USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=20 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 94 THR OG1 : rot 71:sc= 1.14 USER MOD Set 1.2: A 103 ASN : amide:sc= 0.0046 X(o=1.1,f=1.1) USER MOD Set 2.1: A 61 THR OG1 : rot -70:sc= 0.268 USER MOD Set 2.2: A 75 TYR OH : rot 30:sc= 0.02 USER MOD Set 3.1: A 52 GLN : amide:sc= 0.395 K(o=-0.01,f=-0.76) USER MOD Set 3.2: A 71 ASN : amide:sc= -0.405 K(o=-0.01,f=-3.3!) USER MOD Set 4.1: A 51 THR OG1 : rot 128:sc= 1.42 USER MOD Set 4.2: A 54 GLN : amide:sc= 1.04 K(o=2.5,f=0.2) USER MOD Single : A 36 ASN : amide:sc= -0.678 K(o=-0.68,f=-1.6) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0204 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 141:sc= -0.769 (180deg=-3.55!) USER MOD Single : A 53 GLN : amide:sc= 0.604 K(o=0.6,f=-7.6!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -162:sc= 0 (180deg=-0.136) USER MOD Single : A 65 SER OG : rot 180:sc= 0.0389 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.363 K(o=-0.36,f=-6.4!) USER MOD Single : A 80 GLN : amide:sc= -1.14! X(o=-1.1!,f=-0.69) USER MOD Single : A 83 HIS : no HD1:sc= -0.0531 X(o=-0.053,f=-0.0076) USER MOD Single : A 87 THR OG1 : rot -6:sc= 0.592 USER MOD Single : A 88 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.11) USER MOD Single : A 89 GLN : amide:sc= -5.72! C(o=-5.7!,f=-13!) 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 96 ASN : amide:sc= -1.35! C(o=-1.3!,f=-8.6!) USER MOD Single : A 97 SER OG : rot 180:sc= 0.117 USER MOD Single : A 98 SER OG : rot 180:sc= 0.0592 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.00764 USER MOD Single : A 106 ASN : amide:sc= -1 X(o=-1,f=-0.55) USER MOD Single : A 107 LYS NZ :NH3+ 151:sc= 1.23 (180deg=-0.639) USER MOD ----------------------------------------------------------------- ATOM 257 N ASN A 36 -3.128 -16.885 15.131 1.00 0.00 N ATOM 258 CA ASN A 36 -4.009 -16.072 14.285 1.00 0.00 C ATOM 259 C ASN A 36 -3.325 -14.779 13.835 1.00 0.00 C ATOM 260 O ASN A 36 -2.713 -14.735 12.766 1.00 0.00 O ATOM 261 CB ASN A 36 -5.336 -15.759 14.993 1.00 0.00 C ATOM 262 CG ASN A 36 -6.389 -15.215 14.043 1.00 0.00 C ATOM 263 OD1 ASN A 36 -6.298 -15.387 12.825 1.00 0.00 O ATOM 264 ND2 ASN A 36 -7.395 -14.553 14.594 1.00 0.00 N ATOM 0 HA ASN A 36 -4.229 -16.663 13.396 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.713 -16.665 15.468 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.158 -15.033 15.787 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.132 -14.163 14.006 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.433 -14.433 15.606 1.00 0.00 H new ATOM 271 N TYR A 37 -3.413 -13.740 14.654 1.00 0.00 N ATOM 272 CA TYR A 37 -2.887 -12.429 14.286 1.00 0.00 C ATOM 273 C TYR A 37 -1.561 -12.160 14.983 1.00 0.00 C ATOM 274 O TYR A 37 -1.112 -12.947 15.819 1.00 0.00 O ATOM 275 CB TYR A 37 -3.878 -11.326 14.664 1.00 0.00 C ATOM 276 CG TYR A 37 -4.900 -11.006 13.594 1.00 0.00 C ATOM 277 CD1 TYR A 37 -5.977 -11.849 13.355 1.00 0.00 C ATOM 278 CD2 TYR A 37 -4.792 -9.849 12.833 1.00 0.00 C ATOM 279 CE1 TYR A 37 -6.915 -11.553 12.384 1.00 0.00 C ATOM 280 CE2 TYR A 37 -5.727 -9.544 11.863 1.00 0.00 C ATOM 281 CZ TYR A 37 -6.785 -10.399 11.642 1.00 0.00 C ATOM 282 OH TYR A 37 -7.718 -10.096 10.679 1.00 0.00 O ATOM 0 H TYR A 37 -3.843 -13.778 15.578 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.733 -12.428 13.207 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -4.402 -11.622 15.572 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.321 -10.419 14.899 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.084 -12.752 13.938 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.964 -9.177 13.002 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.745 -12.222 12.208 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -5.629 -8.640 11.281 1.00 0.00 H new ATOM 0 HH TYR A 37 -7.480 -9.248 10.249 1.00 0.00 H new ATOM 292 N LEU A 38 -0.942 -11.039 14.643 1.00 0.00 N ATOM 293 CA LEU A 38 0.282 -10.617 15.297 1.00 0.00 C ATOM 294 C LEU A 38 0.154 -9.169 15.751 1.00 0.00 C ATOM 295 O LEU A 38 -0.610 -8.395 15.171 1.00 0.00 O ATOM 296 CB LEU A 38 1.483 -10.779 14.361 1.00 0.00 C ATOM 297 CG LEU A 38 2.732 -11.369 15.017 1.00 0.00 C ATOM 298 CD1 LEU A 38 2.726 -12.884 14.907 1.00 0.00 C ATOM 299 CD2 LEU A 38 3.988 -10.791 14.388 1.00 0.00 C ATOM 0 H LEU A 38 -1.271 -10.405 13.915 1.00 0.00 H new ATOM 0 HA LEU A 38 0.446 -11.250 16.169 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.192 -11.417 13.527 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.735 -9.804 13.944 1.00 0.00 H new ATOM 0 HG LEU A 38 2.725 -11.102 16.074 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.622 -13.287 15.379 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.843 -13.282 15.407 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.709 -13.172 13.856 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.867 -11.222 14.868 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.003 -11.026 13.324 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.997 -9.709 14.521 1.00 0.00 H new ATOM 311 N THR A 39 0.875 -8.811 16.797 1.00 0.00 N ATOM 312 CA THR A 39 0.862 -7.448 17.289 1.00 0.00 C ATOM 313 C THR A 39 2.283 -6.896 17.359 1.00 0.00 C ATOM 314 O THR A 39 3.252 -7.622 17.129 1.00 0.00 O ATOM 315 CB THR A 39 0.171 -7.351 18.668 1.00 0.00 C ATOM 316 OG1 THR A 39 -0.157 -5.985 18.956 1.00 0.00 O ATOM 317 CG2 THR A 39 1.051 -7.916 19.776 1.00 0.00 C ATOM 0 H THR A 39 1.477 -9.446 17.322 1.00 0.00 H new ATOM 0 HA THR A 39 0.285 -6.844 16.589 1.00 0.00 H new ATOM 0 HB THR A 39 -0.741 -7.946 18.627 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.596 -5.931 19.830 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.533 -7.831 20.731 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.265 -8.965 19.571 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.986 -7.357 19.819 1.00 0.00 H new ATOM 325 N ALA A 40 2.404 -5.615 17.679 1.00 0.00 N ATOM 326 CA ALA A 40 3.699 -4.946 17.674 1.00 0.00 C ATOM 327 C ALA A 40 4.602 -5.476 18.784 1.00 0.00 C ATOM 328 O ALA A 40 5.825 -5.524 18.638 1.00 0.00 O ATOM 329 CB ALA A 40 3.519 -3.441 17.804 1.00 0.00 C ATOM 0 H ALA A 40 1.621 -5.018 17.945 1.00 0.00 H new ATOM 0 HA ALA A 40 4.183 -5.160 16.721 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.495 -2.956 17.799 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.926 -3.072 16.967 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.007 -3.215 18.739 1.00 0.00 H new ATOM 335 N ASN A 41 3.990 -5.887 19.889 1.00 0.00 N ATOM 336 CA ASN A 41 4.733 -6.434 21.023 1.00 0.00 C ATOM 337 C ASN A 41 5.428 -7.739 20.632 1.00 0.00 C ATOM 338 O ASN A 41 6.492 -8.070 21.155 1.00 0.00 O ATOM 339 CB ASN A 41 3.795 -6.666 22.212 1.00 0.00 C ATOM 340 CG ASN A 41 4.527 -7.145 23.452 1.00 0.00 C ATOM 341 OD1 ASN A 41 5.235 -6.382 24.109 1.00 0.00 O ATOM 342 ND2 ASN A 41 4.353 -8.412 23.784 1.00 0.00 N ATOM 0 H ASN A 41 2.980 -5.852 20.026 1.00 0.00 H new ATOM 0 HA ASN A 41 5.496 -5.712 21.315 1.00 0.00 H new ATOM 0 HB2 ASN A 41 3.269 -5.739 22.441 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.039 -7.401 21.935 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.814 -8.790 24.612 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.758 -9.012 23.213 1.00 0.00 H new ATOM 349 N ASP A 42 4.835 -8.457 19.680 1.00 0.00 N ATOM 350 CA ASP A 42 5.395 -9.722 19.208 1.00 0.00 C ATOM 351 C ASP A 42 6.737 -9.486 18.515 1.00 0.00 C ATOM 352 O ASP A 42 7.608 -10.356 18.505 1.00 0.00 O ATOM 353 CB ASP A 42 4.429 -10.421 18.242 1.00 0.00 C ATOM 354 CG ASP A 42 3.164 -10.928 18.919 1.00 0.00 C ATOM 355 OD1 ASP A 42 3.258 -11.499 20.029 1.00 0.00 O ATOM 356 OD2 ASP A 42 2.063 -10.749 18.345 1.00 0.00 O ATOM 0 H ASP A 42 3.966 -8.184 19.220 1.00 0.00 H new ATOM 0 HA ASP A 42 5.549 -10.365 20.074 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.155 -9.727 17.448 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.941 -11.259 17.770 1.00 0.00 H new ATOM 361 N VAL A 43 6.907 -8.292 17.955 1.00 0.00 N ATOM 362 CA VAL A 43 8.142 -7.939 17.263 1.00 0.00 C ATOM 363 C VAL A 43 9.226 -7.545 18.259 1.00 0.00 C ATOM 364 O VAL A 43 10.413 -7.555 17.941 1.00 0.00 O ATOM 365 CB VAL A 43 7.931 -6.781 16.267 1.00 0.00 C ATOM 366 CG1 VAL A 43 9.018 -6.775 15.202 1.00 0.00 C ATOM 367 CG2 VAL A 43 6.560 -6.870 15.626 1.00 0.00 C ATOM 0 H VAL A 43 6.205 -7.552 17.967 1.00 0.00 H new ATOM 0 HA VAL A 43 8.455 -8.823 16.708 1.00 0.00 H new ATOM 0 HB VAL A 43 7.993 -5.844 16.821 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.847 -5.949 14.512 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.992 -6.655 15.677 