 -17.411 -1.747 1.00 0.00 O ATOM 0 H ASP A 66 10.507 -20.418 -0.417 1.00 0.00 H new ATOM 0 HA ASP A 66 9.283 -19.962 -3.041 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.149 -17.742 -2.852 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.311 -18.150 -1.368 1.00 0.00 H new ATOM 728 N PRO A 67 11.219 -20.698 -4.403 1.00 0.00 N ATOM 729 CA PRO A 67 12.319 -21.158 -5.245 1.00 0.00 C ATOM 730 C PRO A 67 13.105 -20.010 -5.861 1.00 0.00 C ATOM 731 O PRO A 67 14.093 -20.225 -6.560 1.00 0.00 O ATOM 732 CB PRO A 67 11.610 -21.968 -6.326 1.00 0.00 C ATOM 733 CG PRO A 67 10.265 -21.340 -6.441 1.00 0.00 C ATOM 734 CD PRO A 67 9.913 -20.834 -5.071 1.00 0.00 C ATOM 0 HA PRO A 67 13.058 -21.725 -4.680 1.00 0.00 H new ATOM 0 HB2 PRO A 67 12.150 -21.926 -7.272 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.535 -23.019 -6.049 1.00 0.00 H new ATOM 0 HG2 PRO A 67 10.278 -20.525 -7.164 1.00 0.00 H new ATOM 0 HG3 PRO A 67 9.527 -22.063 -6.789 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.387 -19.881 -5.119 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.263 -21.531 -4.542 1.00 0.00 H new ATOM 742 N PHE A 68 12.669 -18.787 -5.601 1.00 0.00 N ATOM 743 CA PHE A 68 13.279 -17.636 -6.252 1.00 0.00 C ATOM 744 C PHE A 68 14.271 -16.911 -5.347 1.00 0.00 C ATOM 745 O PHE A 68 15.201 -16.272 -5.840 1.00 0.00 O ATOM 746 CB PHE A 68 12.214 -16.656 -6.742 1.00 0.00 C ATOM 747 CG PHE A 68 12.646 -15.885 -7.957 1.00 0.00 C ATOM 748 CD1 PHE A 68 12.675 -16.490 -9.202 1.00 0.00 C ATOM 749 CD2 PHE A 68 13.038 -14.559 -7.851 1.00 0.00 C ATOM 750 CE1 PHE A 68 13.084 -15.790 -10.318 1.00 0.00 C ATOM 751 CE2 PHE A 68 13.447 -13.853 -8.965 1.00 0.00 C ATOM 752 CZ PHE A 68 13.472 -14.469 -10.199 1.00 0.00 C ATOM 0 H PHE A 68 11.910 -18.567 -4.957 1.00 0.00 H new ATOM 0 HA PHE A 68 13.833 -18.024 -7.107 1.00 0.00 H new ATOM 0 HB2 PHE A 68 11.300 -17.204 -6.971 1.00 0.00 H new ATOM 0 HB3 PHE A 68 11.974 -15.957 -5.941 1.00 0.00 H new ATOM 0 HD1 PHE A 68 12.374 -17.522 -9.301 1.00 0.00 H new ATOM 0 HD2 PHE A 68 13.023 -14.073 -6.887 1.00 0.00 H new ATOM 0 HE1 PHE A 68 13.101 -16.274 -11.283 1.00 0.00 H new ATOM 0 HE2 PHE A 68 13.747 -12.820 -8.870 1.00 0.00 H new ATOM 0 HZ PHE A 68 13.794 -13.920 -11.071 1.00 0.00 H new ATOM 762 N GLY A 69 14.087 -16.998 -4.036 1.00 0.00 N ATOM 763 CA GLY A 69 15.005 -16.329 -3.139 1.00 0.00 C ATOM 764 C GLY A 69 14.453 -15.002 -2.677 1.00 0.00 C ATOM 765 O GLY A 69 15.184 -14.018 -2.568 1.00 0.00 O ATOM 0 H GLY A 69 13.330 -17.512 -3.584 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.200 -16.964 -2.275 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.959 -16.173 -3.642 1.00 0.00 H new ATOM 769 N THR A 70 13.152 -14.969 -2.430 1.00 0.00 N ATOM 770 CA THR A 70 12.467 -13.735 -2.100 1.00 0.00 C ATOM 771 C THR A 70 12.854 -13.265 -0.698 1.00 0.00 C ATOM 772 O THR A 70 12.330 -13.746 0.307 1.00 0.00 O ATOM 773 CB THR A 70 10.938 -13.908 -2.193 1.00 0.00 C ATOM 774 OG1 THR A 70 10.607 -14.714 -3.335 1.00 0.00 O ATOM 775 CG2 THR A 70 10.251 -12.556 -2.308 1.00 0.00 C ATOM 0 H THR A 70 12.549 -15.791 -2.453 1.00 0.00 H new ATOM 0 HA THR A 70 12.773 -12.980 -2.824 1.00 0.00 H new ATOM 0 HB THR A 70 10.591 -14.401 -1.285 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.634 -14.822 -3.388 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.173 -12.700 -2.372 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.485 -11.953 -1.430 1.00 0.00 H new ATOM 0 HG23 THR A 70 10.603 -12.044 -3.204 1.00 0.00 H new ATOM 783 N ASN A 71 13.780 -12.317 -0.652 1.00 0.00 N ATOM 784 CA ASN A 71 14.346 -11.839 0.603 1.00 0.00 C ATOM 785 C ASN A 71 13.555 -10.652 1.151 1.00 0.00 C ATOM 786 O ASN A 71 14.122 -9.662 1.610 1.00 0.00 O ATOM 787 CB ASN A 71 15.817 -11.452 0.405 1.00 0.00 C ATOM 788 CG ASN A 71 16.043 -10.626 -0.846 1.00 0.00 C ATOM 789 OD1 ASN A 71 15.689 -9.450 -0.906 1.00 0.00 O ATOM 790 ND2 ASN A 71 16.623 -11.241 -1.864 1.00 0.00 N ATOM 0 H ASN A 71 14.159 -11.859 -1.480 1.00 0.00 H new ATOM 0 HA ASN A 71 14.285 -12.648 1.331 1.00 0.00 H new ATOM 0 HB2 ASN A 71 16.160 -10.890 1.273 1.00 0.00 H new ATOM 0 HB3 ASN A 71 16.422 -12.357 0.352 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.790 -10.738 -2.736 1.00 0.00 H new ATOM 0 HD22 ASN A 71 16.903 -12.218 -1.777 1.00 0.00 H new ATOM 797 N THR A 72 12.238 -10.759 1.090 1.00 0.00 N ATOM 798 CA THR A 72 11.363 -9.731 1.630 1.00 0.00 C ATOM 799 C THR A 72 10.111 -10.372 2.216 1.00 0.00 C ATOM 800 O THR A 72 9.461 -11.189 1.564 1.00 0.00 O ATOM 801 CB THR A 72 10.954 -8.709 0.557 1.00 0.00 C ATOM 802 OG1 THR A 72 11.443 -9.126 -0.728 1.00 0.00 O ATOM 803 CG2 THR A 72 11.497 -7.327 0.886 1.00 0.00 C ATOM 0 H THR A 72 11.750 -11.550 0.670 1.00 0.00 H new ATOM 0 HA THR A 72 11.915 -9.205 2.409 1.00 0.00 H new ATOM 0 HB THR A 72 9.865 -8.657 0.534 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.177 -8.471 -1.407 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.193 -6.623 0.111 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.102 -7.000 1.848 1.00 0.00 H new ATOM 0 HG23 THR A 72 12.585 -7.366 0.935 1.00 0.00 H new ATOM 811 N TRP A 73 9.783 -10.015 3.446 1.00 0.00 N ATOM 812 CA TRP A 73 8.639 -10.604 4.121 1.00 0.00 C ATOM 813 C TRP A 73 7.588 -9.546 4.424 1.00 0.00 C ATOM 814 O TRP A 73 7.916 -8.405 4.754 1.00 0.00 O ATOM 815 CB TRP A 73 9.079 -11.294 5.413 1.00 0.00 C ATOM 816 CG TRP A 73 9.518 -12.716 5.215 1.00 0.00 C ATOM 817 CD1 TRP A 73 9.746 -13.347 4.026 1.00 0.00 C ATOM 818 CD2 TRP A 73 9.785 -13.680 6.239 1.00 0.00 C ATOM 819 NE1 TRP A 73 10.141 -14.644 4.248 1.00 0.00 N ATOM 820 CE2 TRP A 73 10.171 -14.875 5.599 1.00 0.00 C ATOM 821 CE3 TRP A 73 9.735 -13.652 7.636 1.00 0.00 C ATOM 822 CZ2 TRP A 73 10.507 -16.025 6.308 1.00 0.00 C ATOM 823 CZ3 TRP A 73 10.067 -14.795 8.338 1.00 0.00 C ATOM 824 CH2 TRP A 73 10.448 -15.967 7.673 1.00 0.00 C ATOM 0 H TRP A 73 10.291 -9.322 3.996 1.00 0.00 H new ATOM 0 HA TRP A 73 8.199 -11.348 3.457 1.00 0.00 H new ATOM 0 HB2 TRP A 73 9.898 -10.728 5.857 1.00 0.00 H new ATOM 0 HB3 TRP A 73 8.254 -11.273 6.125 1.00 0.00 H new ATOM 0 HD1 TRP A 73 9.632 -12.893 3.053 1.00 0.00 H new ATOM 0 HE1 TRP A 73 10.374 -15.325 3.525 1.00 0.00 H new ATOM 0 HE3 TRP A 73 9.442 -12.753 8.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 10.803 -16.930 5.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 10.032 -14.784 9.417 1.00 0.00 H new ATOM 0 HH2 TRP A 73 10.701 -16.844 8.251 1.00 0.00 H new ATOM 835 N PHE A 74 6.327 -9.928 4.302 1.00 0.00 N ATOM 836 CA PHE A 74 5.225 -9.028 4.588 1.00 0.00 C ATOM 837 C PHE A 74 4.354 -9.607 5.691 1.00 0.00 C ATOM 838 O PHE A 74 3.917 -10.756 5.607 1.00 0.00 O ATOM 839 CB PHE A 74 4.387 -8.792 3.329 1.00 0.00 C ATOM 840 CG PHE A 74 4.889 -7.666 2.473 1.00 0.00 C ATOM 841 CD1 PHE A 74 4.465 -6.366 2.698 1.00 0.00 C ATOM 842 CD2 PHE A 74 5.780 -7.905 1.439 1.00 0.00 C ATOM 843 CE1 PHE A 74 4.920 -5.328 1.912 1.00 0.00 C ATOM 844 CE2 PHE A 74 6.240 -6.868 0.650 1.00 0.00 C ATOM 845 CZ PHE A 74 5.808 -5.578 0.886 1.00 0.00 C ATOM 0 H PHE A 74 6.042 -10.861 4.005 1.00 0.00 H new ATOM 0 HA PHE A 74 5.632 -8.073 4.920 1.00 0.00 H new ATOM 0 HB2 PHE A 74 4.371 -9.707 2.737 1.00 0.00 H new ATOM 0 HB3 PHE A 74 3.358 -8.583 3.622 1.00 0.00 H new ATOM 0 HD1 PHE A 74 3.769 -6.163 3.499 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.119 -8.913 1.248 1.00 0.00 H new ATOM 0 HE1 PHE A 74 4.581 -4.320 2.100 1.00 0.00 H new ATOM 0 HE2 PHE A 74 6.937 -7.066 -0.151 1.00 0.00 H new ATOM 0 HZ PHE A 74 6.164 -4.766 0.269 1.00 0.00 H new ATOM 855 N TYR A 75 4.116 -8.821 6.729 1.00 0.00 N ATOM 856 CA TYR A 75 3.301 -9.263 7.848 1.00 0.00 C ATOM 857 C TYR A 75 2.263 -8.205 8.196 1.00 0.00 C ATOM 858 O TYR A 75 2.462 -7.014 7.937 1.00 0.00 O ATOM 859 CB TYR A 75 4.178 -9.559 9.068 1.00 0.00 C ATOM 860 CG TYR A 75 4.509 -11.025 9.251 1.00 0.00 C ATOM 861 CD1 TYR A 75 3.657 -11.866 9.953 1.00 0.00 C ATOM 862 CD2 TYR A 75 5.681 -11.561 8.733 1.00 0.00 C ATOM 863 CE1 TYR A 75 3.963 -13.201 10.133 1.00 0.00 C ATOM 864 CE2 TYR A 75 5.992 -12.896 8.906 1.00 0.00 C ATOM 865 CZ TYR A 75 5.130 -13.712 9.608 1.00 0.00 C ATOM 866 OH TYR A 75 5.435 -15.039 9.792 1.00 0.00 O ATOM 0 H TYR A 75 4.477 -7.871 6.819 1.00 0.00 H new ATOM 0 HA TYR A 75 2.787 -10.179 7.558 1.00 0.00 H new ATOM 0 HB2 TYR A 75 5.107 -8.996 8.979 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.671 -9.198 9.963 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.740 -11.471 10.365 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.360 -10.924 8.186 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.290 -13.842 10.683 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.905 -13.298 8.494 1.00 0.00 H new ATOM 0 HH TYR A 75 4.607 -15.559 9.858 1.00 0.00 H new ATOM 876 N VAL A 76 1.156 -8.642 8.783 1.00 0.00 N ATOM 877 CA VAL A 76 0.088 -7.738 9.169 1.00 0.00 C ATOM 878 C VAL A 76 -0.484 -8.169 10.507 1.00 0.00 C ATOM 879 O VAL A 76 -0.750 -9.351 10.726 1.00 0.00 O ATOM 880 CB VAL A 76 -1.053 -7.687 8.126 1.00 0.00 C ATOM 881 CG1 VAL A 76 -0.868 -6.502 7.186 1.00 0.00 C ATOM 882 CG2 VAL A 76 -1.144 -8.993 7.343 1.00 0.00 C ATOM 0 H VAL A 76 0.977 -9.622 9.002 1.00 0.00 H new ATOM 0 HA VAL A 76 0.521 -6.740 9.236 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.993 -7.556 8.662 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.681 -6.483 6.460 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.875 -5.576 7.762 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.084 -6.597 6.663 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.955 -8.927 6.618 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.204 -9.170 6.821 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.338 -9.816 8.030 1.00 0.00 H new ATOM 892 N PHE A 77 -0.647 -7.216 11.404 1.00 0.00 N ATOM 893 CA PHE A 77 -1.193 -7.502 12.716 1.00 0.00 C ATOM 894 C PHE A 77 -2.384 -6.604 12.989 1.00 0.00 C ATOM 895 O PHE A 77 -2.370 -5.418 12.655 1.00 0.00 O ATOM 896 CB PHE A 77 -0.129 -7.335 13.812 1.00 0.00 C ATOM 