USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=22 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 72:sc= 0.249 USER MOD Set 1.2: A 103 ASN : amide:sc= 0 X(o=0.25,f=0.03) USER MOD Set 2.1: A 80 GLN : amide:sc= 1.71 K(o=2.8,f=-9.3!) USER MOD Set 2.2: A 88 GLN : amide:sc= -0.0934 K(o=2.8,f=-8.4!) USER MOD Set 2.3: A 89 GLN : amide:sc= 1.2 K(o=2.8,f=-7.5!) USER MOD Set 3.1: A 61 THR OG1 : rot -64:sc= 0.711 USER MOD Set 3.2: A 75 TYR OH : rot 30:sc= 0.325 USER MOD Set 4.1: A 51 THR OG1 : rot 180:sc= 0.189 USER MOD Set 4.2: A 54 GLN : amide:sc= -0.295 X(o=-0.11,f=0.04) USER MOD Set 5.1: A 52 GLN : amide:sc= 0.256 K(o=0.4,f=-0.49) USER MOD Set 5.2: A 71 ASN : amide:sc= 0.149 K(o=0.4,f=-2.1!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 150:sc= 0.968 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.166 USER MOD Single : A 41 ASN : amide:sc= -0.141 K(o=-0.14,f=-0.93) USER MOD Single : A 44 SER OG : rot 78:sc= 1.03 USER MOD Single : A 45 LYS NZ :NH3+ 163:sc= 0.781 (180deg=-0.423!) USER MOD Single : A 50 MET CE :methyl 145:sc= -1.09 (180deg=-4.61!) USER MOD Single : A 53 GLN : amide:sc= -0.433 K(o=-0.43,f=-9.9!) 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= 0.0794 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.093 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0.1) USER MOD Single : A 83 HIS : no HE2:sc= 1.01 K(o=1,f=-5.9!) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.929 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=-0.00243 X(o=-0.0024,f=-0.19) USER MOD Single : A 97 SER OG : rot 180:sc= 0.102 USER MOD Single : A 98 SER OG : rot 180:sc= 0.146 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0417 USER MOD Single : A 106 ASN :FLIP amide:sc= -0.229 F(o=-1.8!,f=-0.23) USER MOD Single : A 107 LYS NZ :NH3+ 145:sc= 0.773 (180deg=-1.39) USER MOD ----------------------------------------------------------------- ATOM 257 N ASN A 36 -7.314 -14.256 14.693 1.00 0.00 N ATOM 258 CA ASN A 36 -7.602 -13.983 13.290 1.00 0.00 C ATOM 259 C ASN A 36 -6.417 -13.277 12.655 1.00 0.00 C ATOM 260 O ASN A 36 -6.266 -13.245 11.434 1.00 0.00 O ATOM 261 CB ASN A 36 -8.858 -13.119 13.152 1.00 0.00 C ATOM 262 CG ASN A 36 -10.051 -13.903 12.646 1.00 0.00 C ATOM 263 OD1 ASN A 36 -10.814 -14.469 13.432 1.00 0.00 O ATOM 264 ND2 ASN A 36 -10.224 -13.944 11.335 1.00 0.00 N ATOM 0 HA ASN A 36 -7.779 -14.930 12.780 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -9.100 -12.680 14.120 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -8.654 -12.294 12.469 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -11.012 -14.458 10.940 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -9.570 -13.462 10.719 1.00 0.00 H new ATOM 271 N TYR A 37 -5.583 -12.707 13.503 1.00 0.00 N ATOM 272 CA TYR A 37 -4.380 -12.023 13.071 1.00 0.00 C ATOM 273 C TYR A 37 -3.214 -12.501 13.910 1.00 0.00 C ATOM 274 O TYR A 37 -3.339 -13.478 14.652 1.00 0.00 O ATOM 275 CB TYR A 37 -4.546 -10.506 13.206 1.00 0.00 C ATOM 276 CG TYR A 37 -5.620 -9.938 12.310 1.00 0.00 C ATOM 277 CD1 TYR A 37 -5.425 -9.832 10.940 1.00 0.00 C ATOM 278 CD2 TYR A 37 -6.834 -9.516 12.838 1.00 0.00 C ATOM 279 CE1 TYR A 37 -6.409 -9.320 10.119 1.00 0.00 C ATOM 280 CE2 TYR A 37 -7.824 -9.001 12.023 1.00 0.00 C ATOM 281 CZ TYR A 37 -7.606 -8.906 10.665 1.00 0.00 C ATOM 282 OH TYR A 37 -8.589 -8.395 9.846 1.00 0.00 O ATOM 0 H TYR A 37 -5.721 -12.705 14.514 1.00 0.00 H new ATOM 0 HA TYR A 37 -4.192 -12.249 12.021 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -4.783 -10.265 14.242 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.597 -10.022 12.975 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.489 -10.155 10.510 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -7.006 -9.592 13.901 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -6.243 -9.244 9.055 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -8.762 -8.675 12.447 1.00 0.00 H new ATOM 0 HH TYR A 37 -9.469 -8.592 10.229 1.00 0.00 H new ATOM 292 N LEU A 38 -2.089 -11.829 13.795 1.00 0.00 N ATOM 293 CA LEU A 38 -0.941 -12.151 14.615 1.00 0.00 C ATOM 294 C LEU A 38 -0.676 -11.013 15.589 1.00 0.00 C ATOM 295 O LEU A 38 -1.070 -9.872 15.339 1.00 0.00 O ATOM 296 CB LEU A 38 0.286 -12.426 13.743 1.00 0.00 C ATOM 297 CG LEU A 38 1.235 -13.489 14.303 1.00 0.00 C ATOM 298 CD1 LEU A 38 1.539 -14.549 13.255 1.00 0.00 C ATOM 299 CD2 LEU A 38 2.516 -12.851 14.810 1.00 0.00 C ATOM 0 H LEU A 38 -1.945 -11.058 13.143 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.150 -13.057 15.184 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.049 -12.740 12.754 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.839 -11.496 13.612 1.00 0.00 H new ATOM 0 HG LEU A 38 0.741 -13.976 15.144 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.215 -15.293 13.676 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.612 -15.033 12.948 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.008 -14.081 12.390 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.176 -13.624 15.204 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.013 -12.332 13.990 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.280 -12.139 15.600 1.00 0.00 H new ATOM 311 N THR A 39 -0.031 -11.322 16.701 1.00 0.00 N ATOM 312 CA THR A 39 0.200 -10.340 17.744 1.00 0.00 C ATOM 313 C THR A 39 1.246 -9.307 17.322 1.00 0.00 C ATOM 314 O THR A 39 2.235 -9.639 16.666 1.00 0.00 O ATOM 315 CB THR A 39 0.663 -11.046 19.029 1.00 0.00 C ATOM 316 OG1 THR A 39 0.758 -12.460 18.792 1.00 0.00 O ATOM 317 CG2 THR A 39 -0.301 -10.782 20.176 1.00 0.00 C ATOM 0 H THR A 39 0.343 -12.249 16.904 1.00 0.00 H new ATOM 0 HA THR A 39 -0.739 -9.816 17.925 1.00 0.00 H new ATOM 0 HB THR A 39 1.640 -10.651 19.307 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.055 -12.910 19.611 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.051 -11.293 21.072 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.354 -9.710 20.367 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.291 -11.153 19.912 1.00 0.00 H new ATOM 325 N ALA A 40 1.027 -8.060 17.719 1.00 0.00 N ATOM 326 CA ALA A 40 1.960 -6.981 17.423 1.00 0.00 C ATOM 327 C ALA A 40 3.092 -6.974 18.436 1.00 0.00 C ATOM 328 O ALA A 40 4.249 -6.735 18.101 1.00 0.00 O ATOM 329 CB ALA A 40 1.240 -5.639 17.418 1.00 0.00 C ATOM 0 H ALA A 40 0.206 -7.770 18.250 1.00 0.00 H new ATOM 0 HA ALA A 40 2.381 -7.147 16.431 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.952 -4.845 17.195 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.458 -5.649 16.659 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.794 -5.462 18.397 1.00 0.00 H new ATOM 335 N ASN A 41 2.735 -7.252 19.684 1.00 0.00 N ATOM 336 CA ASN A 41 3.699 -7.313 20.776 1.00 0.00 C ATOM 337 C ASN A 41 4.659 -8.481 20.585 1.00 0.00 C ATOM 338 O ASN A 41 5.725 -8.533 21.195 1.00 0.00 O ATOM 339 CB ASN A 41 2.973 -7.453 22.116 1.00 0.00 C ATOM 340 CG ASN A 41 3.632 -6.644 23.217 1.00 0.00 C ATOM 341 OD1 ASN A 41 4.111 -5.533 22.986 1.00 0.00 O ATOM 342 ND2 ASN A 41 3.663 -7.194 24.418 1.00 0.00 N ATOM 0 H ASN A 41 1.773 -7.441 19.967 1.00 0.00 H new ATOM 0 HA ASN A 41 4.273 -6.386 20.775 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.938 -7.130 22.001 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.949 -8.504 22.405 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.095 -6.696 25.196 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.255 -8.117 24.567 1.00 0.00 H new ATOM 349 N ASP A 42 4.268 -9.420 19.737 1.00 0.00 N ATOM 350 CA ASP A 42 5.065 -10.610 19.484 1.00 0.00 C ATOM 351 C ASP A 42 6.234 -10.307 18.553 1.00 0.00 C ATOM 352 O ASP A 42 7.218 -11.046 18.516 1.00 0.00 O ATOM 353 CB ASP A 42 4.196 -11.708 18.880 1.00 0.00 C ATOM 354 CG ASP A 42 4.517 -13.066 19.463 1.00 0.00 C ATOM 355 OD1 ASP A 42 4.812 -13.140 20.674 1.00 0.00 O ATOM 356 OD2 ASP A 42 4.489 -14.062 18.717 1.00 0.00 O ATOM 0 H ASP A 42 3.396 -9.380 19.209 1.00 0.00 H new ATOM 0 HA ASP A 42 5.467 -10.950 20.438 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.145 -11.477 19.055 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.341 -11.733 17.800 1.00 0.00 H new ATOM 361 N VAL A 43 6.127 -9.214 17.808 1.00 0.00 N ATOM 362 CA VAL A 43 7.156 -8.842 16.841 1.00 0.00 C ATOM 363 C VAL A 43 8.425 -8.360 17.544 1.00 0.00 C ATOM 364 O VAL A 43 9.530 -8.511 17.027 1.00 0.00 O ATOM 365 CB VAL A 43 6.659 -7.745 15.873 1.00 0.00 C ATOM 366 CG1 