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.995 -7.717 14.654 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.431 -6.044 14.927 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.469 -7.816 15.091 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.793 -6.815 16.398 1.00 0.00 H new ATOM 377 N SER A 44 8.817 -7.212 19.474 1.00 0.00 N ATOM 378 CA SER A 44 9.768 -6.854 20.514 1.00 0.00 C ATOM 379 C SER A 44 10.449 -8.108 21.059 1.00 0.00 C ATOM 380 O SER A 44 11.449 -8.028 21.775 1.00 0.00 O ATOM 381 CB SER A 44 9.060 -6.092 21.635 1.00 0.00 C ATOM 382 OG SER A 44 8.116 -5.171 21.106 1.00 0.00 O ATOM 0 H SER A 44 7.839 -7.182 19.762 1.00 0.00 H new ATOM 0 HA SER A 44 10.533 -6.206 20.087 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.555 -6.796 22.296 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.795 -5.559 22.238 1.00 0.00 H new ATOM 0 HG SER A 44 7.674 -4.697 21.841 1.00 0.00 H new ATOM 388 N LYS A 45 9.903 -9.267 20.703 1.00 0.00 N ATOM 389 CA LYS A 45 10.464 -10.541 21.125 1.00 0.00 C ATOM 390 C LYS A 45 11.626 -10.944 20.218 1.00 0.00 C ATOM 391 O LYS A 45 12.551 -11.632 20.649 1.00 0.00 O ATOM 392 CB LYS A 45 9.386 -11.629 21.116 1.00 0.00 C ATOM 393 CG LYS A 45 8.048 -11.161 21.660 1.00 0.00 C ATOM 394 CD LYS A 45 7.606 -11.995 22.849 1.00 0.00 C ATOM 395 CE LYS A 45 6.697 -13.135 22.418 1.00 0.00 C ATOM 396 NZ LYS A 45 6.091 -13.829 23.582 1.00 0.00 N ATOM 0 H LYS A 45 9.069 -9.347 20.121 1.00 0.00 H new ATOM 0 HA LYS A 45 10.840 -10.429 22.142 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.249 -11.985 20.095 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.732 -12.477 21.706 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.121 -10.114 21.956 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.295 -11.219 20.874 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.481 -12.398 23.359 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.083 -11.362 23.566 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.907 -12.747 21.775 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.267 -13.850 21.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.478 -14.599 23.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.844 -14.222 24.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.526 -13.153 24.134 1.00 0.00 H new ATOM 410 N ILE A 46 11.578 -10.513 18.960 1.00 0.00 N ATOM 411 CA ILE A 46 12.653 -10.791 18.017 1.00 0.00 C ATOM 412 C ILE A 46 13.587 -9.590 17.917 1.00 0.00 C ATOM 413 O ILE A 46 13.509 -8.674 18.738 1.00 0.00 O ATOM 414 CB ILE A 46 12.118 -11.161 16.619 1.00 0.00 C ATOM 415 CG1 ILE A 46 11.188 -10.073 16.082 1.00 0.00 C ATOM 416 CG2 ILE A 46 11.398 -12.502 16.668 1.00 0.00 C ATOM 417 CD1 ILE A 46 11.650 -9.495 14.764 1.00 0.00 C ATOM 0 H ILE A 46 10.806 -9.971 18.572 1.00 0.00 H new ATOM 0 HA ILE A 46 13.204 -11.652 18.396 1.00 0.00 H new ATOM 0 HB ILE A 46 12.967 -11.243 15.940 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.187 -10.487 15.959 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.114 -9.272 16.817 1.00 0.00 H new ATOM 0 HG21 ILE A 46 11.025 -12.751 15.675 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.091 -13.275 17.000 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.562 -12.441 17.364 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.948 -8.728 14.437 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.638 -9.053 14.887 1.00 0.00 H new ATOM 0 HD13 ILE A 46 11.698 -10.287 14.016 1.00 0.00 H new ATOM 429 N ARG A 47 14.461 -9.584 16.916 1.00 0.00 N ATOM 430 CA ARG A 47 15.435 -8.511 16.773 1.00 0.00 C ATOM 431 C ARG A 47 15.887 -8.353 15.327 1.00 0.00 C ATOM 432 O ARG A 47 15.674 -9.237 14.498 1.00 0.00 O ATOM 433 CB ARG A 47 16.642 -8.770 17.674 1.00 0.00 C ATOM 434 CG ARG A 47 17.409 -10.040 17.350 1.00 0.00 C ATOM 435 CD ARG A 47 17.961 -10.673 18.617 1.00 0.00 C ATOM 436 NE ARG A 47 19.305 -11.222 18.433 1.00 0.00 N ATOM 437 CZ ARG A 47 20.429 -10.522 18.601 1.00 0.00 C ATOM 438 NH1 ARG A 47 20.382 -9.223 18.880 1.00 0.00 N ATOM 439 NH2 ARG A 47 21.605 -11.129 18.483 1.00 0.00 N ATOM 0 H ARG A 47 14.514 -10.305 16.197 1.00 0.00 H new ATOM 0 HA ARG A 47 14.952 -7.582 17.076 1.00 0.00 H new ATOM 0 HB2 ARG A 47 17.322 -7.921 17.602 1.00 0.00 H new ATOM 0 HB3 ARG A 47 16.303 -8.819 18.709 1.00 0.00 H new ATOM 0 HG2 ARG A 47 16.754 -10.746 16.840 1.00 0.00 H new ATOM 0 HG3 ARG A 47 18.226 -9.813 16.665 1.00 0.00 H new ATOM 0 HD2 ARG A 47 17.983 -9.927 19.411 1.00 0.00 H new ATOM 0 HD3 ARG A 47 17.290 -11.467 18.944 1.00 0.00 H new ATOM 0 HE ARG A 47 19.388 -12.201 18.159 1.00 0.00 H new ATOM 0 HH11 ARG A 47 19.481 -8.752 18.968 1.00 0.00 H new ATOM 0 HH12 ARG A 47 21.247 -8.697 19.007 1.00 0.00 H new ATOM 0 HH21 ARG A 47 21.645 -12.125 18.265 1.00 0.00 H new ATOM 0 HH22 ARG A 47 22.467 -10.599 18.610 1.00 0.00 H new ATOM 453 N VAL A 48 16.514 -7.225 15.033 1.00 0.00 N ATOM 454 CA VAL A 48 17.042 -6.977 13.706 1.00 0.00 C ATOM 455 C VAL A 48 18.371 -7.712 13.532 1.00 0.00 C ATOM 456 O VAL A 48 19.172 -7.809 14.466 1.00 0.00 O ATOM 457 CB VAL A 48 17.202 -5.462 13.427 1.00 0.00 C ATOM 458 CG1 VAL A 48 18.373 -4.868 14.196 1.00 0.00 C ATOM 459 CG2 VAL A 48 17.347 -5.201 11.936 1.00 0.00 C ATOM 0 H VAL A 48 16.669 -6.467 15.698 1.00 0.00 H new ATOM 0 HA VAL A 48 16.328 -7.360 12.977 1.00 0.00 H new ATOM 0 HB VAL A 48 16.296 -4.967 13.778 1.00 0.00 H new ATOM 0 HG11 VAL A 48 18.452 -3.804 13.974 1.00 0.00 H new ATOM 0 HG12 VAL A 48 18.213 -5.004 15.265 1.00 0.00 H new ATOM 0 HG13 VAL A 48 19.294 -5.370 13.901 1.00 0.00 H new ATOM 0 HG21 VAL A 48 17.458 -4.131 11.763 1.00 0.00 H new ATOM 0 HG22 VAL A 48 18.227 -5.723 11.559 1.00 0.00 H new ATOM 0 HG23 VAL A 48 16.460 -5.562 11.415 1.00 0.00 H new ATOM 469 N GLY A 49 18.577 -8.258 12.346 1.00 0.00 N ATOM 470 CA GLY A 49 19.740 -9.082 12.087 1.00 0.00 C ATOM 471 C GLY A 49 19.501 -10.523 12.468 1.00 0.00 C ATOM 472 O GLY A 49 20.346 -11.385 12.232 1.00 0.00 O ATOM 0 H GLY A 49 17.952 -8.144 11.548 1.00 0.00 H new ATOM 0 HA2 GLY A 49 19.999 -9.024 11.030 1.00 0.00 H new ATOM 0 HA3 GLY A 49 20.592 -8.695 12.646 1.00 0.00 H new ATOM 476 N MET A 50 18.346 -10.783 13.064 1.00 0.00 N ATOM 477 CA MET A 50 17.932 -12.133 13.360 1.00 0.00 C ATOM 478 C MET A 50 17.642 -12.868 12.055 1.00 0.00 C ATOM 479 O MET A 50 16.955 -12.341 11.175 1.00 0.00 O ATOM 480 CB MET A 50 16.700 -12.106 14.266 1.00 0.00 C ATOM 481 CG MET A 50 16.813 -13.022 15.468 1.00 0.00 C ATOM 482 SD MET A 50 15.242 -13.231 16.337 1.00 0.00 S ATOM 483 CE MET A 50 15.360 -14.953 16.830 1.00 0.00 C ATOM 0 H MET A 50 17.680 -10.066 13.351 1.00 0.00 H new ATOM 0 HA MET A 50 18.727 -12.662 13.885 1.00 0.00 H new ATOM 0 HB2 MET A 50 16.535 -11.085 14.611 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.824 -12.391 13.683 1.00 0.00 H new ATOM 0 HG2 MET A 50 17.176 -13.997 15.143 1.00 0.00 H new ATOM 0 HG3 MET A 50 17.554 -12.619 16.158 1.00 0.00 H new ATOM 0 HE1 MET A 50 14.950 -15.073 17.833 1.00 0.00 H new ATOM 0 HE2 MET A 50 14.796 -15.571 16.131 1.00 0.00 H new ATOM 0 HE3 MET A 50 16.405 -15.262 16.826 1.00 0.00 H new ATOM 493 N THR A 51 18.195 -14.062 11.928 1.00 0.00 N ATOM 494 CA THR A 51 18.095 -14.837 10.707 1.00 0.00 C ATOM 495 C THR A 51 16.672 -15.340 10.478 1.00 0.00 C ATOM 496 O THR A 51 15.944 -15.644 11.428 1.00 0.00 O ATOM 497 CB THR A 51 19.058 -16.032 10.775 1.00 0.00 C ATOM 498 OG1 THR A 51 19.626 -16.105 12.092 1.00 0.00 O ATOM 499 CG2 THR A 51 20.172 -15.898 9.747 1.00 0.00 C ATOM 0 H THR A 51 18.725 -14.520 12.669 1.00 0.00 H new ATOM 0 HA THR A 51 18.363 -14.188 9.873 1.00 0.00 H new ATOM 0 HB THR A 51 18.499 -16.942 10.555 1.00 0.00 H new ATOM 0 HG1 THR A 51 19.507 -17.009 12.450 1.00 0.00 H new ATOM 0 HG21 THR A 51 20.838 -16.758 9.818 1.00 0.00 H new ATOM 0 HG22 THR A 51 19.741 -15.855 8.747 1.00 0.00 H new ATOM 0 HG23 THR A 51 20.736 -14.985 9.939 1.00 0.00 H new ATOM 507 N GLN A 52 16.295 -15.424 9.209 1.00 0.00 N ATOM 508 CA GLN A 52 14.975 -15.885 8.790 1.00 0.00 C ATOM 509 C GLN A 52 14.605 -17.207 9.461 1.00 0.00 C ATOM 510 O GLN A 52 13.455 -17.425 9.845 1.00 0.00 O ATOM 511 CB GLN A 52 14.964 -16.061 7.271 1.00 0.00 C ATOM 512 CG GLN A 52 13.696 -15.566 6.597 1.00 0.00 C ATOM 513 CD GLN A 52 13.510 -16.151 5.210 1.00 0.00 C ATOM 514 OE1 GLN A 52 12.970 -17.245 5.044 1.00 0.00 O ATOM 515 NE2 GLN A 52 13.969 -15.431 4.198 1.00 0.00 N ATOM 0 H GLN A 52 16.904 -15.171 8.431 1.00 0.00 H new ATOM 0 HA GLN A 52 14.239 -15.139 9.090 1.00 0.00 H new ATOM 0 HB2 GLN A 52 15.818 -15.531 6.849 1.00 0.00 H new ATOM 0 HB3 GLN A 52 15.098 -17.117 7.038 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.836 -15.823 7.215 1.00 0.00 H new ATOM 