897 CG PHE A 77 0.832 -6.199 13.598 1.00 0.00 C ATOM 898 CD1 PHE A 77 1.958 -6.358 12.806 1.00 0.00 C ATOM 899 CD2 PHE A 77 0.613 -4.972 14.204 1.00 0.00 C ATOM 900 CE1 PHE A 77 2.844 -5.315 12.621 1.00 0.00 C ATOM 901 CE2 PHE A 77 1.495 -3.926 14.021 1.00 0.00 C ATOM 902 CZ PHE A 77 2.612 -4.096 13.228 1.00 0.00 C ATOM 0 H PHE A 77 -0.409 -6.237 11.248 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.521 -8.541 12.730 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.633 -7.189 14.767 1.00 0.00 H new ATOM 0 HB3 PHE A 77 0.439 -8.262 13.890 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.145 -7.308 12.328 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.258 -4.833 14.827 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.718 -5.452 12.002 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.311 -2.975 14.498 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.302 -3.278 13.083 1.00 0.00 H new ATOM 912 N ARG A 78 -3.424 -7.183 13.569 1.00 0.00 N ATOM 913 CA ARG A 78 -4.617 -6.428 13.903 1.00 0.00 C ATOM 914 C ARG A 78 -4.333 -5.512 15.080 1.00 0.00 C ATOM 915 O ARG A 78 -4.034 -5.970 16.183 1.00 0.00 O ATOM 916 CB ARG A 78 -5.781 -7.364 14.218 1.00 0.00 C ATOM 917 CG ARG A 78 -6.339 -8.055 12.987 1.00 0.00 C ATOM 918 CD ARG A 78 -7.679 -7.472 12.572 1.00 0.00 C ATOM 919 NE ARG A 78 -7.610 -6.796 11.275 1.00 0.00 N ATOM 920 CZ ARG A 78 -8.648 -6.209 10.686 1.00 0.00 C ATOM 921 NH1 ARG A 78 -9.856 -6.267 11.239 1.00 0.00 N ATOM 922 NH2 ARG A 78 -8.482 -5.587 9.528 1.00 0.00 N ATOM 0 H ARG A 78 -3.464 -8.172 13.817 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.900 -5.821 13.043 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.450 -8.118 14.932 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.576 -6.796 14.700 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.631 -7.960 12.164 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.453 -9.120 13.188 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -8.421 -8.269 12.525 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.017 -6.766 13.330 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.711 -6.774 10.794 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.990 -6.764 12.120 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.648 -5.815 10.782 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.561 -5.560 9.091 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -9.276 -5.136 9.073 1.00 0.00 H new ATOM 936 N GLN A 79 -4.437 -4.223 14.829 1.00 0.00 N ATOM 937 CA GLN A 79 -4.029 -3.212 15.793 1.00 0.00 C ATOM 938 C GLN A 79 -5.207 -2.320 16.163 1.00 0.00 C ATOM 939 O GLN A 79 -5.977 -2.633 17.072 1.00 0.00 O ATOM 940 CB GLN A 79 -2.898 -2.366 15.200 1.00 0.00 C ATOM 941 CG GLN A 79 -1.629 -2.290 16.044 1.00 0.00 C ATOM 942 CD GLN A 79 -1.623 -3.228 17.237 1.00 0.00 C ATOM 943 OE1 GLN A 79 -1.611 -4.449 17.092 1.00 0.00 O ATOM 944 NE2 GLN A 79 -1.629 -2.659 18.432 1.00 0.00 N ATOM 0 H GLN A 79 -4.805 -3.844 13.956 1.00 0.00 H new ATOM 0 HA GLN A 79 -3.676 -3.709 16.697 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -2.640 -2.769 14.221 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -3.269 -1.354 15.040 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.771 -2.517 15.412 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.502 -1.267 16.399 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.639 -1.642 18.513 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.624 -3.237 19.272 1.00 0.00 H new ATOM 953 N GLN A 80 -5.346 -1.214 15.443 1.00 0.00 N ATOM 954 CA GLN A 80 -6.418 -0.259 15.687 1.00 0.00 C ATOM 955 C GLN A 80 -7.160 0.029 14.387 1.00 0.00 C ATOM 956 O GLN A 80 -6.561 0.517 13.432 1.00 0.00 O ATOM 957 CB GLN A 80 -5.859 1.049 16.268 1.00 0.00 C ATOM 958 CG GLN A 80 -4.351 1.214 16.102 1.00 0.00 C ATOM 959 CD GLN A 80 -3.965 2.301 15.111 1.00 0.00 C ATOM 960 OE1 GLN A 80 -2.784 2.513 14.835 1.00 0.00 O ATOM 961 NE2 GLN A 80 -4.949 3.003 14.575 1.00 0.00 N ATOM 0 H GLN A 80 -4.723 -0.955 14.678 1.00 0.00 H new ATOM 0 HA GLN A 80 -7.109 -0.692 16.411 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.360 1.890 15.788 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.104 1.096 17.329 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -3.910 1.444 17.072 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -3.924 0.266 15.774 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -5.916 2.800 14.827 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -4.741 3.748 13.910 1.00 0.00 H new ATOM 970 N PRO A 81 -8.458 -0.298 14.328 1.00 0.00 N ATOM 971 CA PRO A 81 -9.286 -0.058 13.142 1.00 0.00 C ATOM 972 C PRO A 81 -9.592 1.429 12.948 1.00 0.00 C ATOM 973 O PRO A 81 -8.785 2.166 12.381 1.00 0.00 O ATOM 974 CB PRO A 81 -10.574 -0.852 13.422 1.00 0.00 C ATOM 975 CG PRO A 81 -10.289 -1.670 14.642 1.00 0.00 C ATOM 976 CD PRO A 81 -9.222 -0.937 15.401 1.00 0.00 C ATOM 0 HA PRO A 81 -8.785 -0.368 12.225 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -11.418 -0.183 13.588 