VAL A 43 7.636 -7.559 14.720 1.00 0.00 C ATOM 367 CG2 VAL A 43 5.273 -8.078 15.346 1.00 0.00 C ATOM 0 H VAL A 43 5.339 -8.569 17.854 1.00 0.00 H new ATOM 0 HA VAL A 43 7.384 -9.738 16.264 1.00 0.00 H new ATOM 0 HB VAL A 43 6.599 -6.808 16.427 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.266 -6.782 14.051 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.610 -7.267 15.112 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.732 -8.495 14.170 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.944 -7.292 14.667 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.305 -9.028 14.813 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.575 -8.153 16.180 1.00 0.00 H new ATOM 377 N SER A 44 8.262 -7.808 18.740 1.00 0.00 N ATOM 378 CA SER A 44 9.388 -7.290 19.511 1.00 0.00 C ATOM 379 C SER A 44 10.323 -8.412 19.971 1.00 0.00 C ATOM 380 O SER A 44 11.394 -8.156 20.522 1.00 0.00 O ATOM 381 CB SER A 44 8.868 -6.507 20.714 1.00 0.00 C ATOM 382 OG SER A 44 7.456 -6.381 20.661 1.00 0.00 O ATOM 0 H SER A 44 7.357 -7.707 19.200 1.00 0.00 H new ATOM 0 HA SER A 44 9.966 -6.628 18.866 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.158 -7.012 21.635 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.325 -5.518 20.735 1.00 0.00 H new ATOM 0 HG SER A 44 7.042 -7.219 20.954 1.00 0.00 H new ATOM 388 N LYS A 45 9.915 -9.657 19.746 1.00 0.00 N ATOM 389 CA LYS A 45 10.732 -10.805 20.117 1.00 0.00 C ATOM 390 C LYS A 45 11.858 -11.027 19.109 1.00 0.00 C ATOM 391 O LYS A 45 12.811 -11.758 19.384 1.00 0.00 O ATOM 392 CB LYS A 45 9.873 -12.066 20.214 1.00 0.00 C ATOM 393 CG LYS A 45 8.774 -11.984 21.263 1.00 0.00 C ATOM 394 CD LYS A 45 8.192 -13.357 21.579 1.00 0.00 C ATOM 395 CE LYS A 45 7.924 -14.161 20.316 1.00 0.00 C ATOM 396 NZ LYS A 45 6.687 -14.979 20.422 1.00 0.00 N ATOM 0 H LYS A 45 9.025 -9.896 19.309 1.00 0.00 H new ATOM 0 HA LYS A 45 11.173 -10.596 21.092 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.420 -12.261 19.242 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.517 -12.916 20.442 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.174 -11.540 22.175 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.981 -11.326 20.908 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.882 -13.906 22.220 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.264 -13.238 22.138 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.837 -13.483 19.467 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.773 -14.814 20.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.385 -15.277 19.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.875 -15.819 21.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.934 -14.414 20.863 1.00 0.00 H new ATOM 410 N ILE A 46 11.742 -10.396 17.946 1.00 0.00 N ATOM 411 CA ILE A 46 12.745 -10.545 16.895 1.00 0.00 C ATOM 412 C ILE A 46 13.691 -9.345 16.861 1.00 0.00 C ATOM 413 O ILE A 46 13.478 -8.353 17.561 1.00 0.00 O ATOM 414 CB ILE A 46 12.098 -10.740 15.502 1.00 0.00 C ATOM 415 CG1 ILE A 46 11.611 -9.406 14.927 1.00 0.00 C ATOM 416 CG2 ILE A 46 10.951 -11.738 15.585 1.00 0.00 C ATOM 417 CD1 ILE A 46 12.038 -9.178 13.492 1.00 0.00 C ATOM 0 H ILE A 46 10.967 -9.778 17.706 1.00 0.00 H new ATOM 0 HA ILE A 46 13.317 -11.442 17.133 1.00 0.00 H new ATOM 0 HB ILE A 46 12.858 -11.137 14.829 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.523 -9.369 14.985 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.991 -8.592 15.545 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.506 -11.864 14.598 1.00 0.00 H new ATOM 0 HG22 ILE A 46 11.328 -12.698 15.938 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.196 -11.368 16.278 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.659 -8.215 13.148 1.00 0.00 H new ATOM 0 HD12 ILE A 46 13.126 -9.183 13.431 1.00 0.00 H new ATOM 0 HD13 ILE A 46 11.636 -9.972 12.862 1.00 0.00 H new ATOM 429 N ARG A 47 14.734 -9.447 16.047 1.00 0.00 N ATOM 430 CA ARG A 47 15.730 -8.393 15.930 1.00 0.00 C ATOM 431 C ARG A 47 16.435 -8.494 14.584 1.00 0.00 C ATOM 432 O ARG A 47 16.403 -9.544 13.939 1.00 0.00 O ATOM 433 CB ARG A 47 16.750 -8.483 17.072 1.00 0.00 C ATOM 434 CG ARG A 47 17.529 -9.789 17.114 1.00 0.00 C ATOM 435 CD ARG A 47 17.752 -10.259 18.546 1.00 0.00 C ATOM 436 NE ARG A 47 19.166 -10.514 18.824 1.00 0.00 N ATOM 437 CZ ARG A 47 19.680 -11.722 19.045 1.00 0.00 C ATOM 438 NH1 ARG A 47 18.899 -12.795 19.017 1.00 0.00 N ATOM 439 NH2 ARG A 47 20.974 -11.856 19.296 1.00 0.00 N ATOM 0 H ARG A 47 14.912 -10.257 15.454 1.00 0.00 H new ATOM 0 HA ARG A 47 15.227 -7.429 15.997 1.00 0.00 H new ATOM 0 HB2 ARG A 47 17.454 -7.656 16.980 1.00 0.00 H new ATOM 0 HB3 ARG A 47 16.228 -8.354 18.020 1.00 0.00 H new ATOM 0 HG2 ARG A 47 16.988 -10.555 16.558 1.00 0.00 H new ATOM 0 HG3 ARG A 47 18.491 -9.656 16.619 1.00 0.00 H new ATOM 0 HD2 ARG A 47 17.376 -9.505 19.238 1.00 0.00 H new ATOM 0 HD3 ARG A 47 17.178 -11.168 18.723 1.00 0.00 H new ATOM 0 HE ARG A 47 19.799 -9.714 18.850 1.00 0.00 H new ATOM 0 HH11 ARG A 47 17.902 -12.695 18.826 1.00 0.00 H new ATOM 0 HH12 ARG A 47 19.296 -13.719 19.187 1.00 0.00 H new ATOM 0 HH21 ARG A 47 21.577 -11.033 19.320 1.00 0.00 H new ATOM 0 HH22 ARG A 47 21.367 -12.782 19.465 1.00 0.00 H new ATOM 453 N VAL A 48 17.071 -7.410 14.163 1.00 0.00 N ATOM 454 CA VAL A 48 17.778 -7.396 12.893 1.00 0.00 C ATOM 455 C VAL A 48 19.056 -8.223 12.996 1.00 0.00 C ATOM 456 O VAL A 48 19.621 -8.382 14.085 1.00 0.00 O ATOM 457 CB VAL A 48 18.100 -5.954 12.416 1.00 0.00 C ATOM 458 CG1 VAL A 48 17.046 -4.971 12.908 1.00 0.00 C ATOM 459 CG2 VAL A 48 19.490 -5.511 12.856 1.00 0.00 C ATOM 0 H VAL A 48 17.111 -6.532 14.681 1.00 0.00 H new ATOM 0 HA VAL A 48 17.120 -7.840 12.146 1.00 0.00 H new ATOM 0 HB VAL A 48 18.085 -5.963 11.326 1.00 0.00 H new ATOM 0 HG11 VAL A 48 17.294 -3.968 12.561 1.00 0.00 H new ATOM 0 HG12 VAL A 48 16.070 -5.259 12.518 1.00 0.00 H new ATOM 0 HG13 VAL A 48 17.019 -4.982 13.998 1.00 0.00 H new ATOM 0 HG21 VAL A 48 19.677 -4.497 12.503 1.00 0.00 H new ATOM 0 HG22 VAL A 48 19.552 -5.534 13.944 1.00 0.00 H new ATOM 0 HG23 VAL A 48 20.237 -6.185 12.436 1.00 0.00 H new ATOM 469 N GLY A 49 19.486 -8.774 11.873 1.00 0.00 N ATOM 470 CA GLY A 49 20.665 -9.618 11.860 1.00 0.00 C ATOM 471 C GLY A 49 20.370 -11.022 12.349 1.00 0.00 C ATOM 472 O GLY A 49 21.241 -11.892 12.333 1.00 0.00 O ATOM 0 H GLY A 49 19.038 -8.652 10.965 1.00 0.00 H new ATOM 0 HA2 GLY A 49 21.065 -9.665 10.847 1.00 0.00 H new ATOM 0 HA3 GLY A 49 21.436 -9.171 12.487 1.00 0.00 H new ATOM 476 N MET A 50 19.144 -11.239 12.796 1.00 0.00 N ATOM 477 CA MET A 50 18.705 -12.555 13.197 1.00 0.00 C ATOM 478 C MET A 50 18.221 -13.321 11.975 1.00 0.00 C ATOM 479 O MET A 50 17.608 -12.740 11.074 1.00 0.00 O ATOM 480 CB MET A 50 17.605 -12.433 14.249 1.00 0.00 C ATOM 481 CG MET A 50 17.977 -13.066 15.573 1.00 0.00 C ATOM 482 SD MET A 50 16.587 -13.171 16.722 1.00 0.00 S ATOM 483 CE MET A 50 15.339 -13.927 15.684 1.00 0.00 C ATOM 0 H MET A 50 18.435 -10.512 12.889 1.00 0.00 H new ATOM 0 HA MET A 50 19.535 -13.106 13.640 1.00 0.00 H new ATOM 0 HB2 MET A 50 17.378 -11.379 14.408 1.00 0.00 H new ATOM 0 HB3 MET A 50 16.696 -12.901 13.872 1.00 0.00 H new ATOM 0 HG2 MET A 50 18.369 -14.067 15.393 1.00 0.00 H new ATOM 0 HG3 MET A 50 18.778 -12.488 16.033 1.00 0.00 H new ATOM 0 HE1 MET A 50 14.722 -14.595 16.285 1.00 0.00 H new ATOM 0 HE2 MET A 50 14.712 -13.151 15.245 1.00 0.00 H new ATOM 0 HE3 MET A 50 15.822 -14.496 14.890 1.00 0.00 H new ATOM 493 N THR A 51 18.515 -14.610 11.935 1.00 0.00 N ATOM 494 CA THR A 51 18.200 -15.431 10.784 1.00 0.00 C ATOM 495 C THR A 51 16.694 -15.651 10.671 1.00 0.00 C ATOM 496 O THR A 51 15.990 -15.732 11.686 1.00 0.00 O ATOM 497 CB THR A 51 18.930 -16.781 10.883 1.00 0.00 C ATOM 498 OG1 THR A 51 19.586 -16.878 12.161 1.00 0.00 O ATOM 499 CG2 THR A 51 19.958 -16.922 9.770 1.00 0.00 C ATOM 0 H THR A 51 18.975 -15.111 12.695 1.00 0.00 H new ATOM 0 HA THR A 51 18.537 -14.911 9.887 1.00 0.00 H new ATOM 0 HB THR A 51 18.198 -17.582 10.781 1.00 0.00 H new ATOM 0 HG1 THR A 51 20.050 -17.739 12.226 1.00 0.00 H new ATOM 0 HG21 THR A 51 20.462 -17.884 9.860 1.00 0.00 H new ATOM 0 HG22 THR A 51 19.458 -16.863 8.803 1.00 0.00 H new ATOM 0 HG23 THR A 51 20.692 -16.120 9.848 1.00 0.00 H new ATOM 507 N GLN A 52 16.205 -15.742 9.434 1.00 0.00 N ATOM 508 CA GLN A 52 14.774 -15.867 9.155 1.00 0.00 C ATOM 509 C GLN A 52 14.151 -17.056 9.884 1.00 0.00 