0 HG3 GLN A 52 13.725 -14.479 6.528 1.00 0.00 H new ATOM 0 HE21 GLN A 52 14.411 -14.529 4.373 1.00 0.00 H new ATOM 0 HE22 GLN A 52 13.881 -15.779 3.243 1.00 0.00 H new ATOM 524 N GLN A 53 15.600 -18.073 9.619 1.00 0.00 N ATOM 525 CA GLN A 53 15.392 -19.396 10.197 1.00 0.00 C ATOM 526 C GLN A 53 15.043 -19.284 11.676 1.00 0.00 C ATOM 527 O GLN A 53 14.185 -20.003 12.181 1.00 0.00 O ATOM 528 CB GLN A 53 16.647 -20.260 10.012 1.00 0.00 C ATOM 529 CG GLN A 53 17.068 -20.427 8.557 1.00 0.00 C ATOM 530 CD GLN A 53 18.101 -19.405 8.125 1.00 0.00 C ATOM 531 OE1 GLN A 53 18.131 -18.280 8.625 1.00 0.00 O ATOM 532 NE2 GLN A 53 18.955 -19.788 7.192 1.00 0.00 N ATOM 0 H GLN A 53 16.566 -17.880 9.353 1.00 0.00 H new ATOM 0 HA GLN A 53 14.559 -19.872 9.680 1.00 0.00 H new ATOM 0 HB2 GLN A 53 17.470 -19.813 10.570 1.00 0.00 H new ATOM 0 HB3 GLN A 53 16.466 -21.244 10.444 1.00 0.00 H new ATOM 0 HG2 GLN A 53 17.472 -21.429 8.413 1.00 0.00 H new ATOM 0 HG3 GLN A 53 16.190 -20.342 7.917 1.00 0.00 H new ATOM 0 HE21 GLN A 53 18.897 -20.729 6.803 1.00 0.00 H new ATOM 0 HE22 GLN A 53 19.672 -19.143 6.861 1.00 0.00 H new ATOM 541 N GLN A 54 15.691 -18.352 12.356 1.00 0.00 N ATOM 542 CA GLN A 54 15.486 -18.165 13.784 1.00 0.00 C ATOM 543 C GLN A 54 14.182 -17.423 14.039 1.00 0.00 C ATOM 544 O GLN A 54 13.517 -17.645 15.051 1.00 0.00 O ATOM 545 CB GLN A 54 16.667 -17.412 14.402 1.00 0.00 C ATOM 546 CG GLN A 54 17.763 -18.330 14.922 1.00 0.00 C ATOM 547 CD GLN A 54 18.481 -19.071 13.808 1.00 0.00 C ATOM 548 OE1 GLN A 54 19.357 -18.521 13.145 1.00 0.00 O ATOM 549 NE2 GLN A 54 18.126 -20.329 13.601 1.00 0.00 N ATOM 0 H GLN A 54 16.366 -17.710 11.940 1.00 0.00 H new ATOM 0 HA GLN A 54 15.422 -19.145 14.257 1.00 0.00 H new ATOM 0 HB2 GLN A 54 17.090 -16.740 13.656 1.00 0.00 H new ATOM 0 HB3 GLN A 54 16.304 -16.791 15.221 1.00 0.00 H new ATOM 0 HG2 GLN A 54 18.486 -17.742 15.487 1.00 0.00 H new ATOM 0 HG3 GLN A 54 17.329 -19.053 15.613 1.00 0.00 H new ATOM 0 HE21 GLN A 54 17.394 -20.753 14.171 1.00 0.00 H new ATOM 0 HE22 GLN A 54 18.584 -20.875 12.871 1.00 0.00 H new ATOM 558 N VAL A 55 13.816 -16.550 13.108 1.00 0.00 N ATOM 559 CA VAL A 55 12.538 -15.860 13.169 1.00 0.00 C ATOM 560 C VAL A 55 11.403 -16.870 13.045 1.00 0.00 C ATOM 561 O VAL A 55 10.487 -16.894 13.864 1.00 0.00 O ATOM 562 CB VAL A 55 12.411 -14.794 12.057 1.00 0.00 C ATOM 563 CG1 VAL A 55 11.009 -14.197 12.030 1.00 0.00 C ATOM 564 CG2 VAL A 55 13.455 -13.704 12.243 1.00 0.00 C ATOM 0 H VAL A 55 14.389 -16.304 12.301 1.00 0.00 H new ATOM 0 HA VAL A 55 12.478 -15.350 14.130 1.00 0.00 H new ATOM 0 HB VAL A 55 12.587 -15.281 11.098 1.00 0.00 H new ATOM 0 HG11 VAL A 55 10.947 -13.450 11.239 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.281 -14.986 11.842 1.00 0.00 H new ATOM 0 HG13 VAL A 55 10.795 -13.727 12.990 1.00 0.00 H new ATOM 0 HG21 VAL A 55 13.351 -12.962 11.451 1.00 0.00 H new ATOM 0 HG22 VAL A 55 13.312 -13.224 13.211 1.00 0.00 H new ATOM 0 HG23 VAL A 55 14.452 -14.143 12.200 1.00 0.00 H new ATOM 574 N ALA A 56 11.492 -17.730 12.037 1.00 0.00 N ATOM 575 CA ALA A 56 10.481 -18.756 11.824 1.00 0.00 C ATOM 576 C ALA A 56 10.493 -19.776 12.956 1.00 0.00 C ATOM 577 O ALA A 56 9.463 -20.353 13.289 1.00 0.00 O ATOM 578 CB ALA A 56 10.690 -19.445 10.487 1.00 0.00 C ATOM 0 H ALA A 56 12.252 -17.737 11.357 1.00 0.00 H new ATOM 0 HA ALA A 56 9.505 -18.270 11.814 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.924 -20.208 10.347 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.621 -18.711 9.685 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.675 -19.912 10.468 1.00 0.00 H new ATOM 584 N TYR A 57 11.667 -19.994 13.537 1.00 0.00 N ATOM 585 CA TYR A 57 11.816 -20.914 14.659 1.00 0.00 C ATOM 586 C TYR A 57 11.070 -20.412 15.895 1.00 0.00 C ATOM 587 O TYR A 57 10.194 -21.095 16.428 1.00 0.00 O ATOM 588 CB TYR A 57 13.296 -21.081 15.004 1.00 0.00 C ATOM 589 CG TYR A 57 13.798 -22.501 14.918 1.00 0.00 C ATOM 590 CD1 TYR A 57 14.294 -23.011 13.725 1.00 0.00 C ATOM 591 CD2 TYR A 57 13.786 -23.331 16.034 1.00 0.00 C ATOM 592 CE1 TYR A 57 14.766 -24.306 13.645 1.00 0.00 C ATOM 593 CE2 TYR A 57 14.255 -24.628 15.962 1.00 0.00 C ATOM 594 CZ TYR A 57 14.743 -25.110 14.765 1.00 0.00 C ATOM 595 OH TYR A 57 15.218 -26.399 14.690 1.00 0.00 O ATOM 0 H TYR A 57 12.535 -19.543 13.247 1.00 0.00 H new ATOM 0 HA TYR A 57 11.390 -21.872 14.360 1.00 0.00 H new ATOM 0 HB2 TYR A 57 13.886 -20.458 14.332 1.00 0.00 H new ATOM 0 HB3 TYR A 57 13.466 -20.709 16.014 1.00 0.00 H new ATOM 0 HD1 TYR A 57 14.311 -22.384 12.846 1.00 0.00 H new ATOM 0 HD2 TYR A 57 13.404 -22.955 16.972 1.00 0.00 H new ATOM 0 HE1 TYR A 57 15.151 -24.687 12.711 1.00 0.00 H new ATOM 0 HE2 TYR A 57 14.240 -25.261 16.837 1.00 0.00 H new ATOM 0 HH TYR A 57 15.132 -26.831 15.566 1.00 0.00 H new ATOM 605 N ALA A 58 11.414 -19.206 16.333 1.00 0.00 N ATOM 606 CA ALA A 58 10.906 -18.673 17.592 1.00 0.00 C ATOM 607 C ALA A 58 9.493 -18.115 17.455 1.00 0.00 C ATOM 608 O ALA A 58 8.643 -18.342 18.319 1.00 0.00 O ATOM 609 CB ALA A 58 11.849 -17.604 18.126 1.00 0.00 C ATOM 0 H ALA A 58 12.044 -18.578 15.834 1.00 0.00 H new ATOM 0 HA ALA A 58 10.857 -19.500 18.301 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.460 -17.213 19.066 1.00 0.00 H new ATOM 0 HB2 ALA A 58 12.834 -18.039 18.294 1.00 0.00 H new ATOM 0 HB3 ALA A 58 11.928 -16.794 17.401 1.00 0.00 H new ATOM 615 N LEU A 59 9.241 -17.390 16.374 1.00 0.00 N ATOM 616 CA LEU A 59 7.958 -16.736 16.180 1.00 0.00 C ATOM 617 C LEU A 59 6.958 -17.691 15.534 1.00 0.00 C ATOM 618 O LEU A 59 5.751 -17.588 15.756 1.00 0.00 O ATOM 619 CB LEU A 59 8.144 -15.472 15.334 1.00 0.00 C ATOM 620 CG LEU A 59 6.859 -14.780 14.899 1.00 0.00 C ATOM 621 CD1 LEU A 59 6.204 -14.074 16.080 1.00 0.00 C ATOM 622 CD2 LEU A 59 7.152 -13.788 13.784 1.00 0.00 C ATOM 0 H LEU A 59 9.910 -17.241 15.618 1.00 0.00 H new ATOM 0 HA LEU A 59 7.555 -16.447 17.151 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.745 -14.761 15.901 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.715 -15.733 14.443 1.00 0.00 H new ATOM 0 HG LEU A 59 6.167 -15.534 14.525 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.287 -13.586 15.749 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.967 -14.804 16.854 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.888 -13.327 16.482 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.227 -13.299 13.480 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.859 -13.039 14.140 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.581 -14.315 12.932 1.00 0.00 H new ATOM 634 N GLY A 60 7.468 -18.627 14.747 1.00 0.00 N ATOM 635 CA GLY A 60 6.616 -19.628 14.135 1.00 0.00 C ATOM 636 C GLY A 60 5.994 -19.153 12.836 1.00 0.00 C ATOM 637 O GLY A 60 4.827 -18.765 12.803 1.00 0.00 O ATOM 0 H GLY A 60 8.459 -18.712 14.520 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.199 -20.529 13.945 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.825 -19.902 14.833 1.00 0.00 H new ATOM 641 N THR A 61 6.768 -19.200 11.764 1.00 0.00 N ATOM 642 CA THR A 61 6.297 -18.758 10.458 1.00 0.00 C ATOM 643 C THR A 61 6.010 -19.948 9.539 1.00 0.00 C ATOM 644 O THR A 61 6.798 -20.891 9.475 1.00 0.00 O ATOM 645 CB THR A 61 7.333 -17.833 9.793 1.00 0.00 C ATOM 646 OG1 THR A 61 7.889 -16.950 10.777 1.00 0.00 O ATOM 647 CG2 THR A 61 6.708 -17.020 8.669 1.00 0.00 C ATOM 0 H THR A 61 7.729 -19.541 11.771 1.00 0.00 H new ATOM 0 HA THR A 61 5.369 -18.207 10.614 1.00 0.00 H new ATOM 0 HB THR A 61 8.120 -18.454 9.364 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.211 -16.298 11.052 1.00 0.00 H new ATOM 0 HG21 THR A 61 7.465 -16.377 8.220 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.309 -17.694 7.911 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.902 -16.405 9.069 1.00 0.00 H new ATOM 655 N PRO A 62 4.859 -19.926 8.844 1.00 0.00 N ATOM 656 CA PRO A 62 4.498 -20.962 7.870 1.00 0.00 C ATOM 657 C PRO A 62 5.494 -21.036 6.717 1.00 0.00 C ATOM 658 O PRO A 62 5.889 -20.010 6.156 1.00 0.00 O ATOM 659 CB PRO A 62 3.122 -20.520 7.358 1.00 0.00 C ATOM 660 CG PRO A 62 2.604 -19.588 8.400 1.00 0.00 C ATOM 661 CD PRO A 62 3.812 -18.900 8.964 1.00 0.00 C ATOM 0 HA PRO A 62 4.496 -21.956 8.317 1.00 0.00 H new ATOM 0 HB2 PRO A 62 3.201 -20.025 6.390 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.457 -21.374 7.226 1.00 0.00 H new ATOM 0 HG2 PRO A 62 1.908 -18.868 7.970 1.00 0.00 H new ATOM 0 HG3 PRO A 62 2.063 -20.130 9.176 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.063 -17.999 8.404 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.658 -18.598 10.000 1.00 0.00 H new ATOM 669 N LEU A 63 5.884 -22.250 6.362 1.00 0.00 N ATOM 670 CA LEU