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.833 -1.488 12.576 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -11.186 -1.788 15.249 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.954 -2.671 14.370 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -9.643 -0.206 16.091 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -8.605 -1.614 15.992 1.00 0.00 H new ATOM 984 N GLY A 82 -10.744 1.873 13.436 1.00 0.00 N ATOM 985 CA GLY A 82 -11.099 3.272 13.327 1.00 0.00 C ATOM 986 C GLY A 82 -12.255 3.520 12.376 1.00 0.00 C ATOM 987 O GLY A 82 -12.544 2.699 11.503 1.00 0.00 O ATOM 0 H GLY A 82 -11.437 1.289 13.904 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.361 3.652 14.314 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.230 3.836 12.988 1.00 0.00 H new ATOM 991 N HIS A 83 -12.927 4.644 12.564 1.00 0.00 N ATOM 992 CA HIS A 83 -14.000 5.072 11.675 1.00 0.00 C ATOM 993 C HIS A 83 -13.474 6.154 10.738 1.00 0.00 C ATOM 994 O HIS A 83 -13.799 6.185 9.551 1.00 0.00 O ATOM 995 CB HIS A 83 -15.187 5.603 12.486 1.00 0.00 C ATOM 996 CG HIS A 83 -16.383 5.950 11.654 1.00 0.00 C ATOM 997 ND1 HIS A 83 -16.661 7.231 11.222 1.00 0.00 N ATOM 998 CD2 HIS A 83 -17.375 5.170 11.168 1.00 0.00 C ATOM 999 CE1 HIS A 83 -17.774 7.222 10.512 1.00 0.00 C ATOM 1000 NE2 HIS A 83 -18.223 5.985 10.463 1.00 0.00 N ATOM 0 H HIS A 83 -12.746 5.286 13.336 1.00 0.00 H new ATOM 0 HA HIS A 83 -14.343 4.220 11.088 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -15.475 4.854 13.224 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -14.871 6.488 13.037 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -16.095 8.056 11.420 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -17.480 4.104 11.309 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -18.237 8.082 10.050 1.00 0.00 H new ATOM 1009 N GLU A 84 -12.665 7.040 11.298 1.00 0.00 N ATOM 1010 CA GLU A 84 -11.971 8.055 10.523 1.00 0.00 C ATOM 1011 C GLU A 84 -10.485 7.737 10.519 1.00 0.00 C ATOM 1012 O GLU A 84 -9.855 7.671 11.579 1.00 0.00 O ATOM 1013 CB GLU A 84 -12.219 9.449 11.105 1.00 0.00 C ATOM 1014 CG GLU A 84 -13.266 10.246 10.347 1.00 0.00 C ATOM 1015 CD GLU A 84 -14.664 9.708 10.555 1.00 0.00 C ATOM 1016 OE1 GLU A 84 -14.985 9.280 11.684 1.00 0.00 O ATOM 1017 OE2 GLU A 84 -15.457 9.713 9.591 1.00 0.00 O ATOM 0 H GLU A 84 -12.472 7.075 12.299 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.351 8.052 9.501 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.532 9.349 12.144 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.282 10.005 11.106 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.229 11.287 10.668 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.029 10.232 9.283 1.00 0.00 H new ATOM 1024 N GLY A 85 -9.933 7.529 9.337 1.00 0.00 N ATOM 1025 CA GLY A 85 -8.569 7.061 9.242 1.00 0.00 C ATOM 1026 C GLY A 85 -8.524 5.576 8.967 1.00 0.00 C ATOM 1027 O GLY A 85 -7.918 4.816 9.723 1.00 0.00 O ATOM 0 H GLY A 85 -10.403 7.675 8.444 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.051 7.598 8.447 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -8.041 7.279 10.170 1.00 0.00 H new ATOM 1031 N VAL A 86 -9.195 5.161 7.895 1.00 0.00 N ATOM 1032 CA VAL A 86 -9.325 3.751 7.566 1.00 0.00 C ATOM 1033 C VAL A 86 -8.011 3.240 7.002 1.00 0.00 C ATOM 1034 O VAL A 86 -7.768 3.287 5.792 1.00 0.00 O ATOM 1035 CB VAL A 86 -10.462 3.501 6.552 1.00 0.00 C ATOM 1036 CG1 VAL A 86 -10.932 2.059 6.624 1.00 0.00 C ATOM 1037 CG2 VAL A 86 -11.625 4.456 6.794 1.00 0.00 C ATOM 0 H VAL A 86 -9.658 5.789 7.238 1.00 0.00 H new ATOM 0 HA VAL A 86 -9.574 3.213 8.481 1.00 0.00 H new ATOM 0 HB VAL A 86 -10.072 3.688 5.551 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -11.734 1.901 5.902 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -10.100 1.393 6.394 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -11.300 1.846 7.628 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -12.414 4.261 6.067 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -12.015 4.307 7.801 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -11.280 5.484 6.687 1.00 0.00 H new ATOM 1047 N THR A 87 -7.166 2.778 7.895 1.00 0.00 N ATOM 1048 CA THR A 87 -5.814 2.413 7.560 1.00 0.00 C ATOM 1049 C THR A 87 -5.280 1.474 8.631 1.00 0.00 C ATOM 1050 O THR A 87 -5.849 1.392 9.721 1.00 0.00 O ATOM 1051 CB THR A 87 -4.954 3.690 7.455 1.00 0.00 C ATOM 1052 OG1 THR A 87 -3.662 3.399 6.906 1.00 0.00 O ATOM 1053 CG2 THR A 87 -4.800 4.356 8.811 1.00 0.00 C ATOM 0 H THR A 87 -7.401 2.645 8.879 1.00 0.00 H new ATOM 0 HA THR A 87 -5.780 1.900 6.599 1.00 0.00 H new ATOM 0 HB THR A 87 -5.471 4.377 6.784 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.137 4.225 6.848 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.190 5.253 8.708 1.00 0.00 H new ATOM 0 HG22 THR A 87 -5.783 4.628 9.197 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.317 3.666 9.503 1.00 0.00 H new ATOM 1061 N GLN A 88 -4.212 0.753 8.335 1.00 0.00 N ATOM 1062 CA GLN A 88 -3.684 -0.208 