C ATOM 510 O GLN A 52 12.990 -17.007 10.283 1.00 0.00 O ATOM 511 CB GLN A 52 14.526 -15.991 7.645 1.00 0.00 C ATOM 512 CG GLN A 52 15.031 -17.289 7.034 1.00 0.00 C ATOM 513 CD GLN A 52 16.035 -17.058 5.924 1.00 0.00 C ATOM 514 OE1 GLN A 52 17.154 -17.555 5.977 1.00 0.00 O ATOM 515 NE2 GLN A 52 15.640 -16.302 4.912 1.00 0.00 N ATOM 0 H GLN A 52 16.789 -15.731 8.598 1.00 0.00 H new ATOM 0 HA GLN A 52 14.295 -14.960 9.525 1.00 0.00 H new ATOM 0 HB2 GLN A 52 13.456 -15.906 7.456 1.00 0.00 H new ATOM 0 HB3 GLN A 52 15.007 -15.154 7.139 1.00 0.00 H new ATOM 0 HG2 GLN A 52 15.490 -17.899 7.813 1.00 0.00 H new ATOM 0 HG3 GLN A 52 14.186 -17.855 6.642 1.00 0.00 H new ATOM 0 HE21 GLN A 52 14.699 -15.907 4.907 1.00 0.00 H new ATOM 0 HE22 GLN A 52 16.276 -16.114 4.137 1.00 0.00 H new ATOM 524 N GLN A 53 14.932 -18.106 10.076 1.00 0.00 N ATOM 525 CA GLN A 53 14.435 -19.318 10.707 1.00 0.00 C ATOM 526 C GLN A 53 14.152 -19.061 12.178 1.00 0.00 C ATOM 527 O GLN A 53 13.153 -19.523 12.720 1.00 0.00 O ATOM 528 CB GLN A 53 15.446 -20.457 10.555 1.00 0.00 C ATOM 529 CG GLN A 53 15.849 -20.725 9.115 1.00 0.00 C ATOM 530 CD GLN A 53 17.097 -19.968 8.707 1.00 0.00 C ATOM 531 OE1 GLN A 53 17.389 -18.895 9.233 1.00 0.00 O ATOM 532 NE2 GLN A 53 17.835 -20.516 7.760 1.00 0.00 N ATOM 0 H GLN A 53 15.914 -18.144 9.804 1.00 0.00 H new ATOM 0 HA GLN A 53 13.508 -19.611 10.214 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.338 -20.220 11.135 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.022 -21.367 10.980 1.00 0.00 H new ATOM 0 HG2 GLN A 53 16.017 -21.794 8.982 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.028 -20.447 8.454 1.00 0.00 H new ATOM 0 HE21 GLN A 53 17.558 -21.408 7.349 1.00 0.00 H new ATOM 0 HE22 GLN A 53 18.682 -20.048 7.439 1.00 0.00 H new ATOM 541 N GLN A 54 15.027 -18.293 12.808 1.00 0.00 N ATOM 542 CA GLN A 54 14.889 -17.969 14.217 1.00 0.00 C ATOM 543 C GLN A 54 13.772 -16.956 14.416 1.00 0.00 C ATOM 544 O GLN A 54 13.057 -16.996 15.417 1.00 0.00 O ATOM 545 CB GLN A 54 16.213 -17.426 14.762 1.00 0.00 C ATOM 546 CG GLN A 54 17.099 -18.495 15.385 1.00 0.00 C ATOM 547 CD GLN A 54 17.017 -19.822 14.654 1.00 0.00 C ATOM 548 OE1 GLN A 54 17.603 -19.992 13.586 1.00 0.00 O ATOM 549 NE2 GLN A 54 16.276 -20.766 15.218 1.00 0.00 N ATOM 0 H GLN A 54 15.846 -17.880 12.361 1.00 0.00 H new ATOM 0 HA GLN A 54 14.633 -18.875 14.766 1.00 0.00 H new ATOM 0 HB2 GLN A 54 16.758 -16.941 13.952 1.00 0.00 H new ATOM 0 HB3 GLN A 54 16.002 -16.660 15.508 1.00 0.00 H new ATOM 0 HG2 GLN A 54 18.133 -18.149 15.387 1.00 0.00 H new ATOM 0 HG3 GLN A 54 16.810 -18.640 16.426 1.00 0.00 H new ATOM 0 HE21 GLN A 54 15.806 -20.584 16.105 1.00 0.00 H new ATOM 0 HE22 GLN A 54 16.176 -21.674 14.765 1.00 0.00 H new ATOM 558 N VAL A 55 13.624 -16.052 13.453 1.00 0.00 N ATOM 559 CA VAL A 55 12.518 -15.103 13.465 1.00 0.00 C ATOM 560 C VAL A 55 11.192 -15.855 13.393 1.00 0.00 C ATOM 561 O VAL A 55 10.280 -15.614 14.191 1.00 0.00 O ATOM 562 CB VAL A 55 12.620 -14.105 12.287 1.00 0.00 C ATOM 563 CG1 VAL A 55 11.372 -13.242 12.190 1.00 0.00 C ATOM 564 CG2 VAL A 55 13.856 -13.235 12.435 1.00 0.00 C ATOM 0 H VAL A 55 14.254 -15.957 12.657 1.00 0.00 H new ATOM 0 HA VAL A 55 12.568 -14.535 14.394 1.00 0.00 H new ATOM 0 HB VAL A 55 12.705 -14.680 11.365 1.00 0.00 H new ATOM 0 HG11 VAL A 55 11.472 -12.550 11.353 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.501 -13.878 12.033 1.00 0.00 H new ATOM 0 HG13 VAL A 55 11.247 -12.678 13.114 1.00 0.00 H new ATOM 0 HG21 VAL A 55 13.913 -12.539 11.598 1.00 0.00 H new ATOM 0 HG22 VAL A 55 13.798 -12.676 13.369 1.00 0.00 H new ATOM 0 HG23 VAL A 55 14.745 -13.865 12.444 1.00 0.00 H new ATOM 574 N ALA A 56 11.113 -16.793 12.457 1.00 0.00 N ATOM 575 CA ALA A 56 9.916 -17.600 12.268 1.00 0.00 C ATOM 576 C ALA A 56 9.690 -18.534 13.451 1.00 0.00 C ATOM 577 O ALA A 56 8.555 -18.885 13.767 1.00 0.00 O ATOM 578 CB ALA A 56 10.022 -18.395 10.981 1.00 0.00 C ATOM 0 H ALA A 56 11.872 -17.014 11.812 1.00 0.00 H new ATOM 0 HA ALA A 56 9.060 -16.929 12.202 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.122 -18.995 10.849 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.129 -17.711 10.139 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.891 -19.051 11.029 1.00 0.00 H new ATOM 584 N TYR A 57 10.777 -18.938 14.093 1.00 0.00 N ATOM 585 CA TYR A 57 10.700 -19.811 15.255 1.00 0.00 C ATOM 586 C TYR A 57 10.125 -19.074 16.457 1.00 0.00 C ATOM 587 O TYR A 57 9.304 -19.616 17.195 1.00 0.00 O ATOM 588 CB TYR A 57 12.083 -20.358 15.604 1.00 0.00 C ATOM 589 CG TYR A 57 12.214 -21.845 15.368 1.00 0.00 C ATOM 590 CD1 TYR A 57 12.175 -22.365 14.081 1.00 0.00 C ATOM 591 CD2 TYR A 57 12.367 -22.728 16.430 1.00 0.00 C ATOM 592 CE1 TYR A 57 12.285 -23.722 13.859 1.00 0.00 C ATOM 593 CE2 TYR A 57 12.481 -24.087 16.214 1.00 0.00 C ATOM 594 CZ TYR A 57 12.438 -24.579 14.926 1.00 0.00 C ATOM 595 OH TYR A 57 12.549 -25.936 14.703 1.00 0.00 O ATOM 0 H TYR A 57 11.726 -18.674 13.827 1.00 0.00 H new ATOM 0 HA TYR A 57 10.037 -20.639 15.005 1.00 0.00 H new ATOM 0 HB2 TYR A 57 12.833 -19.835 15.011 1.00 0.00 H new ATOM 0 HB3 TYR A 57 12.298 -20.143 16.651 1.00 0.00 H new ATOM 0 HD1 TYR A 57 12.057 -21.697 13.241 1.00 0.00 H new ATOM 0 HD2 TYR A 57 12.397 -22.346 17.440 1.00 0.00 H new ATOM 0 HE1 TYR A 57 12.251 -24.111 12.852 1.00 0.00 H new ATOM 0 HE2 TYR A 57 12.603 -24.761 17.049 1.00 0.00 H new ATOM 0 HH TYR A 57 12.652 -26.401 15.560 1.00 0.00 H new ATOM 605 N ALA A 58 10.556 -17.835 16.644 1.00 0.00 N ATOM 606 CA ALA A 58 10.148 -17.048 17.798 1.00 0.00 C ATOM 607 C ALA A 58 8.752 -16.454 17.632 1.00 0.00 C ATOM 608 O ALA A 58 7.851 -16.738 18.424 1.00 0.00 O ATOM 609 CB ALA A 58 11.159 -15.943 18.062 1.00 0.00 C ATOM 0 H ALA A 58 11.191 -17.352 16.008 1.00 0.00 H new ATOM 0 HA ALA A 58 10.112 -17.723 18.653 1.00 0.00 H new ATOM 0 HB1 ALA A 58 10.844 -15.360 18.928 1.00 0.00 H new ATOM 0 HB2 ALA A 58 12.137 -16.383 18.258 1.00 0.00 H new ATOM 0 HB3 ALA A 58 11.222 -15.292 17.190 1.00 0.00 H new ATOM 615 N LEU A 59 8.568 -15.641 16.600 1.00 0.00 N ATOM 616 CA LEU A 59 7.337 -14.873 16.450 1.00 0.00 C ATOM 617 C LEU A 59 6.296 -15.639 15.616 1.00 0.00 C ATOM 618 O LEU A 59 5.168 -15.183 15.426 1.00 0.00 O ATOM 619 CB LEU A 59 7.676 -13.486 15.876 1.00 0.00 C ATOM 620 CG LEU A 59 6.918 -13.033 14.634 1.00 0.00 C ATOM 621 CD1 LEU A 59 5.910 -11.954 14.998 1.00 0.00 C ATOM 622 CD2 LEU A 59 7.894 -12.516 13.589 1.00 0.00 C ATOM 0 H LEU A 59 9.252 -15.496 15.857 1.00 0.00 H new ATOM 0 HA LEU A 59 6.872 -14.725 17.425 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.508 -12.748 16.660 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.741 -13.469 15.645 1.00 0.00 H new ATOM 0 HG LEU A 59 6.379 -13.884 14.219 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.375 -11.639 14.102 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.200 -12.349 15.724 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.432 -11.099 15.429 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.344 -12.194 12.705 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.451 -11.672 13.997 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.588 -13.310 13.315 1.00 0.00 H new ATOM 634 N GLY A 60 6.681 -16.819 15.139 1.00 0.00 N ATOM 635 CA GLY A 60 5.723 -17.719 14.513 1.00 0.00 C ATOM 636 C GLY A 60 5.358 -17.331 13.093 1.00 0.00 C ATOM 637 O GLY A 60 4.183 -17.329 12.728 1.00 0.00 O ATOM 0 H GLY A 60 7.638 -17.170 15.174 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.135 -18.728 14.510 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.816 -17.747 15.117 1.00 0.00 H new ATOM 641 N THR A 61 6.355 -17.015 12.292 1.00 0.00 N ATOM 642 CA THR A 61 6.135 -16.678 10.896 1.00 0.00 C ATOM 643 C THR A 61 6.199 -17.922 10.013 1.00 0.00 C ATOM 644 O THR A 61 7.060 -18.780 10.208 1.00 0.00 O ATOM 645 CB THR A 61 7.186 -15.667 10.421 1.00 0.00 C ATOM 646 OG1 THR A 61 7.676 -14.925 11.543 1.00 0.00 O ATOM 647 CG2 THR A 61 6.602 -14.720 9.392 1.00 0.00 C ATOM 0 H THR A 61 7.332 -16.984 12.584 1.00 0.00 H new ATOM 0 HA THR A 61 5.141 -16.239 10.814 1.00 0.00 H new ATOM 0 HB THR A 61 8.006 -16.212 9.954 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.945 -14.402 11.933 1.00 0.00 H new ATOM 0 HG21 THR A 61 7.368 -14.013 9.072 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.251 -15.289 8.531 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.767 -14.175 9.832 1.00 0.00 H new ATOM 655 N PRO A 62 5.267 -18.060 9.057 1.00 0.00 N ATOM 656 CA PRO A 62 5.298 -19.155 8.083 1.00 0.00 C ATOM 657 C PRO A 62 6.469 -19.005 7.119 1.00 0.00 C ATOM 658 O PRO A 62 6.694 -17.924 6.567 1.00 0.00 O ATOM 659 CB PRO A 62 3.963 -19.025 7.331 1.00 0.00 C ATOM 660 CG PRO A 62 3.137 -18.086 8.144 1.00 0.00 C ATOM 661 CD PRO A 62 4.107 -17.185 8.852 1.00 0.00 C ATOM 0 HA PRO A 62 5.424 -20.127 8.561 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.116 -18.640 6.323 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.473 -19.993 7.232 1.00 0.00 H new ATOM 0 HG2 PRO A 62 2.463 -17.511 7.510 1.00 0.00 H new ATOM 0 HG3 PRO A 62 2.518 -18.629 8.858 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.360 -16.311 8.252 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.704 -16.818 9.796 1.00 0.00 H new ATOM 669 N LEU A 63 7.211 -20.083 6.920 1.00 0.00 N ATOM 670 CA LEU A 63 8.393 -20.049 6.074 1.00 0.00 C ATOM 671 C LEU A 63 8.011 -20.054 4.598 1.00 0.00 C ATOM 672 O LEU A 63 7.388 -20.997 4.104 1.00 0.00 O ATOM 673 CB LEU A 63 9.311 -21.233 6.390 1.00 0.00 C ATOM 674 CG LEU A 63 10.585 -20.870 7.155 1.00 0.00 C ATOM 675 CD1 LEU A 63 10.550 -21.443 8.562 1.00 0.00 C ATOM 676 CD2 LEU A 63 11.813 -21.370 6.412 1.00 0.00 C ATOM 0 H LEU A 63 7.015 -20.994 7.334 1.00 0.00 H new ATOM 0 HA LEU A 63 8.930 -19.123 6.282 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.750 -21.964 6.972 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.591 -21.717 5.455 1.00 0.00 H new ATOM 0 HG LEU A 63 10.640 -19.784 7.228 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.466 -21.173 9.088 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.691 -21.039 9.098 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.468 -22.529 8.511 1.00 0.00 H new ATOM 0 HD21 LEU A 63 12.710 -21.103 6.971 1.00 0.00 H new ATOM 0 HD22 LEU A 63 11.759 -22.454 6.308 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.852 -20.912 5.423 1.00 0.00 H new ATOM 688 N MET A 64 8.382 -18.992 3.900 1.00 0.00 N ATOM 689 CA MET A 64 8.093 -18.872 2.480 1.00 0.00 C ATOM 690 C MET A 64 9.252 -19.415 1.655 1.00 0.00 C ATOM 691 O MET A 64 10.379 -18.938 1.767 1.00 0.00 O ATOM 692 CB MET A 64 7.816 -17.410 2.109 1.00 0.00 C ATOM 693 CG MET A 64 7.597 -17.196 0.619 1.00 0.00 C ATOM 694 SD MET A 64 6.683 -15.681 0.259 1.00 0.00 S ATOM 695 CE MET A 64 8.034 -14.560 -0.095 1.00 0.00 C ATOM 0 H MET A 64 8.886 -18.198 4.296 1.00 0.00 H new ATOM 0 HA MET A 64 7.202 -19.460 2.259 1.00 0.00 H new ATOM 0 HB2 MET A 64 6.935 -17.066 2.651 1.00 0.00 H new ATOM 0 HB3 MET A 64 8.653 -16.795 2.438 1.00 0.00 H new ATOM 0 HG2 MET A 64 8.563 -17.161 0.115 1.00 0.00 H new ATOM 0 HG3 MET A 64 7.055 -18.048 0.210 1.00 0.00 H new ATOM 0 HE1 MET A 64 7.635 -13.575 -0.338 1.00 0.00 H new ATOM 0 HE2 MET A 64 8.682 -14.484 0.778 1.00 0.00 H new ATOM 0 HE3 MET A 64 8.608 -14.938 -0.941 1.00 0.00 H new ATOM 705 N SER A 65 8.971 -20.425 0.850 1.00 0.00 N ATOM 706 CA SER A 65 9.976 -21.012 -0.020 1.00 0.00 C ATOM 707 C SER A 65 10.172 -20.141 -1.257 1.00 0.00 C ATOM 708 O SER A 65 9.295 -20.063 -2.118 1.00 0.00 O ATOM 709 CB SER A 65 9.546 -22.422 -0.417 1.00 0.00 C ATOM 710 OG SER A 65 8.364 -22.797 0.277 1.00 0.00 O ATOM 0 H SER A 65 8.050 -20.858 0.781 1.00 0.00 H new ATOM 0 HA SER A 65 10.926 -21.070 0.511 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.373 -22.466 -1.492 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.345 -23.129 -0.194 1.00 0.00 H new ATOM 0 HG SER A 65 8.101 -23.702 0.010 1.00 0.00 H new ATOM 716 N ASP A 66 11.317 -19.482 -1.331 1.00 0.00 N ATOM 717 CA ASP A 66 11.605 -18.571 -2.419 1.00 0.00 C ATOM 718 C ASP A 66 12.760 -19.086 -3.275 1.00 0.00 C ATOM 719 O ASP A 66 13.931 -18.838 -2.994 1.00 0.00 O ATOM 720 CB ASP A 66 11.922 -17.169 -1.870 1.00 0.00 C ATOM 721 CG ASP A 66 13.159 -17.128 -0.981 1.00 0.00 C ATOM 722 OD1 ASP A 66 13.297 -17.993 -0.092 1.00 0.00 O ATOM 723 OD2 ASP A 66 14.011 -16.240 -1.189 1.00 0.00 O ATOM 0 H ASP A 66 12.065 -19.564 -0.643 1.00 0.00 H new ATOM 0 HA ASP A 66 10.721 -18.507 -3.053 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.063 -16.484 -2.706 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.065 -16.808 -1.302 1.00 0.00 H new ATOM 728 N PRO A 67 12.448 -19.821 -4.349 1.00 0.00 N ATOM 729 CA PRO A 67 13.464 -20.287 -5.292 1.00 0.00 C ATOM 730 C PRO A 67 14.003 -19.138 -6.134 1.00 0.00 C ATOM 731 O PRO A 67 14.995 -19.282 -6.847 1.00 0.00 O ATOM 732 CB PRO A 67 12.709 -21.292 -6.166 1.00 0.00 C ATOM 733 CG PRO A 67 11.285 -20.865 -6.095 1.00 0.00 C ATOM 734 CD PRO A 67 11.092 -20.261 -4.730 1.00 0.00 C ATOM 0 HA PRO A 67 14.331 -20.720 -4.794 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.076 -21.277 -7.192 1.00 0.00 H new ATOM 0 HB3 PRO A 67 12.835 -22.310 -5.797 1.00 0.00 H new ATOM 0 HG2 PRO A 67 11.057 -20.140 -6.877 1.00 0.00 H new ATOM 0 HG3 PRO A 67 10.617 -21.714 -6.243 1.00 0.00 H new ATOM 0 HD2 PRO A 67 10.392 -19.426 -4.757 1.00 0.00 H new ATOM 0 HD3 PRO A 67 10.693 -20.988 -4.023 1.00 0.00 H new ATOM 742 N PHE A 68 13.352 -17.988 -6.016 1.00 0.00 N ATOM 743 CA PHE A 68 13.699 -16.822 -6.821 1.00 0.00 C ATOM 744 C PHE A 68 14.630 -15.886 -6.059 1.00 0.00 C ATOM 745 O PHE A 68 15.332 -15.072 -6.657 1.00 0.00 O ATOM 746 CB PHE A 68 12.436 -16.065 -7.237 1.00 0.00 C ATOM 747 CG PHE A 68 11.301 -16.957 -7.656 1.00 0.00 C ATOM 748 CD1 PHE A 68 11.313 -17.584 -8.891 1.00 0.00 C ATOM 749 CD2 PHE A 68 10.220 -17.162 -6.816 1.00 0.00 C ATOM 750 CE1 PHE A 68 10.269 -18.400 -9.280 1.00 0.00 C ATOM 751 CE2 PHE A 68 9.171 -17.977 -7.198 1.00 0.00 C ATOM 752 CZ PHE A 68 9.196 -18.597 -8.433 1.00 0.00 C ATOM 0 H PHE A 68 12.578 -17.837 -5.369 1.00 0.00 H new ATOM 0 HA PHE A 68 14.216 -17.176 -7.713 1.00 0.00 H new ATOM 0 HB2 PHE A 68 12.107 -15.442 -6.405 1.00 0.00 H new ATOM 0 HB3 PHE A 68 12.681 -15.394 -8.061 1.00 0.00 H new ATOM 0 HD1 PHE A 68 12.149 -17.433 -9.558 1.00 0.00 H new ATOM 0 HD2 PHE A 68 10.196 -16.679 -5.850 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.292 -18.884 -10.245 1.00 0.00 H new ATOM 0 HE2 PHE A 68 8.334 -18.129 -6.533 1.00 0.00 H new ATOM 0 HZ PHE A 68 8.378 -19.234 -8.735 1.00 0.00 H new ATOM 762 N GLY A 69 14.616 -15.990 -4.740 1.00 0.00 N ATOM 763 CA GLY A 69 15.473 -15.159 -3.928 1.00 0.00 C ATOM 764 C GLY A 69 14.679 -14.084 -3.233 1.00 0.00 C ATOM 765 O GLY A 69 15.242 -13.139 -2.674 1.00 0.00 O ATOM 0 H GLY A 69 14.025 -16.637 -4.218 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.986 -15.773 -3.188 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.241 -14.703 -4.552 1.00 0.00 H new ATOM 769 N THR A 70 13.361 -14.233 -3.274 1.00 0.00 N ATOM 770 CA THR A 70 12.469 -13.289 -2.644 1.00 0.00 C ATOM 771 C THR A 70 12.468 -13.474 -1.128 1.00 0.00 C ATOM 772 O THR A 70 11.582 -14.116 -0.566 1.00 0.00 O ATOM 773 CB THR A 70 11.039 -13.456 -3.183 1.00 0.00 C ATOM 774 OG1 THR A 70 11.060 -14.257 -4.380 1.00 0.00 O ATOM 775 CG2 THR A 70 10.413 -12.102 -3.478 1.00 0.00 C ATOM 0 H THR A 70 12.891 -15.007 -3.743 1.00 0.00 H new ATOM 0 HA THR A 70 12.824 -12.285 -2.877 1.00 0.00 H new ATOM 0 HB THR A 70 10.438 -13.955 -2.423 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.147 -14.362 -4.719 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.401 -12.244 -3.858 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.377 -11.511 -2.563 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.011 -11.579 -4.224 1.00 0.00 H new ATOM 783 N ASN A 71 13.446 -12.870 -0.475 1.00 0.00 N ATOM 784 CA ASN A 71 13.604 -13.005 0.962 1.00 0.00 C ATOM 785 C ASN A 71 12.916 -11.849 1.679 1.00 0.00 C ATOM 786 O ASN A 71 13.562 -10.990 2.279 1.00 0.00 O ATOM 787 CB ASN A 71 15.093 -13.059 1.322 1.00 0.00 C ATOM 788 CG ASN A 71 15.530 -14.420 1.837 1.00 0.00 C ATOM 789 OD1 ASN A 71 16.305 -14.515 2.788 1.00 0.00 O ATOM 790 ND2 ASN A 71 15.051 -15.484 1.212 1.00 0.00 N ATOM 0 H ASN A 71 14.146 -12.278 -0.921 1.00 0.00 H new ATOM 0 HA ASN A 71 13.136 -13.934 1.286 1.00 0.00 H new ATOM 0 HB2 ASN A 71 15.683 -12.803 0.442 1.00 0.00 H new ATOM 0 HB3 ASN A 71 15.306 -12.305 2.079 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.323 -16.419 1.516 1.00 0.00 H new ATOM 0 HD22 ASN A 71 14.410 -15.369 0.427 1.00 0.00 H new ATOM 797 N THR A 72 11.593 -11.824 1.597 1.00 0.00 N ATOM 798 CA THR A 72 10.811 -10.766 2.215 1.00 0.00 C ATOM 799 