A 63 6.898 -22.467 5.338 1.00 0.00 C ATOM 671 C LEU A 63 6.369 -22.102 3.952 1.00 0.00 C ATOM 672 O LEU A 63 5.232 -22.425 3.603 1.00 0.00 O ATOM 673 CB LEU A 63 7.359 -23.927 5.351 1.00 0.00 C ATOM 674 CG LEU A 63 8.860 -24.132 5.555 1.00 0.00 C ATOM 675 CD1 LEU A 63 9.130 -24.804 6.892 1.00 0.00 C ATOM 676 CD2 LEU A 63 9.445 -24.951 4.414 1.00 0.00 C ATOM 0 H LEU A 63 5.511 -23.107 6.771 1.00 0.00 H new ATOM 0 HA LEU A 63 7.746 -21.820 5.562 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.825 -24.453 6.143 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.070 -24.391 4.408 1.00 0.00 H new ATOM 0 HG LEU A 63 9.345 -23.156 5.560 1.00 0.00 H new ATOM 0 HD11 LEU A 63 10.204 -24.942 7.020 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.746 -24.178 7.698 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.634 -25.774 6.918 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.514 -25.087 4.575 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.956 -25.925 4.377 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.284 -24.428 3.471 1.00 0.00 H new ATOM 688 N MET A 64 7.206 -21.440 3.163 1.00 0.00 N ATOM 689 CA MET A 64 6.826 -21.007 1.822 1.00 0.00 C ATOM 690 C MET A 64 7.991 -21.199 0.854 1.00 0.00 C ATOM 691 O MET A 64 9.107 -21.502 1.277 1.00 0.00 O ATOM 692 CB MET A 64 6.385 -19.538 1.834 1.00 0.00 C ATOM 693 CG MET A 64 7.530 -18.552 2.010 1.00 0.00 C ATOM 694 SD MET A 64 7.040 -16.849 1.671 1.00 0.00 S ATOM 695 CE MET A 64 8.510 -16.233 0.852 1.00 0.00 C ATOM 0 H MET A 64 8.158 -21.190 3.430 1.00 0.00 H new ATOM 0 HA MET A 64 5.987 -21.617 1.488 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.868 -19.316 0.900 1.00 0.00 H new ATOM 0 HB3 MET A 64 5.665 -19.391 2.639 1.00 0.00 H new ATOM 0 HG2 MET A 64 7.910 -18.620 3.029 1.00 0.00 H new ATOM 0 HG3 MET A 64 8.348 -18.829 1.346 1.00 0.00 H new ATOM 0 HE1 MET A 64 8.504 -15.143 0.865 1.00 0.00 H new ATOM 0 HE2 MET A 64 9.396 -16.597 1.372 1.00 0.00 H new ATOM 0 HE3 MET A 64 8.526 -16.584 -0.180 1.00 0.00 H new ATOM 705 N SER A 65 7.732 -21.025 -0.434 1.00 0.00 N ATOM 706 CA SER A 65 8.771 -21.168 -1.445 1.00 0.00 C ATOM 707 C SER A 65 9.346 -19.802 -1.806 1.00 0.00 C ATOM 708 O SER A 65 8.737 -18.769 -1.520 1.00 0.00 O ATOM 709 CB SER A 65 8.203 -21.848 -2.692 1.00 0.00 C ATOM 710 OG SER A 65 6.817 -22.114 -2.538 1.00 0.00 O ATOM 0 H SER A 65 6.812 -20.785 -0.804 1.00 0.00 H new ATOM 0 HA SER A 65 9.571 -21.789 -1.041 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.360 -21.211 -3.562 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.738 -22.779 -2.878 1.00 0.00 H new ATOM 0 HG SER A 65 6.475 -22.547 -3.348 1.00 0.00 H new ATOM 716 N ASP A 66 10.512 -19.805 -2.429 1.00 0.00 N ATOM 717 CA ASP A 66 11.178 -18.582 -2.831 1.00 0.00 C ATOM 718 C ASP A 66 12.125 -18.871 -3.991 1.00 0.00 C ATOM 719 O ASP A 66 13.285 -19.232 -3.788 1.00 0.00 O ATOM 720 CB ASP A 66 11.951 -17.978 -1.657 1.00 0.00 C ATOM 721 CG ASP A 66 12.822 -16.818 -2.088 1.00 0.00 C ATOM 722 OD1 ASP A 66 12.433 -16.100 -3.037 1.00 0.00 O ATOM 723 OD2 ASP A 66 13.903 -16.628 -1.491 1.00 0.00 O ATOM 0 H ASP A 66 11.022 -20.655 -2.669 1.00 0.00 H new ATOM 0 HA ASP A 66 10.426 -17.861 -3.152 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.248 -17.640 -0.896 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.572 -18.747 -1.198 1.00 0.00 H new ATOM 728 N PRO A 67 11.624 -18.756 -5.225 1.00 0.00 N ATOM 729 CA PRO A 67 12.418 -18.979 -6.427 1.00 0.00 C ATOM 730 C PRO A 67 13.113 -17.709 -6.906 1.00 0.00 C ATOM 731 O PRO A 67 13.936 -17.746 -7.821 1.00 0.00 O ATOM 732 CB PRO A 67 11.362 -19.417 -7.437 1.00 0.00 C ATOM 733 CG PRO A 67 10.128 -18.679 -7.039 1.00 0.00 C ATOM 734 CD PRO A 67 10.223 -18.430 -5.551 1.00 0.00 C ATOM 0 HA PRO A 67 13.222 -19.698 -6.271 1.00 0.00 H new ATOM 0 HB2 PRO A 67 11.661 -19.168 -8.455 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.206 -20.495 -7.405 1.00 0.00 H new ATOM 0 HG2 PRO A 67 10.049 -17.738 -7.583 1.00 0.00 H new ATOM 0 HG3 PRO A 67 9.237 -19.260 -7.277 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.986 -17.395 -5.303 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.527 -19.059 -4.996 1.00 0.00 H new ATOM 742 N PHE A 68 12.775 -16.588 -6.290 1.00 0.00 N ATOM 743 CA PHE A 68 13.270 -15.298 -6.755 1.00 0.00 C ATOM 744 C PHE A 68 14.364 -14.740 -5.849 1.00 0.00 C ATOM 745 O PHE A 68 15.224 -13.982 -6.297 1.00 0.00 O ATOM 746 CB PHE A 68 12.117 -14.296 -6.844 1.00 0.00 C ATOM 747 CG PHE A 68 12.101 -13.508 -8.123 1.00 0.00 C ATOM 748 CD1 PHE A 68 12.986 -12.461 -8.319 1.00 0.00 C ATOM 749 CD2 PHE A 68 11.198 -13.815 -9.128 1.00 0.00 C ATOM 750 CE1 PHE A 68 12.972 -11.736 -9.494 1.00 0.00 C ATOM 751 CE2 PHE A 68 11.180 -13.095 -10.304 1.00 0.00 C ATOM 752 CZ PHE A 68 12.066 -12.052 -10.488 1.00 0.00 C ATOM 0 H PHE A 68 12.165 -16.542 -5.474 1.00 0.00 H new ATOM 0 HA PHE A 68 13.705 -15.455 -7.742 1.00 0.00 H new ATOM 0 HB2 PHE A 68 11.173 -14.832 -6.746 1.00 0.00 H new ATOM 0 HB3 PHE A 68 12.181 -13.606 -6.003 1.00 0.00 H new ATOM 0 HD1 PHE A 68 13.695 -12.209 -7.544 1.00 0.00 H new ATOM 0 HD2 PHE A 68 10.500 -14.627 -8.989 1.00 0.00 H new ATOM 0 HE1 PHE A 68 13.668 -10.923 -9.636 1.00 0.00 H new ATOM 0 HE2 PHE A 68 10.473 -13.347 -11.081 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.051 -11.485 -11.407 1.00 0.00 H new ATOM 762 N GLY A 69 14.333 -15.117 -4.587 1.00 0.00 N ATOM 763 CA GLY A 69 15.251 -14.554 -3.628 1.00 0.00 C ATOM 764 C GLY A 69 14.577 -13.448 -2.859 1.00 0.00 C ATOM 765 O GLY A 69 15.212 -12.480 -2.432 1.00 0.00 O ATOM 0 H GLY A 69 13.685 -15.807 -4.207 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.594 -15.329 -2.942 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.133 -14.168 -4.139 1.00 0.00 H new ATOM 769 N THR A 70 13.271 -13.600 -2.688 1.00 0.00 N ATOM 770 CA THR A 70 12.445 -12.575 -2.089 1.00 0.00 C ATOM 771 C THR A 70 12.493 -12.666 -0.572 1.00 0.00 C ATOM 772 O THR A 70 11.670 -13.333 0.054 1.00 0.00 O ATOM 773 CB THR A 70 10.990 -12.688 -2.572 1.00 0.00 C ATOM 774 OG1 THR A 70 10.972 -13.136 -3.934 1.00 0.00 O ATOM 775 CG2 THR A 70 10.273 -11.348 -2.466 1.00 0.00 C ATOM 0 H THR A 70 12.760 -14.439 -2.962 1.00 0.00 H new ATOM 0 HA THR A 70 12.840 -11.607 -2.398 1.00 0.00 H new ATOM 0 HB THR A 70 10.471 -13.406 -1.937 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.045 -13.210 -4.242 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.246 -11.456 -2.814 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.271 -11.017 -1.427 1.00 0.00 H new ATOM 0 HG23 THR A 70 10.788 -10.610 -3.081 1.00 0.00 H new ATOM 783 N ASN A 71 13.459 -11.985 0.013 1.00 0.00 N ATOM 784 CA ASN A 71 13.659 -12.039 1.447 1.00 0.00 C ATOM 785 C ASN A 71 12.829 -10.965 2.139 1.00 0.00 C ATOM 786 O ASN A 71 13.367 -10.027 2.731 1.00 0.00 O ATOM 787 CB ASN A 71 15.142 -11.874 1.780 1.00 0.00 C ATOM 788 CG ASN A 71 15.791 -13.185 2.191 1.00 0.00 C ATOM 789 OD1 ASN A 71 15.881 -13.507 3.375 1.00 0.00 O ATOM 790 ND2 ASN A 71 16.236 -13.956 1.210 1.00 0.00 N ATOM 0 H ASN A 71 14.119 -11.387 -0.484 1.00 0.00 H new ATOM 0 HA ASN A 71 13.330 -13.012 1.811 1.00 0.00 H new ATOM 0 HB2 ASN A 71 15.664 -11.469 0.913 1.00 0.00 H new ATOM 0 HB3 ASN A 71 15.252 -11.148 2.586 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.672 -14.853 1.424 1.00 0.00 H new ATOM 0 HD22 ASN A 71 16.142 -13.653 0.241 1.00 0.00 H new ATOM 797 N THR A 72 11.516 -11.095 2.037 1.00 0.00 N ATOM 798 CA THR A 72 10.596 -10.188 2.708 1.00 0.00 C ATOM 799 C THR A 72 9.394 -10.951 3.245 1.00 0.00 C ATOM 800 O THR A 72 8.852 -11.829 2.574 1.00 0.00 O ATOM 801 CB THR A 72 10.095 -9.076 1.771 1.00 0.00 C ATOM 802 OG1 THR A 72 10.683 -9.221 0.473 1.00 0.00 O ATOM 803 CG2 THR A 72 10.430 -7.703 2.326 1.00 0.00 C ATOM 0 H THR A 72 11.060 -11.826 1.491 1.00 0.00 H new ATOM 0 HA THR A 72 11.149 -9.729 3.528 1.00 0.00 H new ATOM 0 HB THR A 72 9.012 -9.167 1.693 1.00 0.00 H new ATOM 0 HG1 THR A 72 10.356 -8.509 -0.116 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.064 -6.936 1.644 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.956 -7.579 3.300 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.510 -7.608 2.434 1.00 0.00 H new ATOM 811 N TRP A 73 8.992 -10.619 4.458 1.00 0.00 N ATOM 812 CA TRP A 73 7.844 -11.253 5.082 1.00 0.00 C ATOM 813 C TRP A 73 6.840 -10.206 5.529 1.00 0.00 C ATOM 814 O TRP A 73 7.203 -9.055 5.760 1.00 0.00 O ATOM 815 CB TRP A 73 8.295 -12.104 6.272 1.00 0.00 C ATOM 816 CG TRP A 73 8.413 -13.560 5.934 1.00 0.00 C ATOM 817 CD1 TRP A 73 7.869 -14.193 4.852 1.00 0.00 C ATOM 818 CD2 TRP A 73 9.123 -14.564 6.671 1.00 0.00 C ATOM 819 NE1 TRP A 73 8.196 -15.526 4.872 1.00 0.00 N ATOM 820 CE2 TRP A 73 8.965 -15.779 5.978 1.00 0.00 C ATOM 821 CE3 TRP A 73 9.875 -14.555 7.849 1.00 0.00 C ATOM 822 CZ2 TRP A 73 9.535 -16.971 6.421 1.00 0.00 C ATOM 823 CZ3 TRP A 73 10.439 -15.738 8.288 1.00 0.00 C ATOM 824 CH2 TRP A 73 10.265 -16.932 7.575 1.00 0.00 C ATOM 0 H TRP A 73 9.446 -9.910 5.034 1.00 0.00 H new ATOM 0 HA TRP A 73 7.362 -11.902 4.351 1.00 0.00 H new ATOM 0 HB2 TRP A 73 9.258 -11.739 6.629 1.00 0.00 H new ATOM 0 HB3 TRP A 73 7.585 -11.982 7.090 1.00 0.00 H new ATOM 0 HD1 TRP A 73 7.269 -13.714 4.092 1.00 0.00 H new ATOM 0 HE1 TRP A 73 7.913 -16.216 4.177 1.00 0.00 H new ATOM 0 HE3 TRP A 73 10.013 -13.640 8.