9.285 1.00 0.00 C ATOM 1063 C GLN A 88 -2.169 -0.142 9.378 1.00 0.00 C ATOM 1064 O GLN A 88 -1.518 0.658 8.704 1.00 0.00 O ATOM 1065 CB GLN A 88 -4.119 -1.622 8.913 1.00 0.00 C ATOM 1066 CG GLN A 88 -4.412 -2.508 10.120 1.00 0.00 C ATOM 1067 CD GLN A 88 -5.367 -1.860 11.102 1.00 0.00 C ATOM 1068 OE1 GLN A 88 -6.575 -2.094 11.056 1.00 0.00 O ATOM 1069 NE2 GLN A 88 -4.831 -1.058 12.012 1.00 0.00 N ATOM 0 H GLN A 88 -3.699 0.814 7.455 1.00 0.00 H new ATOM 0 HA GLN A 88 -4.090 0.050 10.263 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.011 -1.566 8.289 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.338 -2.087 8.312 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.834 -3.453 9.778 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.477 -2.742 10.629 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.825 -0.891 12.015 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -5.425 -0.608 12.709 1.00 0.00 H new ATOM 1078 N GLN A 89 -1.625 -0.995 10.234 1.00 0.00 N ATOM 1079 CA GLN A 89 -0.195 -1.063 10.466 1.00 0.00 C ATOM 1080 C GLN A 89 0.484 -1.836 9.346 1.00 0.00 C ATOM 1081 O GLN A 89 -0.101 -2.756 8.774 1.00 0.00 O ATOM 1082 CB GLN A 89 0.079 -1.743 11.806 1.00 0.00 C ATOM 1083 CG GLN A 89 0.344 -0.775 12.946 1.00 0.00 C ATOM 1084 CD GLN A 89 -0.917 -0.117 13.477 1.00 0.00 C ATOM 1085 OE1 GLN A 89 -2.006 -0.275 12.924 1.00 0.00 O ATOM 1086 NE2 GLN A 89 -0.782 0.619 14.568 1.00 0.00 N ATOM 0 H GLN A 89 -2.167 -1.659 10.787 1.00 0.00 H new ATOM 0 HA GLN A 89 0.207 -0.050 10.487 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.775 -2.369 12.065 1.00 0.00 H new ATOM 0 HB3 GLN A 89 0.938 -2.405 11.697 1.00 0.00 H new ATOM 0 HG2 GLN A 89 0.838 -1.307 13.759 1.00 0.00 H new ATOM 0 HG3 GLN A 89 1.033 -0.002 12.605 1.00 0.00 H new ATOM 0 HE21 GLN A 89 0.136 0.728 14.999 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -1.596 1.078 14.978 1.00 0.00 H new ATOM 1095 N THR A 90 1.711 -1.468 9.040 1.00 0.00 N ATOM 1096 CA THR A 90 2.442 -2.109 7.963 1.00 0.00 C ATOM 1097 C THR A 90 3.757 -2.692 8.470 1.00 0.00 C ATOM 1098 O THR A 90 4.612 -1.961 8.971 1.00 0.00 O ATOM 1099 CB THR A 90 2.724 -1.105 6.829 1.00 0.00 C ATOM 1100 OG1 THR A 90 1.906 0.063 7.005 1.00 0.00 O ATOM 1101 CG2 THR A 90 2.443 -1.720 5.465 1.00 0.00 C ATOM 0 H THR A 90 2.224 -0.729 9.521 1.00 0.00 H new ATOM 0 HA THR A 90 1.825 -2.920 7.577 1.00 0.00 H new ATOM 0 HB THR A 90 3.778 -0.832 6.871 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.088 0.701 6.284 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.651 -0.987 4.686 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.079 -2.593 5.322 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.397 -2.021 5.410 1.00 0.00 H new ATOM 1109 N LEU A 91 3.906 -4.009 8.358 1.00 0.00 N ATOM 1110 CA LEU A 91 5.134 -4.672 8.768 1.00 0.00 C ATOM 1111 C LEU A 91 5.863 -5.236 7.556 1.00 0.00 C ATOM 1112 O LEU A 91 5.452 -6.243 6.973 1.00 0.00 O ATOM 1113 CB LEU A 91 4.833 -5.790 9.771 1.00 0.00 C ATOM 1114 CG LEU A 91 5.849 -5.958 10.911 1.00 0.00 C ATOM 1115 CD1 LEU A 91 6.669 -7.222 10.714 1.00 0.00 C ATOM 1116 CD2 LEU A 91 6.764 -4.747 11.015 1.00 0.00 C ATOM 0 H LEU A 91 3.191 -4.635 7.987 1.00 0.00 H new ATOM 0 HA LEU A 91 5.776 -3.936 9.251 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.852 -5.605 10.209 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.767 -6.732 9.227 1.00 0.00 H new ATOM 0 HG LEU A 91 5.292 -6.043 11.844 1.00 0.00 H new ATOM 0 HD11 LEU A 91 7.383 -7.324 11.531 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.006 -8.087 10.701 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.207 -7.163 9.768 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.472 -4.895 11.830 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.309 -4.621 10.079 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.167 -3.856 11.210 1.00 0.00 H new ATOM 1128 N THR A 92 6.939 -4.569 7.172 1.00 0.00 N ATOM 1129 CA THR A 92 7.731 -4.989 6.030 1.00 0.00 C ATOM 1130 C THR A 92 9.135 -5.399 6.470 1.00 0.00 C ATOM 1131 O THR A 92 9.831 -4.643 7.146 1.00 0.00 O ATOM 1132 CB THR A 92 7.815 -3.863 4.987 1.00 0.00 C ATOM 1133 OG1 THR A 92 6.589 -3.118 4.997 1.00 0.00 O ATOM 1134 CG2 THR A 92 8.073 -4.421 3.596 1.00 0.00 C ATOM 0 H THR A 92 7.285 -3.730 7.638 1.00 0.00 H new ATOM 0 HA THR A 92 7.241 -5.851 5.577 1.00 0.00 H new ATOM 0 HB THR A 92 8.648 -3.209 5.245 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.639 -2.398 4.334 1.00 0.00 H new ATOM 0 HG21 THR A 92 8.127 -3.601 2.880 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.015 -4.969 3.593 1.00 0.00 H new ATOM 0 HG23 THR A 92 7.261 -5.093 3.317 1.00 0.00 H new ATOM 1142 N LEU A 93 9.544 -6.598 6.097 1.00 0.00 N ATOM 1143 CA LEU A 93 10.835 -7.123 6.515 1.00 0.00 C ATOM 1144 C LEU A 93 11.787 -7.231 5.334 1.00 0.00 C ATOM 1145 O LEU A 93 11.430 -7.772 4.286 1.00 0.00 O ATOM 1146 CB LEU A 93 10.660 -8.495 7.156 1.00 0.00 C ATOM 1147 CG LEU A 93 9.793 -8.520 8.416 1.00 0.00 C ATOM 1148 CD1 LEU A 