C THR A 72 9.603 -11.343 2.942 1.00 0.00 C ATOM 800 O THR A 72 9.041 -12.354 2.523 1.00 0.00 O ATOM 801 CB THR A 72 10.335 -9.748 1.166 1.00 0.00 C ATOM 802 OG1 THR A 72 10.838 -10.120 -0.125 1.00 0.00 O ATOM 803 CG2 THR A 72 10.807 -8.342 1.506 1.00 0.00 C ATOM 0 H THR A 72 11.039 -12.527 1.107 1.00 0.00 H new ATOM 0 HA THR A 72 11.455 -10.259 2.934 1.00 0.00 H new ATOM 0 HB THR A 72 9.245 -9.751 1.159 1.00 0.00 H new ATOM 0 HG1 THR A 72 10.533 -9.472 -0.794 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.454 -7.646 0.745 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.409 -8.050 2.478 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.896 -8.322 1.539 1.00 0.00 H new ATOM 811 N TRP A 73 9.214 -10.700 4.029 1.00 0.00 N ATOM 812 CA TRP A 73 8.075 -11.143 4.819 1.00 0.00 C ATOM 813 C TRP A 73 7.103 -9.991 5.020 1.00 0.00 C ATOM 814 O TRP A 73 7.513 -8.834 5.077 1.00 0.00 O ATOM 815 CB TRP A 73 8.547 -11.678 6.172 1.00 0.00 C ATOM 816 CG TRP A 73 8.490 -13.172 6.275 1.00 0.00 C ATOM 817 CD1 TRP A 73 7.645 -14.011 5.607 1.00 0.00 C ATOM 818 CD2 TRP A 73 9.321 -14.005 7.091 1.00 0.00 C ATOM 819 NE1 TRP A 73 7.897 -15.314 5.963 1.00 0.00 N ATOM 820 CE2 TRP A 73 8.922 -15.335 6.871 1.00 0.00 C ATOM 821 CE3 TRP A 73 10.361 -13.753 7.988 1.00 0.00 C ATOM 822 CZ2 TRP A 73 9.530 -16.410 7.514 1.00 0.00 C ATOM 823 CZ3 TRP A 73 10.963 -14.820 8.624 1.00 0.00 C ATOM 824 CH2 TRP A 73 10.547 -16.134 8.384 1.00 0.00 C ATOM 0 H TRP A 73 9.673 -9.863 4.388 1.00 0.00 H new ATOM 0 HA TRP A 73 7.566 -11.945 4.285 1.00 0.00 H new ATOM 0 HB2 TRP A 73 9.571 -11.348 6.347 1.00 0.00 H new ATOM 0 HB3 TRP A 73 7.933 -11.243 6.960 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.889 -13.697 4.902 1.00 0.00 H new ATOM 0 HE1 TRP A 73 7.401 -16.132 5.609 1.00 0.00 H new ATOM 0 HE3 TRP A 73 10.688 -12.742 8.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 9.209 -17.425 7.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 11.769 -14.637 9.319 1.00 0.00 H new ATOM 0 HH2 TRP A 73 11.040 -16.947 8.897 1.00 0.00 H new ATOM 835 N PHE A 74 5.820 -10.301 5.115 1.00 0.00 N ATOM 836 CA PHE A 74 4.816 -9.271 5.327 1.00 0.00 C ATOM 837 C PHE A 74 3.839 -9.691 6.421 1.00 0.00 C ATOM 838 O PHE A 74 3.364 -10.830 6.450 1.00 0.00 O ATOM 839 CB PHE A 74 4.073 -8.942 4.020 1.00 0.00 C ATOM 840 CG PHE A 74 3.178 -10.041 3.508 1.00 0.00 C ATOM 841 CD1 PHE A 74 3.708 -11.142 2.854 1.00 0.00 C ATOM 842 CD2 PHE A 74 1.801 -9.966 3.676 1.00 0.00 C ATOM 843 CE1 PHE A 74 2.887 -12.145 2.377 1.00 0.00 C ATOM 844 CE2 PHE A 74 0.977 -10.969 3.202 1.00 0.00 C ATOM 845 CZ PHE A 74 1.521 -12.059 2.552 1.00 0.00 C ATOM 0 H PHE A 74 5.451 -11.250 5.049 1.00 0.00 H new ATOM 0 HA PHE A 74 5.325 -8.365 5.654 1.00 0.00 H new ATOM 0 HB2 PHE A 74 3.472 -8.046 4.176 1.00 0.00 H new ATOM 0 HB3 PHE A 74 4.808 -8.703 3.251 1.00 0.00 H new ATOM 0 HD1 PHE A 74 4.776 -11.217 2.716 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.370 -9.115 4.182 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.314 -12.996 1.867 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.092 -10.900 3.340 1.00 0.00 H new ATOM 0 HZ PHE A 74 0.878 -12.843 2.181 1.00 0.00 H new ATOM 855 N TYR A 75 3.567 -8.776 7.332 1.00 0.00 N ATOM 856 CA TYR A 75 2.663 -9.040 8.435 1.00 0.00 C ATOM 857 C TYR A 75 1.452 -8.125 8.362 1.00 0.00 C ATOM 858 O TYR A 75 1.589 -6.918 8.143 1.00 0.00 O ATOM 859 CB TYR A 75 3.385 -8.845 9.764 1.00 0.00 C ATOM 860 CG TYR A 75 3.862 -10.133 10.382 1.00 0.00 C ATOM 861 CD1 TYR A 75 2.959 -11.028 10.935 1.00 0.00 C ATOM 862 CD2 TYR A 75 5.212 -10.457 10.412 1.00 0.00 C ATOM 863 CE1 TYR A 75 3.386 -12.209 11.501 1.00 0.00 C ATOM 864 CE2 TYR A 75 5.646 -11.639 10.979 1.00 0.00 C ATOM 865 CZ TYR A 75 4.728 -12.512 11.521 1.00 0.00 C ATOM 866 OH TYR A 75 5.153 -13.695 12.086 1.00 0.00 O ATOM 0 H TYR A 75 3.963 -7.836 7.329 1.00 0.00 H new ATOM 0 HA TYR A 75 2.323 -10.073 8.364 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.240 -8.186 9.611 1.00 0.00 H new ATOM 0 HB3 TYR A 75 2.716 -8.342 10.462 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.904 -10.796 10.922 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.933 -9.775 9.986 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.669 -12.895 11.928 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.699 -11.878 10.998 1.00 0.00 H new ATOM 0 HH TYR A 75 4.454 -14.375 11.986 1.00 0.00 H new ATOM 876 N VAL A 76 0.275 -8.696 8.556 1.00 0.00 N ATOM 877 CA VAL A 76 -0.961 -7.929 8.485 1.00 0.00 C ATOM 878 C VAL A 76 -1.495 -7.666 9.884 1.00 0.00 C ATOM 879 O VAL A 76 -1.989 -8.572 10.556 1.00 0.00 O ATOM 880 CB VAL A 76 -2.043 -8.643 7.640 1.00 0.00 C ATOM 881 CG1 VAL A 76 -1.902 -8.270 6.172 1.00 0.00 C ATOM 882 CG2 VAL A 76 -1.973 -10.156 7.823 1.00 0.00 C ATOM 0 H VAL A 76 0.147 -9.686 8.764 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.727 -6.984 7.995 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.021 -8.310 7.989 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.670 -8.781 5.591 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.017 -7.192 6.058 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.917 -8.570 5.813 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.745 -10.632 7.218 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.993 -10.515 7.510 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.131 -10.403 8.873 1.00 0.00 H new ATOM 892 N PHE A 77 -1.387 -6.424 10.326 1.00 0.00 N ATOM 893 CA PHE A 77 -1.822 -6.057 11.662 1.00 0.00 C ATOM 894 C PHE A 77 -2.944 -5.034 11.603 1.00 0.00 C ATOM 895 O PHE A 77 -2.745 -3.906 11.155 1.00 0.00 O ATOM 896 CB PHE A 77 -0.652 -5.481 12.465 1.00 0.00 C ATOM 897 CG PHE A 77 0.442 -6.469 12.749 1.00 0.00 C ATOM 898 CD1 PHE A 77 0.145 -7.755 13.165 1.00 0.00 C ATOM 899 CD2 PHE A 77 1.769 -6.105 12.604 1.00 0.00 C ATOM 900 CE1 PHE A 77 1.152 -8.661 13.430 1.00 0.00 C ATOM 901 CE2 PHE A 77 2.780 -7.007 12.868 1.00 0.00 C ATOM 902 CZ PHE A 77 2.470 -8.287 13.282 1.00 0.00 C ATOM 0 H PHE A 77 -1.002 -5.654 9.779 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.190 -6.958 12.153 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.231 -4.637 11.919 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.031 -5.093 13.410 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.886 -8.053 13.284 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.016 -5.105 12.281 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.907 -9.662 13.753 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.812 -6.712 12.751 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.259 -8.994 13.490 1.00 0.00 H new ATOM 912 N ARG A 78 -4.125 -5.424 12.048 1.00 0.00 N ATOM 913 CA ARG A 78 -5.226 -4.486 12.147 1.00 0.00 C ATOM 914 C ARG A 78 -5.223 -3.860 13.533 1.00 0.00 C ATOM 915 O ARG A 78 -5.633 -4.482 14.512 1.00 0.00 O ATOM 916 CB ARG A 78 -6.566 -5.177 11.870 1.00 0.00 C ATOM 917 CG ARG A 78 -6.965 -5.156 10.401 1.00 0.00 C ATOM 918 CD ARG A 78 -8.411 -4.724 10.215 1.00 0.00 C ATOM 919 NE ARG A 78 -9.349 -5.811 10.486 1.00 0.00 N ATOM 920 CZ ARG A 78 -10.577 -5.628 10.978 1.00 0.00 C ATOM 921 NH1 ARG A 78 -11.040 -4.398 11.173 1.00 0.00 N ATOM 922 NH2 ARG A 78 -11.353 -6.673 11.245 1.00 0.00 N ATOM 0 H ARG A 78 -4.344 -6.375 12.344 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.098 -3.707 11.395 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.510 -6.211 12.209 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.345 -4.691 12.457 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.310 -4.477 9.856 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.824 -6.148 9.972 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -8.627 -3.886 10.878 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.554 -4.368 9.195 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.048 -6.765 10.288 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.457 -3.592 10.947 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.978 -4.260 11.549 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.011 -7.619 11.074 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.290 -6.529 11.621 1.00 0.00 H new ATOM 936 N GLN A 79 -4.748 -2.628 13.606 1.00 0.00 N ATOM 937 CA GLN A 79 -4.636 -1.925 14.872 1.00 0.00 C ATOM 938 C GLN A 79 -5.322 -0.573 14.770 1.00 0.00 C ATOM 939 O GLN A 79 -4.863 0.431 15.322 1.00 0.00 O ATOM 940 CB GLN A 79 -3.165 -1.767 