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 9.404 -17.892 5.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 11.024 -15.742 9.196 1.00 0.00 H new ATOM 0 HH2 TRP A 73 10.717 -17.840 7.946 1.00 0.00 H new ATOM 835 N PHE A 74 5.583 -10.600 5.641 1.00 0.00 N ATOM 836 CA PHE A 74 4.532 -9.680 6.046 1.00 0.00 C ATOM 837 C PHE A 74 3.580 -10.356 7.022 1.00 0.00 C ATOM 838 O PHE A 74 3.173 -11.499 6.814 1.00 0.00 O ATOM 839 CB PHE A 74 3.757 -9.154 4.827 1.00 0.00 C ATOM 840 CG PHE A 74 3.879 -10.011 3.597 1.00 0.00 C ATOM 841 CD1 PHE A 74 3.111 -11.157 3.453 1.00 0.00 C ATOM 842 CD2 PHE A 74 4.760 -9.669 2.585 1.00 0.00 C ATOM 843 CE1 PHE A 74 3.222 -11.945 2.322 1.00 0.00 C ATOM 844 CE2 PHE A 74 4.875 -10.451 1.452 1.00 0.00 C ATOM 845 CZ PHE A 74 4.107 -11.590 1.320 1.00 0.00 C ATOM 0 H PHE A 74 5.264 -11.551 5.457 1.00 0.00 H new ATOM 0 HA PHE A 74 5.002 -8.831 6.543 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.703 -9.067 5.091 1.00 0.00 H new ATOM 0 HB3 PHE A 74 4.111 -8.150 4.592 1.00 0.00 H new ATOM 0 HD1 PHE A 74 2.418 -11.437 4.233 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.365 -8.780 2.683 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.619 -12.835 2.221 1.00 0.00 H new ATOM 0 HE2 PHE A 74 5.565 -10.171 0.670 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.197 -12.203 0.436 1.00 0.00 H new ATOM 855 N TYR A 75 3.248 -9.653 8.093 1.00 0.00 N ATOM 856 CA TYR A 75 2.322 -10.169 9.091 1.00 0.00 C ATOM 857 C TYR A 75 1.138 -9.224 9.251 1.00 0.00 C ATOM 858 O TYR A 75 1.293 -8.005 9.128 1.00 0.00 O ATOM 859 CB TYR A 75 3.032 -10.341 10.433 1.00 0.00 C ATOM 860 CG TYR A 75 3.698 -11.686 10.600 1.00 0.00 C ATOM 861 CD1 TYR A 75 2.996 -12.769 11.111 1.00 0.00 C ATOM 862 CD2 TYR A 75 5.030 -11.870 10.253 1.00 0.00 C ATOM 863 CE1 TYR A 75 3.603 -13.999 11.274 1.00 0.00 C ATOM 864 CE2 TYR A 75 5.642 -13.097 10.410 1.00 0.00 C ATOM 865 CZ TYR A 75 4.926 -14.156 10.921 1.00 0.00 C ATOM 866 OH TYR A 75 5.535 -15.376 11.084 1.00 0.00 O ATOM 0 H TYR A 75 3.607 -8.720 8.295 1.00 0.00 H new ATOM 0 HA TYR A 75 1.958 -11.140 8.756 1.00 0.00 H new ATOM 0 HB2 TYR A 75 3.783 -9.558 10.540 1.00 0.00 H new ATOM 0 HB3 TYR A 75 2.309 -10.201 11.237 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.959 -12.648 11.386 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.595 -11.041 9.854 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.045 -14.832 11.675 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.678 -13.226 10.133 1.00 0.00 H new ATOM 0 HH TYR A 75 4.870 -16.089 10.987 1.00 0.00 H new ATOM 876 N VAL A 76 -0.036 -9.776 9.533 1.00 0.00 N ATOM 877 CA VAL A 76 -1.228 -8.963 9.709 1.00 0.00 C ATOM 878 C VAL A 76 -1.290 -8.458 11.141 1.00 0.00 C ATOM 879 O VAL A 76 -1.437 -9.238 12.086 1.00 0.00 O ATOM 880 CB VAL A 76 -2.519 -9.739 9.371 1.00 0.00 C ATOM 881 CG1 VAL A 76 -3.671 -8.775 9.133 1.00 0.00 C ATOM 882 CG2 VAL A 76 -2.312 -10.632 8.157 1.00 0.00 C ATOM 0 H VAL A 76 -0.186 -10.779 9.644 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.162 -8.124 9.016 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.767 -10.374 10.221 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -4.574 -9.338 8.896 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.840 -8.181 10.031 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.427 -8.114 8.301 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.235 -11.169 7.938 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.036 -10.020 7.298 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.517 -11.348 8.363 1.00 0.00 H new ATOM 892 N PHE A 77 -1.174 -7.153 11.293 1.00 0.00 N ATOM 893 CA PHE A 77 -1.011 -6.547 12.600 1.00 0.00 C ATOM 894 C PHE A 77 -2.336 -6.107 13.195 1.00 0.00 C ATOM 895 O PHE A 77 -3.115 -5.400 12.555 1.00 0.00 O ATOM 896 CB PHE A 77 -0.084 -5.340 12.501 1.00 0.00 C ATOM 897 CG PHE A 77 1.266 -5.568 13.104 1.00 0.00 C ATOM 898 CD1 PHE A 77 1.890 -6.798 12.995 1.00 0.00 C ATOM 899 CD2 PHE A 77 1.916 -4.549 13.779 1.00 0.00 C ATOM 900 CE1 PHE A 77 3.127 -7.007 13.541 1.00 0.00 C ATOM 901 CE2 PHE A 77 3.163 -4.758 14.329 1.00 0.00 C ATOM 902 CZ PHE A 77 3.769 -5.991 14.204 1.00 0.00 C ATOM 0 H PHE A 77 -1.190 -6.487 10.520 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.580 -7.304 13.255 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.037 -5.071 11.452 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.554 -4.490 12.996 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.395 -7.603 12.473 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.443 -3.583 13.876 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.600 -7.974 13.450 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.664 -3.959 14.856 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.748 -6.157 14.628 1.00 0.00 H new ATOM 912 N ARG A 78 -2.586 -6.530 14.425 1.00 0.00 N ATOM 913 CA ARG A 78 -3.703 -6.008 15.187 1.00 0.00 C ATOM 914 C ARG A 78 -3.328 -4.634 15.725 1.00 0.00 C ATOM 915 O ARG A 78 -2.567 -4.517 16.686 1.00 0.00 O ATOM 916 CB ARG A 78 -4.064 -6.955 16.334 1.00 0.00 C ATOM 917 CG ARG A 78 -5.192 -7.917 16.000 1.00 0.00 C ATOM 918 CD ARG A 78 -6.405 -7.187 15.445 1.00 0.00 C ATOM 919 NE ARG A 78 -7.616 -8.003 15.509 1.00 0.00 N ATOM 920 CZ ARG A 78 -8.637 -7.759 16.332 1.00 0.00 C ATOM 921 NH1 ARG A 78 -8.578 -6.743 17.190 1.00 0.00 N ATOM 922 NH2 ARG A 78 -9.713 -8.536 16.298 1.00 0.00 N ATOM 0 H ARG A 78 -2.030 -7.232 14.913 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.577 -5.923 14.541 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.180 -7.528 16.612 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.348 -6.365 17.205 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.843 -8.649 15.272 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.477 -8.469 16.896 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.560 -6.265 16.005 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.214 -6.903 14.410 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.685 -8.808 14.886 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.750 -6.148 17.220 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.361 -6.560 17.818 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.757 -9.317 15.644 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.495 -8.352 16.926 1.00 0.00 H new ATOM 936 N GLN A 79 -3.857 -3.601 15.092 1.00 0.00 N ATOM 937 CA GLN A 79 -3.451 -2.238 15.388 1.00 0.00 C ATOM 938 C GLN A 79 -4.652 -1.299 15.366 1.00 0.00 C ATOM 939 O GLN A 79 -5.734 -1.676 14.915 1.00 0.00 O ATOM 940 CB GLN A 79 -2.404 -1.791 14.361 1.00 0.00 C ATOM 941 CG GLN A 79 -1.444 -0.713 14.851 1.00 0.00 C ATOM 942 CD GLN A 79 -1.108 -0.829 16.329 1.00 0.00 C ATOM 943 OE1 GLN A 79 -1.888 -0.419 17.189 1.00 0.00 O ATOM 944 NE2 GLN A 79 0.058 -1.377 16.632 1.00 0.00 N ATOM 0 H GLN A 79 -4.571 -3.681 14.368 1.00 0.00 H new ATOM 0 HA GLN A 79 -3.018 -2.203 16.388 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.824 -2.661 14.053 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -2.920 -1.422 13.475 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.522 -0.767 14.271 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.883 0.267 14.662 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.676 -1.704 15.889 1.00 0.00 H new ATOM 0 HE22 GLN A 79 0.339 -1.472 17.608 1.00 0.00 H new ATOM 953 N GLN A 80 -4.452 -0.082 15.856 1.00 0.00 N ATOM 954 CA GLN A 80 -5.510 0.915 15.894 1.00 0.00 C ATOM 955 C GLN A 80 -5.839 1.418 14.484 1.00 0.00 C ATOM 956 O GLN A 80 -4.949 1.795 13.714 1.00 0.00 O ATOM 957 CB GLN A 80 -5.120 2.075 16.830 1.00 0.00 C ATOM 958 CG GLN A 80 -4.309 3.187 16.176 1.00 0.00 C ATOM 959 CD GLN A 80 -2.834 2.855 16.051 1.00 0.00 C ATOM 960 OE1 GLN A 80 -2.081 2.926 17.021 1.00 0.00 O ATOM 961 NE2 GLN A 80 -2.415 2.487 14.853 1.00 0.00 N ATOM 0 H GLN A 80 -3.560 0.238 16.234 1.00 0.00 H new ATOM 0 HA GLN A 80 -6.412 0.450 16.292 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.030 2.507 17.247 