93 8.451 -9.173 8.132 1.00 0.00 C ATOM 1149 CD2 LEU A 93 10.511 -9.245 9.544 1.00 0.00 C ATOM 0 H LEU A 93 9.002 -7.228 5.505 1.00 0.00 H new ATOM 0 HA LEU A 93 11.261 -6.432 7.243 1.00 0.00 H new ATOM 0 HB2 LEU A 93 10.222 -9.169 6.420 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.645 -8.891 7.404 1.00 0.00 H new ATOM 0 HG LEU A 93 9.613 -7.491 8.727 1.00 0.00 H new ATOM 0 HD11 LEU A 93 7.850 -9.180 9.041 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.930 -8.611 7.357 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.609 -10.197 7.793 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.879 -9.253 10.432 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.723 -10.270 9.241 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.446 -8.732 9.769 1.00 0.00 H new ATOM 1161 N THR A 94 12.994 -6.718 5.512 1.00 0.00 N ATOM 1162 CA THR A 94 14.028 -6.821 4.499 1.00 0.00 C ATOM 1163 C THR A 94 15.057 -7.850 4.936 1.00 0.00 C ATOM 1164 O THR A 94 15.524 -7.818 6.076 1.00 0.00 O ATOM 1165 CB THR A 94 14.723 -5.468 4.255 1.00 0.00 C ATOM 1166 OG1 THR A 94 13.908 -4.393 4.756 1.00 0.00 O ATOM 1167 CG2 THR A 94 14.994 -5.257 2.772 1.00 0.00 C ATOM 0 H THR A 94 13.281 -6.223 6.356 1.00 0.00 H new ATOM 0 HA THR A 94 13.558 -7.128 3.565 1.00 0.00 H new ATOM 0 HB THR A 94 15.675 -5.476 4.785 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.982 -4.354 5.732 1.00 0.00 H new ATOM 0 HG21 THR A 94 15.485 -4.295 2.625 1.00 0.00 H new ATOM 0 HG22 THR A 94 15.640 -6.054 2.403 1.00 0.00 H new ATOM 0 HG23 THR A 94 14.052 -5.271 2.224 1.00 0.00 H new ATOM 1175 N PHE A 95 15.400 -8.764 4.047 1.00 0.00 N ATOM 1176 CA PHE A 95 16.286 -9.853 4.394 1.00 0.00 C ATOM 1177 C PHE A 95 17.548 -9.808 3.555 1.00 0.00 C ATOM 1178 O PHE A 95 17.491 -9.665 2.337 1.00 0.00 O ATOM 1179 CB PHE A 95 15.581 -11.198 4.185 1.00 0.00 C ATOM 1180 CG PHE A 95 14.977 -11.786 5.428 1.00 0.00 C ATOM 1181 CD1 PHE A 95 15.114 -11.160 6.656 1.00 0.00 C ATOM 1182 CD2 PHE A 95 14.264 -12.974 5.364 1.00 0.00 C ATOM 1183 CE1 PHE A 95 14.554 -11.706 7.794 1.00 0.00 C ATOM 1184 CE2 PHE A 95 13.702 -13.524 6.500 1.00 0.00 C ATOM 1185 CZ PHE A 95 13.847 -12.889 7.717 1.00 0.00 C ATOM 0 H PHE A 95 15.077 -8.771 3.080 1.00 0.00 H new ATOM 0 HA PHE A 95 16.557 -9.746 5.444 1.00 0.00 H new ATOM 0 HB2 PHE A 95 14.795 -11.070 3.440 1.00 0.00 H new ATOM 0 HB3 PHE A 95 16.297 -11.909 3.773 1.00 0.00 H new ATOM 0 HD1 PHE A 95 15.665 -10.234 6.724 1.00 0.00 H new ATOM 0 HD2 PHE A 95 14.147 -13.475 4.415 1.00 0.00 H new ATOM 0 HE1 PHE A 95 14.669 -11.207 8.745 1.00 0.00 H new ATOM 0 HE2 PHE A 95 13.150 -14.450 6.436 1.00 0.00 H new ATOM 0 HZ PHE A 95 13.408 -13.317 8.607 1.00 0.00 H new ATOM 1195 N ASN A 96 18.684 -9.899 4.214 1.00 0.00 N ATOM 1196 CA ASN A 96 19.941 -10.091 3.519 1.00 0.00 C ATOM 1197 C ASN A 96 20.039 -11.554 3.107 1.00 0.00 C ATOM 1198 O ASN A 96 19.319 -12.384 3.658 1.00 0.00 O ATOM 1199 CB ASN A 96 21.118 -9.703 4.420 1.00 0.00 C ATOM 1200 CG ASN A 96 22.423 -9.584 3.656 1.00 0.00 C ATOM 1201 OD1 ASN A 96 22.436 -9.267 2.467 1.00 0.00 O ATOM 1202 ND2 ASN A 96 23.529 -9.841 4.331 1.00 0.00 N ATOM 0 H ASN A 96 18.764 -9.843 5.229 1.00 0.00 H new ATOM 0 HA ASN A 96 19.980 -9.454 2.635 1.00 0.00 H new ATOM 0 HB2 ASN A 96 20.899 -8.753 4.908 1.00 0.00 H new ATOM 0 HB3 ASN A 96 21.229 -10.448 5.208 1.00 0.00 H new ATOM 0 HD21 ASN A 96 24.435 -9.780 3.867 1.00 0.00 H new ATOM 0 HD22 ASN A 96 23.477 -10.101 5.316 1.00 0.00 H new ATOM 1209 N SER A 97 20.920 -11.871 2.165 1.00 0.00 N ATOM 1210 CA SER A 97 21.031 -13.228 1.623 1.00 0.00 C ATOM 1211 C SER A 97 21.266 -14.283 2.714 1.00 0.00 C ATOM 1212 O SER A 97 20.892 -15.443 2.553 1.00 0.00 O ATOM 1213 CB SER A 97 22.156 -13.269 0.596 1.00 0.00 C ATOM 1214 OG SER A 97 22.327 -11.994 -0.008 1.00 0.00 O ATOM 0 H SER A 97 21.574 -11.204 1.756 1.00 0.00 H new ATOM 0 HA SER A 97 20.081 -13.475 1.150 1.00 0.00 H new ATOM 0 HB2 SER A 97 23.084 -13.577 1.077 1.00 0.00 H new ATOM 0 HB3 SER A 97 21.931 -14.013 -0.169 1.00 0.00 H new ATOM 0 HG SER A 97 23.054 -12.037 -0.663 1.00 0.00 H new ATOM 1220 N SER A 98 21.873 -13.874 3.821 1.00 0.00 N ATOM 1221 CA SER A 98 22.107 -14.767 4.951 1.00 0.00 C ATOM 1222 C SER A 98 20.821 -14.990 5.752 1.00 0.00 C ATOM 1223 O SER A 98 20.802 -15.753 6.716 1.00 0.00 O ATOM 1224 CB SER A 98 23.184 -14.166 5.851 1.00 0.00 C ATOM 1225 OG SER A 98 23.528 -12.860 5.413 1.00 0.00 O ATOM 0 H SER A 98 22.215 -12.923 3.961 1.00 0.00 H new ATOM 0 HA SER A 98 22.438 -15.733 4.571 1.00 0.00 H new ATOM 0 HB2 SER A 98 22.826 -14.128 6.880 1.00 0.00 H new ATOM 0 HB3 SER A 98 24.069 -14.803 5.844 1.00 0.00 H new ATOM 0 HG SER A 98 24.218 -12.489 6.002 1.00 0.00 H new ATOM 1231 N GLY A 99 19.751 -14.320 5.340 1.00 0.00 N ATOM 1232 CA GLY A 99 18.498 -14.383 6.062 1.00 0.00 C ATOM 1233 C GLY A 99 18.460 -13.383 7.192 1.00 0.00 C ATOM 1234 O GLY A 99 17.694 -13.528 8.135 1.00 0.00 O ATOM 0 H GLY A 99 19.732 -13.729 4.509 1.00 0.00 H new ATOM 0 HA2 GLY A 99 17.672 -14.191 5.377 