15.277 1.00 0.00 C ATOM 941 CG GLN A 79 -2.272 -1.185 14.191 1.00 0.00 C ATOM 942 CD GLN A 79 -1.317 -0.136 14.729 1.00 0.00 C ATOM 943 OE1 GLN A 79 -1.738 0.917 15.205 1.00 0.00 O ATOM 944 NE2 GLN A 79 -0.023 -0.416 14.666 1.00 0.00 N ATOM 0 H GLN A 79 -4.432 -2.092 12.798 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.131 -2.510 15.648 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.110 -1.126 16.157 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -2.774 -2.742 15.568 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -1.701 -1.988 13.725 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -2.893 -0.742 13.412 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.288 -1.300 14.264 1.00 0.00 H new ATOM 0 HE22 GLN A 79 0.661 0.253 15.019 1.00 0.00 H new ATOM 953 N GLN A 80 -6.432 -0.565 14.055 1.00 0.00 N ATOM 954 CA GLN A 80 -7.180 0.650 13.806 1.00 0.00 C ATOM 955 C GLN A 80 -8.563 0.563 14.442 1.00 0.00 C ATOM 956 O GLN A 80 -9.218 -0.479 14.372 1.00 0.00 O ATOM 957 CB GLN A 80 -7.302 0.884 12.297 1.00 0.00 C ATOM 958 CG GLN A 80 -7.936 -0.279 11.546 1.00 0.00 C ATOM 959 CD GLN A 80 -6.948 -1.038 10.678 1.00 0.00 C ATOM 960 OE1 GLN A 80 -5.800 -1.274 11.069 1.00 0.00 O ATOM 961 NE2 GLN A 80 -7.393 -1.440 9.499 1.00 0.00 N ATOM 0 H GLN A 80 -6.838 -1.399 13.632 1.00 0.00 H new ATOM 0 HA GLN A 80 -6.649 1.490 14.254 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.895 1.782 12.124 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.310 1.073 11.886 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.383 -0.967 12.264 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.745 0.098 10.920 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.348 -1.224 9.214 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -6.781 -1.966 8.875 1.00 0.00 H new ATOM 970 N PRO A 81 -9.013 1.643 15.095 1.00 0.00 N ATOM 971 CA PRO A 81 -10.346 1.712 15.683 1.00 0.00 C ATOM 972 C PRO A 81 -11.413 1.979 14.627 1.00 0.00 C ATOM 973 O PRO A 81 -11.101 2.385 13.506 1.00 0.00 O ATOM 974 CB PRO A 81 -10.259 2.896 16.662 1.00 0.00 C ATOM 975 CG PRO A 81 -8.834 3.352 16.633 1.00 0.00 C ATOM 976 CD PRO A 81 -8.266 2.880 15.327 1.00 0.00 C ATOM 0 HA PRO A 81 -10.629 0.775 16.163 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.932 3.700 16.363 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.551 2.593 17.667 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.772 4.437 16.714 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.276 2.937 17.472 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -8.422 3.606 14.529 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -7.193 2.702 15.390 1.00 0.00 H new ATOM 984 N GLY A 82 -12.670 1.764 14.986 1.00 0.00 N ATOM 985 CA GLY A 82 -13.756 2.006 14.057 1.00 0.00 C ATOM 986 C GLY A 82 -14.121 3.474 13.976 1.00 0.00 C ATOM 987 O GLY A 82 -15.198 3.877 14.414 1.00 0.00 O ATOM 0 H GLY A 82 -12.958 1.426 15.904 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -13.472 1.648 13.067 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.630 1.432 14.365 1.00 0.00 H new ATOM 991 N HIS A 83 -13.209 4.277 13.444 1.00 0.00 N ATOM 992 CA HIS A 83 -13.434 5.708 13.282 1.00 0.00 C ATOM 993 C HIS A 83 -12.348 6.315 12.403 1.00 0.00 C ATOM 994 O HIS A 83 -12.395 6.201 11.178 1.00 0.00 O ATOM 995 CB HIS A 83 -13.468 6.414 14.643 1.00 0.00 C ATOM 996 CG HIS A 83 -14.629 7.343 14.804 1.00 0.00 C ATOM 997 ND1 HIS A 83 -14.546 8.701 14.589 1.00 0.00 N ATOM 998 CD2 HIS A 83 -15.907 7.102 15.173 1.00 0.00 C ATOM 999 CE1 HIS A 83 -15.720 9.253 14.820 1.00 0.00 C ATOM 1000 NE2 HIS A 83 -16.561 8.304 15.176 1.00 0.00 N ATOM 0 H HIS A 83 -12.298 3.958 13.114 1.00 0.00 H new ATOM 0 HA HIS A 83 -14.401 5.849 12.800 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -13.502 5.663 15.432 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -12.543 6.975 14.776 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -13.707 9.201 14.297 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -16.332 6.140 15.419 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -15.953 10.304 14.732 1.00 0.00 H new ATOM 1009 N GLU A 84 -11.360 6.936 13.029 1.00 0.00 N ATOM 1010 CA GLU A 84 -10.282 7.580 12.297 1.00 0.00 C ATOM 1011 C GLU A 84 -9.106 6.633 12.143 1.00 0.00 C ATOM 1012 O GLU A 84 -8.874 5.772 12.993 1.00 0.00 O ATOM 1013 CB GLU A 84 -9.835 8.857 13.009 1.00 0.00 C ATOM 1014 CG GLU A 84 -10.544 10.103 12.511 1.00 0.00 C ATOM 1015 CD GLU A 84 -12.041 10.041 12.723 1.00 0.00 C ATOM 1016 OE1 GLU A 84 -12.484 10.137 13.888 1.00 0.00 O ATOM 1017 OE2 GLU A 84 -12.785 9.898 11.731 1.00 0.00 O ATOM 0 H GLU A 84 -11.283 7.007 14.044 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.653 7.844 11.307 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.013 8.749 14.079 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.760 8.981 12.876 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.143 10.976 13.026 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.336 10.236 11.449 1.00 0.00 H new ATOM 1024 N GLY A 85 -8.371 6.797 11.053 1.00 0.00 N ATOM 1025 CA GLY A 85 -7.223 5.956 10.801 1.00 0.00 C ATOM 1026 C GLY A 85 -7.617 4.575 10.328 1.00 0.00 C ATOM 1027 O GLY A 85 -7.071 3.575 10.790 1.00 0.00 O ATOM 0 H GLY A 85 -8.551 7.501 10.337 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.588 6.427 10.051 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.631 5.871 11.712 1.00 0.00 H new ATOM 1031 N VAL A 86 -8.554 4.513 9.395 1.00 0.00 N ATOM 1032 CA VAL A 86 -9.021 3.236 8.883 1.00 0.00 C ATOM 1033 C VAL A 86 -8.265 2.919 7.615 1.00 0.00 C ATOM 1034 O VAL A 86 -8.677 3.274 6.510 1.00 0.00 O ATOM 1035 CB VAL A 86 -10.539 3.214 8.612 1.00 0.00 C ATOM 1036 CG1 VAL A 86 -11.248 2.342 9.636 1.00 0.00 C ATOM 1037 CG2 VAL A 86 -11.115 4.619 8.618 1.00 0.00 C ATOM 0 H VAL A 86 -9.004 5.328 8.979 1.00 0.00 H new ATOM 0 HA VAL A 86 -8.834 2.482 9.647 1.00 0.00 H new ATOM 0 HB VAL A 86 -10.700 2.789 7.621 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -12.319 2.337 9.431 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -10.862 1.324 9.577 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -11.072 2.739 10.636 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -12.187 4.574 8.424 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -10.941 5.079 9.591 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -10.631 5.214 7.843 1.00 0.00 H new ATOM 1047 N THR A 87 -7.139 2.270 7.800 1.00 0.00 N ATOM 1048 CA THR A 87 -6.193 2.031 6.742 1.00 0.00 C ATOM 1049 C THR A 87 -5.232 0.945 7.233 1.00 0.00 C ATOM 1050 O THR A 87 -5.339 0.530 8.389 1.00 0.00 O ATOM 1051 CB THR A 87 -5.483 3.358 6.360 1.00 0.00 C ATOM 1052 OG1 THR A 87 -4.371 3.123 5.484 1.00 0.00 O ATOM 1053 CG2 THR A 87 -5.024 4.113 7.599 1.00 0.00 C ATOM 0 H THR A 87 -6.853 1.889 8.702 1.00 0.00 H new ATOM 0 HA THR A 87 -6.675 1.680 5.829 1.00 0.00 H new ATOM 0 HB THR A 87 -6.212 3.972 5.831 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.945 3.977 5.260 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.531 5.038 7.300 1.00 0.00 H new ATOM 0 HG22 THR A 87 -5.887 4.348 8.223 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.326 3.495 8.164 1.00 0.00 H new ATOM 1061 N GLN A 88 -4.301 0.480 6.416 1.00 0.00 N ATOM 1062 CA GLN A 88 -3.652 -0.786 6.723 1.00 0.00 C ATOM 1063 C GLN A 88 -2.174 -0.651 7.046 1.00 0.00 C ATOM 1064 O GLN A 88 -1.343 -0.367 6.183 1.00 0.00 O ATOM 1065 CB GLN A 88 -3.853 -1.791 5.599 1.00 0.00 C ATOM 1066 CG GLN A 88 -4.128 -3.202 6.103 1.00 0.00 C ATOM 1067 CD GLN A 88 -4.694 -3.237 7.519 1.00 0.00 C ATOM 1068 OE1 GLN A 88 -5.907 -3.165 7.720 1.00 0.00 O ATOM 1069 NE2 GLN A 88 -3.819 -3.342 8.514 1.00 0.00 N ATOM 0 H GLN A 88 -3.985 0.941 5.563 1.00 0.00 H new ATOM 0 HA GLN A 88 -4.137 -1.152 7.628 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -4.684 -1.466 4.973 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.965 -1.804 4.967 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.829 -3.692 5.427 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.203 -3.777 6.075 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -2.821 -3.400 8.312 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -4.146 -3.365 9.480 1.00 0.00 H new ATOM 1078 N GLN A 89 -1.872 -0.873 8.312 1.00 0.00 N ATOM 1079 CA GLN A 89 -0.503 -0.939 8.789 1.00 0.00 C ATOM 1080 C GLN A 89 0.089 -2.284 8.393 1.00 0.00 