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -4.547 1.671 17.665 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -4.715 3.389 15.185 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -4.421 4.101 16.759 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -3.073 2.441 14.075 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -1.434 2.249 14.707 1.00 0.00 H new ATOM 970 N PRO A 81 -7.124 1.374 14.110 1.00 0.00 N ATOM 971 CA PRO A 81 -7.587 1.834 12.811 1.00 0.00 C ATOM 972 C PRO A 81 -8.055 3.291 12.811 1.00 0.00 C ATOM 973 O PRO A 81 -7.831 4.019 11.849 1.00 0.00 O ATOM 974 CB PRO A 81 -8.759 0.893 12.521 1.00 0.00 C ATOM 975 CG PRO A 81 -9.224 0.375 13.855 1.00 0.00 C ATOM 976 CD PRO A 81 -8.228 0.819 14.900 1.00 0.00 C ATOM 0 HA PRO A 81 -6.791 1.812 12.067 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.563 1.420 12.007 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.449 0.074 11.872 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.217 0.759 14.088 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.298 -0.712 13.837 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -8.656 1.564 15.570 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -7.898 -0.015 15.520 1.00 0.00 H new ATOM 984 N GLY A 82 -8.704 3.712 13.891 1.00 0.00 N ATOM 985 CA GLY A 82 -9.279 5.042 13.928 1.00 0.00 C ATOM 986 C GLY A 82 -10.624 5.071 13.234 1.00 0.00 C ATOM 987 O GLY A 82 -11.338 4.065 13.231 1.00 0.00 O ATOM 0 H GLY A 82 -8.841 3.159 14.737 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.393 5.364 14.963 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.602 5.748 13.447 1.00 0.00 H new ATOM 991 N HIS A 83 -10.981 6.199 12.637 1.00 0.00 N ATOM 992 CA HIS A 83 -12.255 6.297 11.936 1.00 0.00 C ATOM 993 C HIS A 83 -12.105 6.999 10.592 1.00 0.00 C ATOM 994 O HIS A 83 -12.814 7.962 10.297 1.00 0.00 O ATOM 995 CB HIS A 83 -13.300 7.009 12.797 1.00 0.00 C ATOM 996 CG HIS A 83 -14.523 6.179 13.025 1.00 0.00 C ATOM 997 ND1 HIS A 83 -15.791 6.586 12.673 1.00 0.00 N ATOM 998 CD2 HIS A 83 -14.660 4.937 13.544 1.00 0.00 C ATOM 999 CE1 HIS A 83 -16.656 5.634 12.963 1.00 0.00 C ATOM 1000 NE2 HIS A 83 -15.995 4.624 13.494 1.00 0.00 N ATOM 0 H HIS A 83 -10.416 7.048 12.623 1.00 0.00 H new ATOM 0 HA HIS A 83 -12.598 5.280 11.745 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -12.857 7.268 13.759 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -13.585 7.944 12.315 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -13.868 4.310 13.926 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -17.722 5.674 12.795 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -16.410 3.750 13.816 1.00 0.00 H new ATOM 1009 N GLU A 84 -11.176 6.514 9.782 1.00 0.00 N ATOM 1010 CA GLU A 84 -11.025 7.005 8.420 1.00 0.00 C ATOM 1011 C GLU A 84 -11.430 5.926 7.425 1.00 0.00 C ATOM 1012 O GLU A 84 -11.902 6.224 6.330 1.00 0.00 O ATOM 1013 CB GLU A 84 -9.587 7.452 8.152 1.00 0.00 C ATOM 1014 CG GLU A 84 -9.378 8.953 8.282 1.00 0.00 C ATOM 1015 CD GLU A 84 -10.582 9.770 7.839 1.00 0.00 C ATOM 1016 OE1 GLU A 84 -11.206 9.430 6.810 1.00 0.00 O ATOM 1017 OE2 GLU A 84 -10.903 10.767 8.510 1.00 0.00 O ATOM 0 H GLU A 84 -10.516 5.782 10.043 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.679 7.869 8.297 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.921 6.940 8.847 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.300 7.140 7.148 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.148 9.192 9.320 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.512 9.245 7.688 1.00 0.00 H new ATOM 1024 N GLY A 85 -11.226 4.673 7.810 1.00 0.00 N ATOM 1025 CA GLY A 85 -11.648 3.558 6.983 1.00 0.00 C ATOM 1026 C GLY A 85 -10.498 2.910 6.247 1.00 0.00 C ATOM 1027 O GLY A 85 -10.490 1.696 6.031 1.00 0.00 O ATOM 0 H GLY A 85 -10.773 4.408 8.685 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -12.140 2.813 7.608 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.387 3.906 6.261 1.00 0.00 H new ATOM 1031 N VAL A 86 -9.522 3.714 5.867 1.00 0.00 N ATOM 1032 CA VAL A 86 -8.370 3.214 5.140 1.00 0.00 C ATOM 1033 C VAL A 86 -7.135 3.382 6.001 1.00 0.00 C ATOM 1034 O VAL A 86 -6.420 4.379 5.900 1.00 0.00 O ATOM 1035 CB VAL A 86 -8.170 3.939 3.785 1.00 0.00 C ATOM 1036 CG1 VAL A 86 -7.369 3.066 2.828 1.00 0.00 C ATOM 1037 CG2 VAL A 86 -9.510 4.334 3.164 1.00 0.00 C ATOM 0 H VAL A 86 -9.504 4.717 6.050 1.00 0.00 H new ATOM 0 HA VAL A 86 -8.542 2.161 4.918 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.609 4.855 3.972 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.237 3.590 1.881 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.393 2.851 3.262 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -7.903 2.132 2.655 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -9.336 4.840 2.215 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -10.110 3.440 2.994 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -10.041 5.004 3.840 1.00 0.00 H new ATOM 1047 N THR A 87 -6.892 2.400 6.846 1.00 0.00 N ATOM 1048 CA THR A 87 -5.820 2.475 7.811 1.00 0.00 C ATOM 1049 C THR A 87 -5.481 1.078 8.313 1.00 0.00 C ATOM 1050 O THR A 87 -6.168 0.529 9.175 1.00 0.00 O ATOM 1051 CB THR A 87 -6.211 3.391 8.994 1.00 0.00 C ATOM 1052 OG1 THR A 87 -6.398 4.737 8.529 1.00 0.00 O ATOM 1053 CG2 THR A 87 -5.151 3.372 10.088 1.00 0.00 C ATOM 0 H THR A 87 -7.430 1.534 6.881 1.00 0.00 H new ATOM 0 HA THR A 87 -4.943 2.903 7.326 1.00 0.00 H new ATOM 0 HB THR A 87 -7.142 3.013 9.416 1.00 0.00 H new ATOM 0 HG1 THR A 87 -6.141 4.796 7.585 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.458 4.027 10.904 1.00 0.00 H new ATOM 0 HG22 THR A 87 -5.033 2.355 10.463 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.202 3.721 9.681 1.00 0.00 H new ATOM 1061 N GLN A 88 -4.441 0.497 7.738 1.00 0.00 N ATOM 1062 CA GLN A 88 -3.986 -0.821 8.131 1.00 0.00 C ATOM 1063 C GLN A 88 -2.477 -0.913 7.985 1.00 0.00 C ATOM 1064 O GLN A 88 -1.948 -0.957 6.877 1.00 0.00 O ATOM 1065 CB GLN A 88 -4.664 -1.904 7.296 1.00 0.00 C ATOM 1066 CG GLN A 88 -5.057 -3.131 8.104 1.00 0.00 C ATOM 1067 CD GLN A 88 -3.911 -3.694 8.929 1.00 0.00 C ATOM 1068 OE1 GLN A 88 -3.074 -4.437 8.420 1.00 0.00 O ATOM 1069 NE2 GLN A 88 -3.861 -3.340 10.208 1.00 0.00 N ATOM 0 H GLN A 88 -3.893 0.924 6.991 1.00 0.00 H new ATOM 0 HA GLN A 88 -4.255 -0.981 9.175 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.555 -1.486 6.827 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.993 -2.207 6.493 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -5.882 -2.873 8.768 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -5.423 -3.903 7.427 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -4.574 -2.721 10.594 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -3.109 -3.687 10.804 1.00 0.00 H new ATOM 1078 N GLN A 89 -1.799 -0.921 9.114 1.00 0.00 N ATOM 1079 CA GLN A 89 -0.354 -0.982 9.136 1.00 0.00 C ATOM 1080 C GLN A 89 0.091 -2.433 9.192 1.00 0.00 C ATOM 1081 O GLN A 89 -0.305 -3.179 10.085 1.00 0.00 O ATOM 1082 CB GLN A 89 0.197 -0.193 10.334 1.00 0.00 C ATOM 1083 CG GLN A 89 -0.714 -0.193 11.553 1.00 0.00 C ATOM 1084 CD GLN A 89 -1.857 0.804 11.452 1.00 0.00 C ATOM 1085 OE1 GLN A 89 -1.684 1.934 11.006 1.00 0.00 O ATOM 1086 NE2 GLN A 89 -3.040 0.377 11.860 1.00 0.00 N ATOM 0 H GLN A 89 -2.232 -0.886 10.037 1.00 0.00 H new ATOM 0 HA GLN A 89 0.040 -0.528 8.227 1.00 0.00 H new ATOM 0 HB2 GLN A 89 1.163 -0.611 10.616 1.00 0.00 H new ATOM 0 HB3 GLN A 89 0.373 0.838 10.026 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.125 -1.193 11.690 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -0.122 0.033 12.440 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -3.142 -0.570 12.225 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -3.850 0.995 11.810 1.00 0.00 H new ATOM 1095 N THR A 90 0.903 -2.824 8.226 1.00 0.00 N ATOM 1096 CA THR A 90 1.378 -4.192 8.132 1.00 0.00 C ATOM 1097 C THR A 90 2.853 -4.262 8.502 1.00 0.00 C ATOM 1098 O THR A 90 3.634 -3.392 8.111 1.00 0.00 O ATOM 1099 CB THR A 90 1.180 -4.743 6.704 1.00 0.00 C ATOM 1100 OG1 THR A 90 0.583 -3.736 5.871 1.00 0.00 O ATOM 1101 CG2 THR A 90 0.292 -5.975 6.726 1.00 0.00 C ATOM 0 H THR A 90 1.249 -2.208 7.491 1.00 0.00 H new ATOM 0 HA THR A 90 0.800 -4.800 8.828 1.00 0.00 H new ATOM 0 HB THR A 90 2.155 -5.019 6.302 1.00 0.00 H new ATOM 0 HG1 THR A 90 0.461 -4.090 4.966 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.164 -6.349 5.710 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.755 -6.746 7.341 1.00 0.00 H new ATOM 0 HG23 THR A 90 -0.681 -5.715 7.142 1.00 0.00 H new ATOM 1109 N LEU A 91 3.234 -5.281 9.255 1.00 0.00 N ATOM 1110 CA LEU A 91 4.628 -5.445 9.627 1.00 0.00 