1.00 0.00 H new ATOM 0 HA3 GLY A 99 18.356 -15.388 6.459 1.00 0.00 H new ATOM 1238 N VAL A 100 19.282 -12.355 7.079 1.00 0.00 N ATOM 1239 CA VAL A 100 19.455 -11.386 8.146 1.00 0.00 C ATOM 1240 C VAL A 100 18.531 -10.184 7.947 1.00 0.00 C ATOM 1241 O VAL A 100 18.460 -9.627 6.857 1.00 0.00 O ATOM 1242 CB VAL A 100 20.937 -10.929 8.216 1.00 0.00 C ATOM 1243 CG1 VAL A 100 21.073 -9.483 8.681 1.00 0.00 C ATOM 1244 CG2 VAL A 100 21.731 -11.856 9.125 1.00 0.00 C ATOM 0 H VAL A 100 19.846 -12.169 6.250 1.00 0.00 H new ATOM 0 HA VAL A 100 19.189 -11.861 9.090 1.00 0.00 H new ATOM 0 HB VAL A 100 21.342 -10.982 7.205 1.00 0.00 H new ATOM 0 HG11 VAL A 100 22.128 -9.209 8.714 1.00 0.00 H new ATOM 0 HG12 VAL A 100 20.549 -8.827 7.986 1.00 0.00 H new ATOM 0 HG13 VAL A 100 20.640 -9.378 9.676 1.00 0.00 H new ATOM 0 HG21 VAL A 100 22.769 -11.525 9.166 1.00 0.00 H new ATOM 0 HG22 VAL A 100 21.304 -11.836 10.128 1.00 0.00 H new ATOM 0 HG23 VAL A 100 21.690 -12.872 8.734 1.00 0.00 H new ATOM 1254 N LEU A 101 17.805 -9.825 9.001 1.00 0.00 N ATOM 1255 CA LEU A 101 16.960 -8.630 9.003 1.00 0.00 C ATOM 1256 C LEU A 101 17.799 -7.380 8.732 1.00 0.00 C ATOM 1257 O LEU A 101 18.406 -6.826 9.649 1.00 0.00 O ATOM 1258 CB LEU A 101 16.263 -8.491 10.363 1.00 0.00 C ATOM 1259 CG LEU A 101 14.730 -8.454 10.344 1.00 0.00 C ATOM 1260 CD1 LEU A 101 14.201 -7.972 9.000 1.00 0.00 C ATOM 1261 CD2 LEU A 101 14.164 -9.821 10.684 1.00 0.00 C ATOM 0 H LEU A 101 17.784 -10.350 9.875 1.00 0.00 H new ATOM 0 HA LEU A 101 16.213 -8.732 8.216 1.00 0.00 H new ATOM 0 HB2 LEU A 101 16.577 -9.323 10.994 1.00 0.00 H new ATOM 0 HB3 LEU A 101 16.621 -7.578 10.838 1.00 0.00 H new ATOM 0 HG LEU A 101 14.403 -7.742 11.101 1.00 0.00 H new ATOM 0 HD11 LEU A 101 13.111 -7.958 9.022 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.573 -6.967 8.802 1.00 0.00 H new ATOM 0 HD13 LEU A 101 14.540 -8.646 8.213 1.00 0.00 H new ATOM 0 HD21 LEU A 101 13.075 -9.779 10.666 1.00 0.00 H new ATOM 0 HD22 LEU A 101 14.511 -10.551 9.952 1.00 0.00 H new ATOM 0 HD23 LEU A 101 14.500 -10.117 11.678 1.00 0.00 H new ATOM 1273 N THR A 102 17.834 -6.944 7.482 1.00 0.00 N ATOM 1274 CA THR A 102 18.620 -5.782 7.101 1.00 0.00 C ATOM 1275 C THR A 102 17.924 -4.494 7.530 1.00 0.00 C ATOM 1276 O THR A 102 18.570 -3.506 7.877 1.00 0.00 O ATOM 1277 CB THR A 102 18.857 -5.758 5.582 1.00 0.00 C ATOM 1278 OG1 THR A 102 17.961 -6.673 4.939 1.00 0.00 O ATOM 1279 CG2 THR A 102 20.291 -6.136 5.253 1.00 0.00 C ATOM 0 H THR A 102 17.325 -7.379 6.713 1.00 0.00 H new ATOM 0 HA THR A 102 19.582 -5.851 7.609 1.00 0.00 H new ATOM 0 HB THR A 102 18.673 -4.746 5.221 1.00 0.00 H new ATOM 0 HG1 THR A 102 18.113 -6.654 3.971 1.00 0.00 H new ATOM 0 HG21 THR A 102 20.435 -6.112 4.173 1.00 0.00 H new ATOM 0 HG22 THR A 102 20.972 -5.428 5.725 1.00 0.00 H new ATOM 0 HG23 THR A 102 20.497 -7.140 5.624 1.00 0.00 H new ATOM 1287 N ASN A 103 16.600 -4.519 7.511 1.00 0.00 N ATOM 1288 CA ASN A 103 15.801 -3.382 7.939 1.00 0.00 C ATOM 1289 C ASN A 103 14.368 -3.819 8.173 1.00 0.00 C ATOM 1290 O ASN A 103 13.845 -4.668 7.446 1.00 0.00 O ATOM 1291 CB ASN A 103 15.827 -2.258 6.896 1.00 0.00 C ATOM 1292 CG ASN A 103 14.991 -1.059 7.315 1.00 0.00 C ATOM 1293 OD1 ASN A 103 15.228 -0.465 8.366 1.00 0.00 O ATOM 1294 ND2 ASN A 103 14.009 -0.698 6.504 1.00 0.00 N ATOM 0 H ASN A 103 16.053 -5.322 7.201 1.00 0.00 H new ATOM 0 HA ASN A 103 16.229 -3.001 8.866 1.00 0.00 H new ATOM 0 HB2 ASN A 103 16.857 -1.940 6.734 1.00 0.00 H new ATOM 0 HB3 ASN A 103 15.458 -2.640 5.944 1.00 0.00 H new ATOM 0 HD21 ASN A 103 13.418 0.098 6.742 1.00 0.00 H new ATOM 0 HD22 ASN A 103 13.844 -1.216 5.641 1.00 0.00 H new ATOM 1301 N ILE A 104 13.741 -3.258 9.191 1.00 0.00 N ATOM 1302 CA ILE A 104 12.332 -3.498 9.425 1.00 0.00 C ATOM 1303 C ILE A 104 11.548 -2.229 9.166 1.00 0.00 C ATOM 1304 O ILE A 104 11.893 -1.158 9.672 1.00 0.00 O ATOM 1305 CB ILE A 104 12.029 -3.964 10.862 1.00 0.00 C ATOM 1306 CG1 ILE A 104 12.574 -5.373 11.101 1.00 0.00 C ATOM 1307 CG2 ILE A 104 10.523 -3.917 11.115 1.00 0.00 C ATOM 1308 CD1 ILE A 104 13.484 -5.473 12.305 1.00 0.00 C ATOM 0 H ILE A 104 14.185 -2.635 9.866 1.00 0.00 H new ATOM 0 HA ILE A 104 12.038 -4.296 8.743 1.00 0.00 H new ATOM 0 HB ILE A 104 12.525 -3.291 11.561 1.00 0.00 H new ATOM 0 HG12 ILE A 104 11.738 -6.060 11.230 1.00 0.00 H new ATOM 0 HG13 ILE A 104 13.120 -5.698 10.215 1.00 0.00 H new ATOM 0 HG21 ILE A 104 10.315 -4.248 12.133 1.00 0.00 H new ATOM 0 HG22 ILE A 104 10.164 -2.896 10.984 1.00 0.00 H new ATOM 0 HG23 ILE A 104 10.015 -4.574 10.409 1.00 0.00 H new ATOM 0 HD11 ILE A 104 13.833 -6.500 12.413 1.00 0.00 H new ATOM 0 HD12 ILE A 104 14.340 -4.811 12.170 1.00 0.00 H new ATOM 0 HD13 ILE A 104 12.936 -5.180 13.201 1.00 0.00 H new ATOM 1320 N ASP A 105 10.510 -2.351 8.373 1.00 0.00 N ATOM 1321 CA ASP A 105 9.582 -1.264 8.175 1.00 0.00 C ATOM 1322 C ASP A 105 8.389 -1.470 9.089 1.00 0.00 C ATOM 1323 O ASP A 105 7.511 -2.283 8.799 1.00 0.00 O ATOM 1324 CB ASP A 105 9.126 -1.225 6.725 1.00 0.00 