C ATOM 1081 O GLN A 89 -0.521 -3.330 8.630 1.00 0.00 O ATOM 1082 CB GLN A 89 -0.468 -0.760 10.309 1.00 0.00 C ATOM 1083 CG GLN A 89 -1.844 -0.822 10.959 1.00 0.00 C ATOM 1084 CD GLN A 89 -2.454 0.551 11.183 1.00 0.00 C ATOM 1085 OE1 GLN A 89 -1.753 1.514 11.474 1.00 0.00 O ATOM 1086 NE2 GLN A 89 -3.765 0.649 11.058 1.00 0.00 N ATOM 0 H GLN A 89 -2.572 -1.013 9.041 1.00 0.00 H new ATOM 0 HA GLN A 89 0.086 -0.139 8.341 1.00 0.00 H new ATOM 0 HB2 GLN A 89 0.166 -1.533 10.744 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.007 0.199 10.544 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.511 -1.412 10.331 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -1.766 -1.340 11.915 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -4.317 -0.173 10.815 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.226 1.547 11.205 1.00 0.00 H new ATOM 1095 N THR A 90 1.254 -2.258 7.769 1.00 0.00 N ATOM 1096 CA THR A 90 1.852 -3.473 7.244 1.00 0.00 C ATOM 1097 C THR A 90 3.317 -3.586 7.636 1.00 0.00 C ATOM 1098 O THR A 90 4.128 -2.722 7.307 1.00 0.00 O ATOM 1099 CB THR A 90 1.730 -3.523 5.710 1.00 0.00 C ATOM 1100 OG1 THR A 90 0.665 -2.662 5.283 1.00 0.00 O ATOM 1101 CG2 THR A 90 1.464 -4.940 5.225 1.00 0.00 C ATOM 0 H THR A 90 1.803 -1.412 7.614 1.00 0.00 H new ATOM 0 HA THR A 90 1.309 -4.312 7.678 1.00 0.00 H new ATOM 0 HB THR A 90 2.674 -3.186 5.282 1.00 0.00 H new ATOM 0 HG1 THR A 90 0.590 -2.694 4.306 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.383 -4.943 4.138 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.285 -5.589 5.529 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.533 -5.305 5.659 1.00 0.00 H new ATOM 1109 N LEU A 91 3.645 -4.659 8.341 1.00 0.00 N ATOM 1110 CA LEU A 91 5.014 -4.901 8.767 1.00 0.00 C ATOM 1111 C LEU A 91 5.783 -5.603 7.653 1.00 0.00 C ATOM 1112 O LEU A 91 5.493 -6.752 7.319 1.00 0.00 O ATOM 1113 CB LEU A 91 5.040 -5.753 10.045 1.00 0.00 C ATOM 1114 CG LEU A 91 5.496 -5.027 11.317 1.00 0.00 C ATOM 1115 CD1 LEU A 91 7.009 -4.923 11.358 1.00 0.00 C ATOM 1116 CD2 LEU A 91 4.863 -3.648 11.406 1.00 0.00 C ATOM 0 H LEU A 91 2.980 -5.376 8.630 1.00 0.00 H new ATOM 0 HA LEU A 91 5.488 -3.944 8.983 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.040 -6.152 10.215 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.699 -6.605 9.879 1.00 0.00 H new ATOM 0 HG LEU A 91 5.168 -5.609 12.178 1.00 0.00 H new ATOM 0 HD11 LEU A 91 7.314 -4.405 12.267 1.00 0.00 H new ATOM 0 HD12 LEU A 91 7.443 -5.923 11.347 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.359 -4.366 10.489 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.200 -3.151 12.316 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.157 -3.056 10.539 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.778 -3.747 11.427 1.00 0.00 H new ATOM 1128 N THR A 92 6.747 -4.909 7.071 1.00 0.00 N ATOM 1129 CA THR A 92 7.514 -5.462 5.967 1.00 0.00 C ATOM 1130 C THR A 92 8.916 -5.865 6.420 1.00 0.00 C ATOM 1131 O THR A 92 9.744 -5.021 6.754 1.00 0.00 O ATOM 1132 CB THR A 92 7.602 -4.464 4.800 1.00 0.00 C ATOM 1133 OG1 THR A 92 6.405 -3.676 4.753 1.00 0.00 O ATOM 1134 CG2 THR A 92 7.787 -5.191 3.478 1.00 0.00 C ATOM 0 H THR A 92 7.017 -3.964 7.344 1.00 0.00 H new ATOM 0 HA THR A 92 6.993 -6.354 5.620 1.00 0.00 H new ATOM 0 HB THR A 92 8.465 -3.817 4.961 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.462 -3.039 4.011 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.846 -4.464 2.668 1.00 0.00 H new ATOM 0 HG22 THR A 92 8.707 -5.775 3.510 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.941 -5.856 3.307 1.00 0.00 H new ATOM 1142 N LEU A 93 9.163 -7.161 6.443 1.00 0.00 N ATOM 1143 CA LEU A 93 10.448 -7.691 6.866 1.00 0.00 C ATOM 1144 C LEU A 93 11.336 -7.926 5.649 1.00 0.00 C ATOM 1145 O LEU A 93 10.886 -8.485 4.651 1.00 0.00 O ATOM 1146 CB LEU A 93 10.259 -9.003 7.623 1.00 0.00 C ATOM 1147 CG LEU A 93 9.997 -8.881 9.129 1.00 0.00 C ATOM 1148 CD1 LEU A 93 8.701 -8.132 9.410 1.00 0.00 C ATOM 1149 CD2 LEU A 93 9.968 -10.261 9.770 1.00 0.00 C ATOM 0 H LEU A 93 8.485 -7.873 6.171 1.00 0.00 H new ATOM 0 HA LEU A 93 10.923 -6.967 7.528 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.426 -9.542 7.172 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.150 -9.614 7.478 1.00 0.00 H new ATOM 0 HG LEU A 93 10.812 -8.305 9.568 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.546 -8.064 10.487 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.762 -7.129 8.988 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.866 -8.667 8.957 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.781 -10.162 10.839 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.175 -10.856 9.317 1.00 0.00 H new ATOM 0 HD23 LEU A 93 10.927 -10.755 9.614 1.00 0.00 H new ATOM 1161 N THR A 94 12.588 -7.511 5.734 1.00 0.00 N ATOM 1162 CA THR A 94 13.513 -7.648 4.627 1.00 0.00 C ATOM 1163 C THR A 94 14.813 -8.258 5.108 1.00 0.00 C ATOM 1164 O THR A 94 15.498 -7.686 5.958 1.00 0.00 O ATOM 1165 CB THR A 94 13.800 -6.289 3.963 1.00 0.00 C ATOM 1166 OG1 THR A 94 12.759 -5.359 4.304 1.00 0.00 O ATOM 1167 CG2 THR A 94 13.897 -6.432 2.451 1.00 0.00 C ATOM 0 H THR A 94 12.987 -7.074 6.565 1.00 0.00 H new ATOM 0 HA THR A 94 13.051 -8.302 3.887 1.00 0.00 H new ATOM 0 HB THR A 94 14.757 -5.917 4.330 1.00 0.00 H new ATOM 0 HG1 THR A 94 12.849 -5.098 5.244 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.100 -5.458 2.006 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.704 -7.121 2.202 1.00 0.00 H new ATOM 0 HG23 THR A 94 12.956 -6.820 2.061 1.00 0.00 H new ATOM 1175 N PHE A 95 15.138 -9.425 4.584 1.00 0.00 N ATOM 1176 CA PHE A 95 16.339 -10.124 4.989 1.00 0.00 C ATOM 1177 C PHE A 95 17.194 -10.431 3.773 1.00 0.00 C ATOM 1178 O PHE A 95 16.682 -10.835 2.730 1.00 0.00 O ATOM 1179 CB PHE A 95 16.012 -11.417 5.765 1.00 0.00 C ATOM 1180 CG PHE A 95 14.624 -11.968 5.548 1.00 0.00 C ATOM 1181 CD1 PHE A 95 13.510 -11.335 6.077 1.00 0.00 C ATOM 1182 CD2 PHE A 95 14.440 -13.130 4.822 1.00 0.00 C ATOM 1183 CE1 PHE A 95 12.244 -11.846 5.880 1.00 0.00 C ATOM 1184 CE2 PHE A 95 13.175 -13.648 4.622 1.00 0.00 C ATOM 1185 CZ PHE A 95 12.077 -13.004 5.150 1.00 0.00 C ATOM 0 H PHE A 95 14.585 -9.908 3.876 1.00 0.00 H new ATOM 0 HA PHE A 95 16.897 -9.474 5.663 1.00 0.00 H new ATOM 0 HB2 PHE A 95 16.736 -12.182 5.485 1.00 0.00 H new ATOM 0 HB3 PHE A 95 16.146 -11.226 6.830 1.00 0.00 H new ATOM 0 HD1 PHE A 95 13.635 -10.429 6.651 1.00 0.00 H new ATOM 0 HD2 PHE A 95 15.296 -13.640 4.406 1.00 0.00 H new ATOM 0 HE1 PHE A 95 11.385 -11.340 6.297 1.00 0.00 H new ATOM 0 HE2 PHE A 95 13.047 -14.557 4.052 1.00 0.00 H new ATOM 0 HZ PHE A 95 11.087 -13.406 4.992 1.00 0.00 H new ATOM 1195 N ASN A 96 18.490 -10.206 3.906 1.00 0.00 N ATOM 1196 CA ASN A 96 19.422 -10.475 2.824 1.00 0.00 C ATOM 1197 C ASN A 96 19.615 -11.977 2.669 1.00 0.00 C ATOM 1198 O ASN A 96 19.255 -12.742 3.571 1.00 0.00 O ATOM 1199 CB ASN A 96 20.764 -9.791 3.093 1.00 0.00 C ATOM 1200 CG ASN A 96 21.209 -8.920 1.936 1.00 0.00 C ATOM 1201 OD1 ASN A 96 20.440 -8.107 1.417 1.00 0.00 O ATOM 1202 ND2 ASN A 96 22.458 -9.077 1.528 1.00 0.00 N ATOM 0 H ASN A 96 18.921 -9.837 4.754 1.00 0.00 H new ATOM 0 HA ASN A 96 19.012 -10.074 1.897 1.00 0.00 H new ATOM 0 HB2 ASN A 96 20.685 -9.182 3.993 1.00 0.00 H new ATOM 0 HB3 ASN A 96 21.523 -10.549 3.287 1.00 0.00 H new ATOM 0 HD21 ASN A 96 22.817 -8.514 0.757 1.00 0.00 H new ATOM 0 HD22 ASN A 96 23.062 -9.761 1.985 1.00 0.00 H new ATOM 1209 N SER A 97 20.202 -12.389 1.543 1.00 0.00 N ATOM 1210 CA SER A 97 20.370 -13.808 1.203 1.00 0.00 C ATOM 1211 C SER A 97 21.126 -14.596 2.277 1.00 0.00 C ATOM 1212 O SER A 97 21.126 -15.826 2.264 1.00 0.00 O ATOM 1213 CB SER A 97 21.095 -13.932 -0.134 1.00 0.00 C ATOM 1214 OG SER A 97 20.980 -12.736 -0.888 1.00 0.00 O ATOM 0 H SER A 97 20.575 -11.751 0.840 1.00 0.00 H new ATOM 0 HA SER A 97 19.372 -14.241 1.137 1.00 0.00 H new ATOM 0 HB2 SER A 97 22.147 -14.157 0.039 1.00 0.00 H new ATOM 0 HB3 SER A 97 20.679 -14.765 -0.701 1.00 0.00 H new ATOM 0 HG SER A 97 21.454 -12.839 -1.740 1.00 0.00 H new ATOM 1220 N SER A 98 21.764 -13.886 3.197 1.00 0.00 N ATOM 1221 CA SER A 98 22.445 -14.508 4.318 1.00 0.00 C ATOM 1222 C SER A 98 21.430 -15.030 5.338 1.00 0.00 C ATOM 1223 O SER A 98 21.792 -15.686 6.315 1.00 0.00 O ATOM 1224 CB SER A 98 23.370 -13.483 4.969 1.00 0.00 C ATOM 1225 OG SER A 98 23.128 -12.188 4.437 1.00 0.00 O ATOM 