C ATOM 1111 C LEU A 91 5.362 -6.165 8.505 1.00 0.00 C ATOM 1112 O LEU A 91 5.052 -7.311 8.171 1.00 0.00 O ATOM 1113 CB LEU A 91 4.759 -6.201 10.966 1.00 0.00 C ATOM 1114 CG LEU A 91 5.911 -7.208 11.069 1.00 0.00 C ATOM 1115 CD1 LEU A 91 7.263 -6.506 11.052 1.00 0.00 C ATOM 1116 CD2 LEU A 91 5.795 -8.071 12.315 1.00 0.00 C ATOM 0 H LEU A 91 2.606 -5.999 9.617 1.00 0.00 H new ATOM 0 HA LEU A 91 5.081 -4.464 9.772 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.874 -5.467 11.763 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.825 -6.730 11.153 1.00 0.00 H new ATOM 0 HG LEU A 91 5.840 -7.856 10.195 1.00 0.00 H new ATOM 0 HD11 LEU A 91 8.059 -7.247 11.127 1.00 0.00 H new ATOM 0 HD12 LEU A 91 7.372 -5.949 10.122 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.327 -5.819 11.896 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.629 -8.771 12.352 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.815 -7.436 13.201 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.857 -8.626 12.287 1.00 0.00 H new ATOM 1128 N THR A 92 6.301 -5.460 7.901 1.00 0.00 N ATOM 1129 CA THR A 92 7.110 -6.020 6.839 1.00 0.00 C ATOM 1130 C THR A 92 8.514 -6.309 7.346 1.00 0.00 C ATOM 1131 O THR A 92 9.129 -5.486 8.022 1.00 0.00 O ATOM 1132 CB THR A 92 7.178 -5.067 5.634 1.00 0.00 C ATOM 1133 OG1 THR A 92 5.988 -4.268 5.583 1.00 0.00 O ATOM 1134 CG2 THR A 92 7.328 -5.843 4.338 1.00 0.00 C ATOM 0 H THR A 92 6.522 -4.491 8.132 1.00 0.00 H new ATOM 0 HA THR A 92 6.644 -6.951 6.516 1.00 0.00 H new ATOM 0 HB THR A 92 8.049 -4.422 5.753 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.035 -3.660 4.815 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.374 -5.147 3.500 1.00 0.00 H new ATOM 0 HG22 THR A 92 8.244 -6.432 4.371 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.474 -6.508 4.211 1.00 0.00 H new ATOM 1142 N LEU A 93 9.001 -7.490 7.044 1.00 0.00 N ATOM 1143 CA LEU A 93 10.329 -7.896 7.455 1.00 0.00 C ATOM 1144 C LEU A 93 11.233 -8.007 6.242 1.00 0.00 C ATOM 1145 O LEU A 93 10.946 -8.761 5.321 1.00 0.00 O ATOM 1146 CB LEU A 93 10.264 -9.234 8.180 1.00 0.00 C ATOM 1147 CG LEU A 93 9.440 -9.228 9.468 1.00 0.00 C ATOM 1148 CD1 LEU A 93 8.183 -10.067 9.306 1.00 0.00 C ATOM 1149 CD2 LEU A 93 10.273 -9.732 10.636 1.00 0.00 C ATOM 0 H LEU A 93 8.493 -8.195 6.510 1.00 0.00 H new ATOM 0 HA LEU A 93 10.735 -7.146 8.134 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.846 -9.978 7.502 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.279 -9.552 8.417 1.00 0.00 H new ATOM 0 HG LEU A 93 9.140 -8.201 9.677 1.00 0.00 H new ATOM 0 HD11 LEU A 93 7.611 -10.049 10.234 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.575 -9.660 8.498 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.459 -11.095 9.070 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.670 -9.721 11.544 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.605 -10.750 10.433 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.141 -9.087 10.769 1.00 0.00 H new ATOM 1161 N THR A 94 12.321 -7.263 6.247 1.00 0.00 N ATOM 1162 CA THR A 94 13.217 -7.229 5.112 1.00 0.00 C ATOM 1163 C THR A 94 14.559 -7.819 5.492 1.00 0.00 C ATOM 1164 O THR A 94 15.267 -7.272 6.338 1.00 0.00 O ATOM 1165 CB THR A 94 13.416 -5.789 4.600 1.00 0.00 C ATOM 1166 OG1 THR A 94 12.395 -4.929 5.131 1.00 0.00 O ATOM 1167 CG2 THR A 94 13.384 -5.748 3.081 1.00 0.00 C ATOM 0 H THR A 94 12.605 -6.672 7.028 1.00 0.00 H new ATOM 0 HA THR A 94 12.768 -7.820 4.314 1.00 0.00 H new ATOM 0 HB THR A 94 14.392 -5.439 4.937 1.00 0.00 H new ATOM 0 HG1 THR A 94 12.546 -4.795 6.090 1.00 0.00 H new ATOM 0 HG21 THR A 94 13.526 -4.722 2.742 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.181 -6.376 2.683 1.00 0.00 H new ATOM 0 HG23 THR A 94 12.421 -6.117 2.727 1.00 0.00 H new ATOM 1175 N PHE A 95 14.902 -8.937 4.885 1.00 0.00 N ATOM 1176 CA PHE A 95 16.155 -9.598 5.175 1.00 0.00 C ATOM 1177 C PHE A 95 17.045 -9.537 3.954 1.00 0.00 C ATOM 1178 O PHE A 95 16.563 -9.335 2.839 1.00 0.00 O ATOM 1179 CB PHE A 95 15.947 -11.066 5.582 1.00 0.00 C ATOM 1180 CG PHE A 95 14.562 -11.405 6.052 1.00 0.00 C ATOM 1181 CD1 PHE A 95 14.196 -11.203 7.371 1.00 0.00 C ATOM 1182 CD2 PHE A 95 13.628 -11.935 5.178 1.00 0.00 C ATOM 1183 CE1 PHE A 95 12.925 -11.522 7.807 1.00 0.00 C ATOM 1184 CE2 PHE A 95 12.357 -12.256 5.608 1.00 0.00 C ATOM 1185 CZ PHE A 95 12.005 -12.048 6.924 1.00 0.00 C ATOM 0 H PHE A 95 14.327 -9.407 4.186 1.00 0.00 H new ATOM 0 HA PHE A 95 16.621 -9.082 6.014 1.00 0.00 H new ATOM 0 HB2 PHE A 95 16.191 -11.701 4.731 1.00 0.00 H new ATOM 0 HB3 PHE A 95 16.653 -11.311 6.375 1.00 0.00 H new ATOM 0 HD1 PHE A 95 14.912 -10.791 8.067 1.00 0.00 H new ATOM 0 HD2 PHE A 95 13.898 -12.099 4.145 1.00 0.00 H new ATOM 0 HE1 PHE A 95 12.651 -11.360 8.839 1.00 0.00 H new ATOM 0 HE2 PHE A 95 11.639 -12.669 4.915 1.00 0.00 H new ATOM 0 HZ PHE A 95 11.010 -12.296 7.264 1.00 0.00 H new ATOM 1195 N ASN A 96 18.337 -9.687 4.161 1.00 0.00 N ATOM 1196 CA ASN A 96 19.254 -9.814 3.050 1.00 0.00 C ATOM 1197 C ASN A 96 19.331 -11.280 2.656 1.00 0.00 C ATOM 1198 O ASN A 96 18.843 -12.137 3.396 1.00 0.00 O ATOM 1199 CB ASN A 96 20.646 -9.258 3.394 1.00 0.00 C ATOM 1200 CG ASN A 96 21.238 -9.827 4.673 1.00 0.00 C ATOM 1201 OD1 ASN A 96 20.994 -10.975 5.039 1.00 0.00 O ATOM 1202 ND2 ASN A 96 22.029 -9.015 5.356 1.00 0.00 N ATOM 0 H ASN A 96 18.773 -9.724 5.083 1.00 0.00 H new ATOM 0 HA ASN A 96 18.886 -9.224 2.211 1.00 0.00 H new ATOM 0 HB2 ASN A 96 21.324 -9.467 2.567 1.00 0.00 H new ATOM 0 HB3 ASN A 96 20.581 -8.174 3.486 1.00 0.00 H new ATOM 0 HD21 ASN A 96 22.463 -9.335 6.222 1.00 0.00 H new ATOM 0 HD22 ASN A 96 22.205 -8.069 5.016 1.00 0.00 H new ATOM 1209 N SER A 97 19.949 -11.566 1.515 1.00 0.00 N ATOM 1210 CA SER A 97 19.973 -12.914 0.949 1.00 0.00 C ATOM 1211 C SER A 97 20.567 -13.947 1.912 1.00 0.00 C ATOM 1212 O SER A 97 20.275 -15.138 1.809 1.00 0.00 O ATOM 1213 CB SER A 97 20.757 -12.893 -0.359 1.00 0.00 C ATOM 1214 OG SER A 97 20.736 -11.591 -0.928 1.00 0.00 O ATOM 0 H SER A 97 20.447 -10.873 0.956 1.00 0.00 H new ATOM 0 HA SER A 97 18.943 -13.218 0.765 1.00 0.00 H new ATOM 0 HB2 SER A 97 21.787 -13.201 -0.178 1.00 0.00 H new ATOM 0 HB3 SER A 97 20.328 -13.610 -1.059 1.00 0.00 H new ATOM 0 HG SER A 97 21.244 -11.592 -1.766 1.00 0.00 H new ATOM 1220 N SER A 98 21.385 -13.492 2.854 1.00 0.00 N ATOM 1221 CA SER A 98 21.958 -14.380 3.860 1.00 0.00 C ATOM 1222 C SER A 98 20.898 -14.789 4.888 1.00 0.00 C ATOM 1223 O SER A 98 21.109 -15.702 5.689 1.00 0.00 O ATOM 1224 CB SER A 98 23.129 -13.680 4.547 1.00 0.00 C ATOM 1225 OG SER A 98 23.620 -12.622 3.736 1.00 0.00 O ATOM 0 H SER A 98 21.666 -12.516 2.943 1.00 0.00 H new ATOM 0 HA SER A 98 22.318 -15.286 3.372 1.00 0.00 H new ATOM 0 HB2 SER A 98 22.810 -13.288 5.513 1.00 0.00 H new ATOM 0 HB3 SER A 98 23.926 -14.397 4.741 1.00 0.00 H new ATOM 0 HG SER A 98 24.369 -12.182 4.190 1.00 0.00 H new ATOM 1231 N GLY A 99 19.759 -14.111 4.847 1.00 0.00 N ATOM 1232 CA GLY A 99 18.661 -14.427 5.733 1.00 0.00 C ATOM 1233 C GLY A 99 18.668 -13.573 6.980 1.00 0.00 C ATOM 1234 O GLY A 99 18.149 -13.980 8.007 1.00 0.00 O ATOM 0 H GLY A 99 19.577 -13.338 4.206 1.00 0.00 H new ATOM 0 HA2 GLY A 99 17.718 -14.287 5.204 1.00 0.00 H new ATOM 0 HA3 GLY A 99 18.715 -15.479 6.015 1.00 0.00 H new ATOM 1238 N VAL A 100 19.229 -12.381 6.884 1.00 0.00 N ATOM 1239 CA VAL A 100 19.404 -11.515 8.040 1.00 0.00 C ATOM 1240 C VAL A 100 18.508 -10.280 7.944 1.00 0.00 C ATOM 1241 O VAL A 100 18.543 -9.554 6.949 1.00 0.00 O ATOM 1242 CB VAL A 100 20.885 -11.081 8.169 1.00 0.00 C ATOM 1243 CG1 VAL A 100 21.039 -9.906 9.121 1.00 0.00 C ATOM 1244 CG2 VAL A 100 21.747 -12.250 8.624 1.00 0.00 C ATOM 0 H VAL A 100 19.575 -11.986 6.009 1.00 0.00 H new ATOM 0 HA VAL A 100 19.118 -12.080 8.927 1.00 0.00 H new ATOM 0 HB VAL A 100 21.223 -10.759 7.184 1.00 0.00 H new ATOM 0 HG11 VAL A 100 22.091 -9.627 9.188 1.00 0.00 H new ATOM 0 HG12 VAL A 100 20.462 -9.059 8.750 1.00 0.00 H new ATOM 0 HG13 VAL A 100 20.675 -10.188 10.109 1.00 0.00 H new ATOM 0 HG21 VAL A 100 22.784 -11.926 8.709 1.00 0.00 H new ATOM 0 HG22 VAL A 100 21.397 -12.604 9.594 1.00 0.00 H new ATOM 0 HG23 VAL A 100 21.678 -13.058 7.896 1.00 0.00 H new ATOM 1254 N LEU A 101 17.698 -10.067 8.980 1.00 0.00 N ATOM 1255 CA LEU A 101 16.836 -8.888 9.075 1.00 0.00 C ATOM 1256 C LEU A 101 17.664 -7.615 8.903 1.00 0.00 C ATOM 1257 O LEU A 101 18.478 -7.276 9.757 1.00 0.00 O ATOM 1258 CB LEU A 101 16.155 -8.867 10.453 1.00 0.00 C ATOM 1259 CG LEU A 101 14.626 -8.743 10.478 1.00 0.00 C ATOM 1260 CD1 LEU A 101 14.084 -8.207 9.163 1.00 0.00 C ATOM 1261 CD2 LEU A 101 13.994 -10.087 10.815 1.00 0.00 C ATOM 0 H LEU A 101 