C ATOM 1325 CG ASP A 105 9.090 0.179 6.159 1.00 0.00 C ATOM 1326 OD1 ASP A 105 9.924 1.014 6.568 1.00 0.00 O ATOM 1327 OD2 ASP A 105 8.234 0.459 5.300 1.00 0.00 O ATOM 0 H ASP A 105 10.286 -3.198 7.851 1.00 0.00 H new ATOM 0 HA ASP A 105 10.068 -0.317 8.410 1.00 0.00 H new ATOM 0 HB2 ASP A 105 9.796 -1.838 6.122 1.00 0.00 H new ATOM 0 HB3 ASP A 105 8.133 -1.668 6.649 1.00 0.00 H new ATOM 1332 N ASN A 106 8.368 -0.748 10.198 1.00 0.00 N ATOM 1333 CA ASN A 106 7.293 -0.872 11.172 1.00 0.00 C ATOM 1334 C ASN A 106 6.711 0.493 11.483 1.00 0.00 C ATOM 1335 O ASN A 106 7.400 1.367 12.015 1.00 0.00 O ATOM 1336 CB ASN A 106 7.799 -1.528 12.459 1.00 0.00 C ATOM 1337 CG ASN A 106 6.703 -1.701 13.496 1.00 0.00 C ATOM 1338 OD1 ASN A 106 5.541 -1.927 13.162 1.00 0.00 O ATOM 1339 ND2 ASN A 106 7.069 -1.592 14.763 1.00 0.00 N ATOM 0 H ASN A 106 9.086 -0.067 10.447 1.00 0.00 H new ATOM 0 HA ASN A 106 6.515 -1.504 10.744 1.00 0.00 H new ATOM 0 HB2 ASN A 106 8.227 -2.502 12.222 1.00 0.00 H new ATOM 0 HB3 ASN A 106 8.601 -0.922 12.881 1.00 0.00 H new ATOM 0 HD21 ASN A 106 6.377 -1.696 15.505 1.00 0.00 H new ATOM 0 HD22 ASN A 106 8.044 -1.404 14.998 1.00 0.00 H new ATOM 1346 N LYS A 107 5.451 0.682 11.130 1.00 0.00 N ATOM 1347 CA LYS A 107 4.791 1.964 11.316 1.00 0.00 C ATOM 1348 C LYS A 107 3.318 1.765 11.658 1.00 0.00 C ATOM 1349 O LYS A 107 2.643 0.925 11.057 1.00 0.00 O ATOM 1350 CB LYS A 107 4.927 2.829 10.052 1.00 0.00 C ATOM 1351 CG LYS A 107 5.142 2.028 8.774 1.00 0.00 C ATOM 1352 CD LYS A 107 6.342 2.535 7.988 1.00 0.00 C ATOM 1353 CE LYS A 107 7.647 2.229 8.706 1.00 0.00 C ATOM 1354 NZ LYS A 107 8.809 2.887 8.060 1.00 0.00 N ATOM 0 H LYS A 107 4.862 -0.038 10.712 1.00 0.00 H new ATOM 0 HA LYS A 107 5.275 2.478 12.146 1.00 0.00 H new ATOM 0 HB2 LYS A 107 4.029 3.436 9.941 1.00 0.00 H new ATOM 0 HB3 LYS A 107 5.763 3.517 10.183 1.00 0.00 H new ATOM 0 HG2 LYS A 107 5.288 0.977 9.023 1.00 0.00 H new ATOM 0 HG3 LYS A 107 4.248 2.087 8.153 1.00 0.00 H new ATOM 0 HD2 LYS A 107 6.352 2.075 7.000 1.00 0.00 H new ATOM 0 HD3 LYS A 107 6.252 3.611 7.837 1.00 0.00 H new ATOM 0 HE2 LYS A 107 7.575 2.558 9.743 1.00 0.00 H new ATOM 0 HE3 LYS A 107 7.806 1.151 8.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 9.490 2.164 7.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 8.485 3.431 7.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 9.267 3.528 8.739 1.00 0.00 H new ATOM 1368 N PRO A 108 2.809 2.533 12.636 1.00 0.00 N ATOM 1369 CA PRO A 108 1.404 2.480 13.047 1.00 0.00 C ATOM 1370 C PRO A 108 0.467 2.985 11.955 1.00 0.00 C ATOM 1371 O PRO A 108 0.910 3.552 10.954 1.00 0.00 O ATOM 1372 CB PRO A 108 1.338 3.414 14.266 1.00 0.00 C ATOM 1373 CG PRO A 108 2.755 3.638 14.674 1.00 0.00 C ATOM 1374 CD PRO A 108 3.568 3.514 13.421 1.00 0.00 C ATOM 0 HA PRO A 108 1.088 1.459 13.260 1.00 0.00 H new ATOM 0 HB2 PRO A 108 0.849 4.355 14.013 1.00 0.00 H new ATOM 0 HB3 PRO A 108 0.763 2.963 15.075 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.881 4.622 15.125 1.00 0.00 H new ATOM 0 HG3 PRO A 108 3.068 2.904 15.417 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.656 4.467 12.900 1.00 0.00 H new ATOM 0 HD3 PRO A 108 4.581 3.169 13.629 1.00 0.00 H new ATOM 1382 N ALA A 109 -0.828 2.782 12.154 1.00 0.00 N ATOM 1383 CA ALA A 109 -1.821 3.244 11.199 1.00 0.00 C ATOM 1384 C ALA A 109 -1.988 4.758 11.288 1.00 0.00 C ATOM 1385 O ALA A 109 -2.332 5.416 10.311 1.00 0.00 O ATOM 1386 CB ALA A 109 -3.148 2.541 11.436 1.00 0.00 C ATOM 0 H ALA A 109 -1.213 2.301 12.967 1.00 0.00 H new ATOM 0 HA ALA A 109 -1.476 3.000 10.194 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.882 2.897 10.713 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -3.016 1.465 11.319 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.498 2.756 12.445 1.00 0.00 H new ATOM 1392 N LEU A 110 -1.732 5.308 12.463 1.00 0.00 N ATOM 1393 CA LEU A 110 -1.843 6.745 12.665 1.00 0.00 C ATOM 1394 C LEU A 110 -0.491 7.423 12.474 1.00 0.00 C ATOM 1395 O LEU A 110 0.451 7.169 13.225 1.00 0.00 O ATOM 1396 CB LEU A 110 -2.398 7.044 14.063 1.00 0.00 C ATOM 1397 CG LEU A 110 -3.507 8.101 14.123 1.00 0.00 C ATOM 1398 CD1 LEU A 110 -2.917 9.498 14.203 1.00 0.00 C ATOM 1399 CD2 LEU A 110 -4.433 7.980 12.922 1.00 0.00 C ATOM 0 H LEU A 110 -1.447 4.784 13.290 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.533 7.144 11.922 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -2.781 6.116 14.488 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.575 7.370 14.699 1.00 0.00 H new ATOM 0 HG LEU A 110 -4.092 7.925 15.026 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -3.722 10.231 14.245 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -2.303 9.583 15.099 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.302 9.684 13.323 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -5.212 8.740 12.985 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.861 8.123 12.005 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.891 6.991 12.914 1.00 0.00 H new