17.620 -10.703 9.774 1.00 0.00 H new ATOM 0 HA LEU A 101 16.083 -8.933 8.288 1.00 0.00 H new ATOM 0 HB2 LEU A 101 16.428 -9.782 10.979 1.00 0.00 H new ATOM 0 HB3 LEU A 101 16.571 -8.036 11.023 1.00 0.00 H new ATOM 0 HG LEU A 101 14.361 -8.025 11.254 1.00 0.00 H new ATOM 0 HD11 LEU A 101 12.998 -8.134 9.220 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.505 -7.220 8.971 1.00 0.00 H new ATOM 0 HD13 LEU A 101 14.360 -8.883 8.353 1.00 0.00 H new ATOM 0 HD21 LEU A 101 12.909 -9.985 10.830 1.00 0.00 H new ATOM 0 HD22 LEU A 101 14.280 -10.822 10.063 1.00 0.00 H new ATOM 0 HD23 LEU A 101 14.341 -10.417 11.794 1.00 0.00 H new ATOM 1273 N THR A 102 17.466 -6.923 7.799 1.00 0.00 N ATOM 1274 CA THR A 102 18.197 -5.697 7.540 1.00 0.00 C ATOM 1275 C THR A 102 17.313 -4.488 7.806 1.00 0.00 C ATOM 1276 O THR A 102 17.804 -3.398 8.102 1.00 0.00 O ATOM 1277 CB THR A 102 18.705 -5.652 6.091 1.00 0.00 C ATOM 1278 OG1 THR A 102 18.060 -6.672 5.316 1.00 0.00 O ATOM 1279 CG2 THR A 102 20.212 -5.852 6.038 1.00 0.00 C ATOM 0 H THR A 102 16.806 -7.187 7.067 1.00 0.00 H new ATOM 0 HA THR A 102 19.055 -5.673 8.211 1.00 0.00 H new ATOM 0 HB THR A 102 18.469 -4.672 5.677 1.00 0.00 H new ATOM 0 HG1 THR A 102 18.387 -6.637 4.393 1.00 0.00 H new ATOM 0 HG21 THR A 102 20.548 -5.816 5.002 1.00 0.00 H new ATOM 0 HG22 THR A 102 20.704 -5.063 6.606 1.00 0.00 H new ATOM 0 HG23 THR A 102 20.466 -6.821 6.468 1.00 0.00 H new ATOM 1287 N ASN A 103 16.004 -4.693 7.709 1.00 0.00 N ATOM 1288 CA ASN A 103 15.042 -3.623 7.936 1.00 0.00 C ATOM 1289 C ASN A 103 13.693 -4.185 8.357 1.00 0.00 C ATOM 1290 O ASN A 103 13.183 -5.122 7.743 1.00 0.00 O ATOM 1291 CB ASN A 103 14.865 -2.784 6.665 1.00 0.00 C ATOM 1292 CG ASN A 103 13.753 -1.756 6.790 1.00 0.00 C ATOM 1293 OD1 ASN A 103 13.796 -0.881 7.652 1.00 0.00 O ATOM 1294 ND2 ASN A 103 12.750 -1.855 5.931 1.00 0.00 N ATOM 0 H ASN A 103 15.585 -5.593 7.474 1.00 0.00 H new ATOM 0 HA ASN A 103 15.429 -2.993 8.737 1.00 0.00 H new ATOM 0 HB2 ASN A 103 15.801 -2.274 6.438 1.00 0.00 H new ATOM 0 HB3 ASN A 103 14.650 -3.445 5.825 1.00 0.00 H new ATOM 0 HD21 ASN A 103 11.977 -1.191 5.971 1.00 0.00 H new ATOM 0 HD22 ASN A 103 12.750 -2.596 5.230 1.00 0.00 H new ATOM 1301 N ILE A 104 13.132 -3.634 9.415 1.00 0.00 N ATOM 1302 CA ILE A 104 11.764 -3.940 9.796 1.00 0.00 C ATOM 1303 C ILE A 104 10.871 -2.756 9.452 1.00 0.00 C ATOM 1304 O ILE A 104 11.261 -1.602 9.634 1.00 0.00 O ATOM 1305 CB ILE A 104 11.631 -4.259 11.302 1.00 0.00 C ATOM 1306 CG1 ILE A 104 12.097 -5.689 11.588 1.00 0.00 C ATOM 1307 CG2 ILE A 104 10.185 -4.067 11.752 1.00 0.00 C ATOM 1308 CD1 ILE A 104 13.326 -5.759 12.469 1.00 0.00 C ATOM 0 H ILE A 104 13.603 -2.970 10.029 1.00 0.00 H new ATOM 0 HA ILE A 104 11.458 -4.828 9.243 1.00 0.00 H new ATOM 0 HB ILE A 104 12.265 -3.573 11.864 1.00 0.00 H new ATOM 0 HG12 ILE A 104 11.286 -6.238 12.066 1.00 0.00 H new ATOM 0 HG13 ILE A 104 12.308 -6.190 10.643 1.00 0.00 H new ATOM 0 HG21 ILE A 104 10.101 -4.294 12.815 1.00 0.00 H new ATOM 0 HG22 ILE A 104 9.884 -3.034 11.577 1.00 0.00 H new ATOM 0 HG23 ILE A 104 9.536 -4.735 11.186 1.00 0.00 H new ATOM 0 HD11 ILE A 104 13.599 -6.802 12.630 1.00 0.00 H new ATOM 0 HD12 ILE A 104 14.152 -5.238 11.984 1.00 0.00 H new ATOM 0 HD13 ILE A 104 13.113 -5.288 13.428 1.00 0.00 H new ATOM 1320 N ASP A 105 9.685 -3.042 8.958 1.00 0.00 N ATOM 1321 CA ASP A 105 8.759 -2.002 8.566 1.00 0.00 C ATOM 1322 C ASP A 105 7.491 -2.038 9.396 1.00 0.00 C ATOM 1323 O ASP A 105 6.686 -2.967 9.285 1.00 0.00 O ATOM 1324 CB ASP A 105 8.411 -2.158 7.098 1.00 0.00 C ATOM 1325 CG ASP A 105 7.778 -0.908 6.525 1.00 0.00 C ATOM 1326 OD1 ASP A 105 6.543 -0.759 6.623 1.00 0.00 O ATOM 1327 OD2 ASP A 105 8.518 -0.062 5.992 1.00 0.00 O ATOM 0 H ASP A 105 9.339 -3.991 8.818 1.00 0.00 H new ATOM 0 HA ASP A 105 9.243 -1.040 8.736 1.00 0.00 H new ATOM 0 HB2 ASP A 105 9.314 -2.397 6.536 1.00 0.00 H new ATOM 0 HB3 ASP A 105 7.728 -2.998 6.976 1.00 0.00 H new ATOM 1332 N ASN A 106 7.331 -1.039 10.246 1.00 0.00 N ATOM 1333 CA ASN A 106 6.092 -0.857 10.977 1.00 0.00 C ATOM 1334 C ASN A 106 5.776 0.622 11.111 1.00 0.00 C ATOM 1335 O ASN A 106 6.369 1.327 11.928 1.00 0.00 O ATOM 1336 CB ASN A 106 6.164 -1.513 12.356 1.00 0.00 C ATOM 1337 CG ASN A 106 4.824 -2.072 12.783 1.00 0.00 C ATOM 1338 OD1 ASN A 106 4.393 -1.891 13.922 1.00 0.00 O ATOM 1339 ND2 ASN A 106 4.150 -2.754 11.868 1.00 0.00 N ATOM 0 H ASN A 106 8.046 -0.340 10.447 1.00 0.00 H new ATOM 0 HA ASN A 106 5.292 -1.341 10.416 1.00 0.00 H new ATOM 0 HB2 ASN A 106 6.903 -2.314 12.339 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.503 -0.781 13.089 1.00 0.00 H new ATOM 0 HD21 ASN A 106 3.239 -3.151 12.097 1.00 0.00 H new ATOM 0 HD22 ASN A 106 4.542 -2.881 10.935 1.00 0.00 H new ATOM 1346 N LYS A 107 4.863 1.092 10.276 1.00 0.00 N ATOM 1347 CA LYS A 107 4.432 2.480 10.305 1.00 0.00 C ATOM 1348 C LYS A 107 2.921 2.551 10.125 1.00 0.00 C ATOM 1349 O LYS A 107 2.354 1.782 9.350 1.00 0.00 O ATOM 1350 CB LYS A 107 5.122 3.305 9.206 1.00 0.00 C ATOM 1351 CG LYS A 107 6.193 2.551 8.431 1.00 0.00 C ATOM 1352 CD LYS A 107 7.580 3.088 8.738 1.00 0.00 C ATOM 1353 CE LYS A 107 8.638 2.004 8.611 1.00 0.00 C ATOM 1354 NZ LYS A 107 9.341 2.061 7.300 1.00 0.00 N ATOM 0 H LYS A 107 4.402 0.526 9.563 1.00 0.00 H new ATOM 0 HA LYS A 107 4.711 2.901 11.271 1.00 0.00 H new ATOM 0 HB2 LYS A 107 4.365 3.659 8.506 1.00 0.00 H new ATOM 0 HB3 LYS A 107 5.573 4.187 9.660 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.148 1.491 8.682 1.00 0.00 H new ATOM 0 HG3 LYS A 107 5.997 2.634 7.362 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.813 3.907 8.057 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.597 3.498 9.748 1.00 0.00 H new ATOM 0 HE2 LYS A 107 9.364 2.110 9.417 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.171 1.026 8.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.309 1.695 7.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 8.828 1.481 6.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 9.378 3.046 6.969 1.00 0.00 H new ATOM 1368 N PRO A 108 2.246 3.455 10.851 1.00 0.00 N ATOM 1369 CA PRO A 108 0.801 3.647 10.722 1.00 0.00 C ATOM 1370 C PRO A 108 0.396 3.965 9.281 1.00 0.00 C ATOM 1371 O PRO A 108 1.009 4.811 8.624 1.00 0.00 O ATOM 1372 CB PRO A 108 0.497 4.836 11.645 1.00 0.00 C ATOM 1373 CG PRO A 108 1.820 5.456 11.950 1.00 0.00 C ATOM 1374 CD PRO A 108 2.834 4.353 11.851 1.00 0.00 C ATOM 0 HA PRO A 108 0.246 2.747 10.989 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -0.168 5.550 11.158 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -0.001 4.507 12.557 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.046 6.257 11.246 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.822 5.898 12.946 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.808 4.727 11.535 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.980 3.852 12.808 1.00 0.00 H new ATOM 1382 N ALA A 109 -0.642 3.286 8.804 1.00 0.00 N ATOM 1383 CA ALA A 109 -1.089 3.409 7.417 1.00 0.00 C ATOM 1384 C ALA A 109 -1.510 4.835 7.073 1.00 0.00 C ATOM 1385 O ALA A 109 -1.468 5.243 5.917 1.00 0.00 O ATOM 1386 CB ALA A 109 -2.237 2.454 7.152 1.00 0.00 C ATOM 0 H ALA A 109 -1.196 2.637 9.363 1.00 0.00 H new ATOM 0 HA ALA A 109 -0.243 3.152 6.779 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -2.562 2.554 6.116 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -1.908 1.431 7.332 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.068 2.690 7.817 1.00 0.00 H new ATOM 1392 N LEU A 110 -1.906 5.592 8.085 1.00 0.00 N ATOM 1393 CA LEU A 110 -2.368 6.958 7.880 1.00 0.00 C ATOM 1394 C LEU A 110 -1.194 7.936 7.826 1.00 0.00 C ATOM 1395 O LEU A 110 -1.382 9.150 7.863 1.00 0.00 O ATOM 1396 CB LEU A 110 -3.343 7.359 8.995 1.00 0.00 C ATOM 1397 CG LEU A 110 -4.748 7.783 8.537 1.00 0.00 C ATOM 1398 CD1 LEU A 110 -4.951 9.270 8.766 1.00 0.00 C ATOM 1399 CD2 LEU A 110 -4.983 7.430 7.072 1.00 0.00 C ATOM 0 H LEU A 110 -1.917 5.284 9.057 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.886 7.000 6.922 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.444 6.519 9.682 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -2.902 8.181 9.559 1.00 0.00 H new ATOM 0 HG LEU A 110 -5.477 7.233 9.133 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.950 9.556 8.437 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.841 9.493 9.827 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.208 9.830 8.198 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -5.985 7.743 6.779 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.247 7.942 6.452 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.885 6.353 6.937 1.00 0.00 H new