0 H SER A 98 21.823 -12.868 3.186 1.00 0.00 H new ATOM 0 HA SER A 98 23.032 -15.354 3.961 1.00 0.00 H new ATOM 0 HB2 SER A 98 23.213 -13.475 6.048 1.00 0.00 H new ATOM 0 HB3 SER A 98 24.410 -13.764 4.801 1.00 0.00 H new ATOM 0 HG SER A 98 23.727 -11.541 4.865 1.00 0.00 H new ATOM 1231 N GLY A 99 20.157 -14.728 5.098 1.00 0.00 N ATOM 1232 CA GLY A 99 19.103 -15.132 6.004 1.00 0.00 C ATOM 1233 C GLY A 99 18.951 -14.153 7.146 1.00 0.00 C ATOM 1234 O GLY A 99 18.252 -14.420 8.115 1.00 0.00 O ATOM 0 H GLY A 99 19.837 -14.205 4.283 1.00 0.00 H new ATOM 0 HA2 GLY A 99 18.162 -15.207 5.459 1.00 0.00 H new ATOM 0 HA3 GLY A 99 19.322 -16.124 6.400 1.00 0.00 H new ATOM 1238 N VAL A 100 19.585 -13.003 6.993 1.00 0.00 N ATOM 1239 CA VAL A 100 19.698 -12.023 8.057 1.00 0.00 C ATOM 1240 C VAL A 100 18.771 -10.836 7.808 1.00 0.00 C ATOM 1241 O VAL A 100 18.844 -10.195 6.757 1.00 0.00 O ATOM 1242 CB VAL A 100 21.168 -11.543 8.173 1.00 0.00 C ATOM 1243 CG1 VAL A 100 21.264 -10.098 8.644 1.00 0.00 C ATOM 1244 CG2 VAL A 100 21.952 -12.461 9.101 1.00 0.00 C ATOM 0 H VAL A 100 20.037 -12.723 6.123 1.00 0.00 H new ATOM 0 HA VAL A 100 19.398 -12.492 8.994 1.00 0.00 H new ATOM 0 HB VAL A 100 21.605 -11.586 7.176 1.00 0.00 H new ATOM 0 HG11 VAL A 100 22.312 -9.806 8.710 1.00 0.00 H new ATOM 0 HG12 VAL A 100 20.751 -9.449 7.934 1.00 0.00 H new ATOM 0 HG13 VAL A 100 20.798 -10.003 9.625 1.00 0.00 H new ATOM 0 HG21 VAL A 100 22.982 -12.112 9.173 1.00 0.00 H new ATOM 0 HG22 VAL A 100 21.496 -12.453 10.091 1.00 0.00 H new ATOM 0 HG23 VAL A 100 21.940 -13.476 8.704 1.00 0.00 H new ATOM 1254 N LEU A 101 17.883 -10.576 8.767 1.00 0.00 N ATOM 1255 CA LEU A 101 17.006 -9.405 8.725 1.00 0.00 C ATOM 1256 C LEU A 101 17.835 -8.135 8.584 1.00 0.00 C ATOM 1257 O LEU A 101 18.503 -7.714 9.530 1.00 0.00 O ATOM 1258 CB LEU A 101 16.174 -9.330 10.006 1.00 0.00 C ATOM 1259 CG LEU A 101 14.709 -9.748 9.872 1.00 0.00 C ATOM 1260 CD1 LEU A 101 13.991 -8.881 8.849 1.00 0.00 C ATOM 1261 CD2 LEU A 101 14.600 -11.221 9.501 1.00 0.00 C ATOM 0 H LEU A 101 17.751 -11.165 9.589 1.00 0.00 H new ATOM 0 HA LEU A 101 16.341 -9.497 7.866 1.00 0.00 H new ATOM 0 HB2 LEU A 101 16.645 -9.960 10.760 1.00 0.00 H new ATOM 0 HB3 LEU A 101 16.208 -8.307 10.380 1.00 0.00 H new ATOM 0 HG LEU A 101 14.226 -9.603 10.838 1.00 0.00 H new ATOM 0 HD11 LEU A 101 12.951 -9.197 8.771 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.031 -7.838 9.164 1.00 0.00 H new ATOM 0 HD13 LEU A 101 14.476 -8.986 7.879 1.00 0.00 H new ATOM 0 HD21 LEU A 101 13.549 -11.497 9.411 1.00 0.00 H new ATOM 0 HD22 LEU A 101 15.104 -11.395 8.550 1.00 0.00 H new ATOM 0 HD23 LEU A 101 15.069 -11.827 10.276 1.00 0.00 H new ATOM 1273 N THR A 102 17.803 -7.536 7.408 1.00 0.00 N ATOM 1274 CA THR A 102 18.597 -6.352 7.145 1.00 0.00 C ATOM 1275 C THR A 102 17.762 -5.091 7.312 1.00 0.00 C ATOM 1276 O THR A 102 18.248 -4.069 7.799 1.00 0.00 O ATOM 1277 CB THR A 102 19.192 -6.399 5.726 1.00 0.00 C ATOM 1278 OG1 THR A 102 18.395 -7.251 4.894 1.00 0.00 O ATOM 1279 CG2 THR A 102 20.626 -6.909 5.758 1.00 0.00 C ATOM 0 H THR A 102 17.236 -7.850 6.621 1.00 0.00 H new ATOM 0 HA THR A 102 19.412 -6.331 7.869 1.00 0.00 H new ATOM 0 HB THR A 102 19.193 -5.388 5.319 1.00 0.00 H new ATOM 0 HG1 THR A 102 18.776 -7.277 3.992 1.00 0.00 H new ATOM 0 HG21 THR A 102 21.026 -6.934 4.744 1.00 0.00 H new ATOM 0 HG22 THR A 102 21.235 -6.245 6.372 1.00 0.00 H new ATOM 0 HG23 THR A 102 20.646 -7.914 6.180 1.00 0.00 H new ATOM 1287 N ASN A 103 16.496 -5.174 6.927 1.00 0.00 N ATOM 1288 CA ASN A 103 15.597 -4.034 7.009 1.00 0.00 C ATOM 1289 C ASN A 103 14.237 -4.460 7.545 1.00 0.00 C ATOM 1290 O ASN A 103 13.701 -5.494 7.152 1.00 0.00 O ATOM 1291 CB ASN A 103 15.427 -3.388 5.628 1.00 0.00 C ATOM 1292 CG ASN A 103 14.492 -2.190 5.657 1.00 0.00 C ATOM 1293 OD1 ASN A 103 14.597 -1.330 6.527 1.00 0.00 O ATOM 1294 ND2 ASN A 103 13.567 -2.130 4.710 1.00 0.00 N ATOM 0 H ASN A 103 16.069 -6.022 6.554 1.00 0.00 H new ATOM 0 HA ASN A 103 16.034 -3.307 7.693 1.00 0.00 H new ATOM 0 HB2 ASN A 103 16.402 -3.075 5.254 1.00 0.00 H new ATOM 0 HB3 ASN A 103 15.041 -4.129 4.929 1.00 0.00 H new ATOM 0 HD21 ASN A 103 12.911 -1.350 4.687 1.00 0.00 H new ATOM 0 HD22 ASN A 103 13.511 -2.864 4.004 1.00 0.00 H new ATOM 1301 N ILE A 104 13.695 -3.677 8.455 1.00 0.00 N ATOM 1302 CA ILE A 104 12.337 -3.886 8.922 1.00 0.00 C ATOM 1303 C ILE A 104 11.529 -2.628 8.677 1.00 0.00 C ATOM 1304 O ILE A 104 11.976 -1.525 8.992 1.00 0.00 O ATOM 1305 CB ILE A 104 12.264 -4.222 10.430 1.00 0.00 C ATOM 1306 CG1 ILE A 104 12.510 -5.716 10.660 1.00 0.00 C ATOM 1307 CG2 ILE A 104 10.906 -3.804 10.998 1.00 0.00 C ATOM 1308 CD1 ILE A 104 13.800 -6.006 11.395 1.00 0.00 C ATOM 0 H ILE A 104 14.174 -2.888 8.888 1.00 0.00 H new ATOM 0 HA ILE A 104 11.938 -4.737 8.370 1.00 0.00 H new ATOM 0 HB ILE A 104 13.044 -3.666 10.950 1.00 0.00 H new ATOM 0 HG12 ILE A 104 11.676 -6.131 11.227 1.00 0.00 H new ATOM 0 HG13 ILE A 104 12.526 -6.226 9.697 1.00 0.00 H new ATOM 0 HG21 ILE A 104 10.866 -4.045 12.060 1.00 0.00 H new ATOM 0 HG22 ILE A 104 10.770 -2.731 10.864 1.00 0.00 H new ATOM 0 HG23 ILE A 104 10.113 -4.338 10.475 1.00 0.00 H new ATOM 0 HD11 ILE A 104 13.911 -7.083 11.524 1.00 0.00 H new ATOM 0 HD12 ILE A 104 14.641 -5.621 10.819 1.00 0.00 H new ATOM 0 HD13 ILE A 104 13.778 -5.524 12.372 1.00 0.00 H new ATOM 1320 N ASP A 105 10.358 -2.792 8.109 1.00 0.00 N ATOM 1321 CA ASP A 105 9.429 -1.695 7.991 1.00 0.00 C ATOM 1322 C ASP A 105 8.372 -1.808 9.070 1.00 0.00 C ATOM 1323 O ASP A 105 7.442 -2.610 8.962 1.00 0.00 O ATOM 1324 CB ASP A 105 8.772 -1.713 6.621 1.00 0.00 C ATOM 1325 CG ASP A 105 8.523 -0.323 6.081 1.00 0.00 C ATOM 1326 OD1 ASP A 105 7.601 0.358 6.573 1.00 0.00 O ATOM 1327 OD2 ASP A 105 9.260 0.107 5.172 1.00 0.00 O ATOM 0 H ASP A 105 10.026 -3.675 7.721 1.00 0.00 H new ATOM 0 HA ASP A 105 9.968 -0.755 8.110 1.00 0.00 H new ATOM 0 HB2 ASP A 105 9.406 -2.262 5.925 1.00 0.00 H new ATOM 0 HB3 ASP A 105 7.826 -2.251 6.682 1.00 0.00 H new ATOM 1332 N ASN A 106 8.532 -1.026 10.121 1.00 0.00 N ATOM 1333 CA ASN A 106 7.559 -0.996 11.197 1.00 0.00 C ATOM 1334 C ASN A 106 6.954 0.388 11.267 1.00 0.00 C ATOM 1335 O ASN A 106 7.565 1.314 11.802 1.00 0.00 O ATOM 1336 CB ASN A 106 8.222 -1.363 12.533 1.00 0.00 C ATOM 1337 CG ASN A 106 7.248 -1.354 13.701 1.00 0.00 C ATOM 1338 OD1 ASN A 106 6.812 -2.531 14.123 1.00 0.00 O flip ATOM 1339 ND2 ASN A 106 6.901 -0.300 14.232 1.00 0.00 N flip ATOM 0 H ASN A 106 9.328 -0.402 10.253 1.00 0.00 H new ATOM 0 HA ASN A 106 6.775 -1.728 11.002 1.00 0.00 H new ATOM 0 HB2 ASN A 106 8.672 -2.352 12.450 1.00 0.00 H new ATOM 0 HB3 ASN A 106 9.031 -0.661 12.736 1.00 0.00 H new ATOM 0 HD21 ASN A 106 7.257 0.589 13.881 1.00 0.00 H new ATOM 0 HD22 ASN A 106 6.258 -0.315 15.023 1.00 0.00 H new ATOM 1346 N LYS A 107 5.772 0.530 10.697 1.00 0.00 N ATOM 1347 CA LYS A 107 5.082 1.803 10.678 1.00 0.00 C ATOM 1348 C LYS A 107 3.588 1.584 10.512 1.00 0.00 C ATOM 1349 O LYS A 107 3.163 0.678 9.790 1.00 0.00 O ATOM 1350 CB LYS A 107 5.618 2.684 9.544 1.00 0.00 C ATOM 1351 CG LYS A 107 6.671 3.682 10.002 1.00 0.00 C ATOM 1352 CD LYS A 107 7.757 3.884 8.957 1.00 0.00 C ATOM 1353 CE LYS A 107 8.555 2.612 8.701 1.00 0.00 C ATOM 1354 NZ LYS A 107 8.985 2.516 7.281 1.00 0.00 N ATOM 0 H LYS A 107 5.268 -0.228 10.238 1.00 0.00 H new ATOM 0 HA LYS A 107 5.260 2.311 11.626 1.00 0.00 H new ATOM 0 HB2 LYS A 107 6.044 2.047 8.769 1.00 0.00 H new ATOM 0 HB3 LYS A 107 4.788 3.225 9.091 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.194 4.638 10.219 1.00 0.00 H new ATOM 0 HG3 LYS A 107 7.122 3.333 10.931 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.303 4.220 8.025 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.432 4.674 9.286 1.00 0.00 H new ATOM 0 HE2 LYS A 107 9.431 2.594 9.350 1.00 0.00 H new ATOM 0 HE3 LYS A 107 7.949 1.743 8.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 9.921 2.066 7.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 8.298 1.945 6.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 9.037 3.469 6.869 1.00 0.00 H new ATOM 1368 N PRO A 108 2.773 2.385 11.202 1.00 0.00 N ATOM 1369 CA PRO A 108 1.320 2.338 11.065 1.00 0.00 C ATOM 1370 C PRO A 108 0.870 2.830 9.690 1.00 0.00 C ATOM 1371 O PRO A 108 1.655 3.399 8.929 1.00 0.00 O ATOM 1372 CB PRO A 108 0.814 3.291 12.157 1.00 0.00 C ATOM 1373 CG PRO A 108 1.984 3.536 13.049 1.00 0.00 C ATOM 1374 CD PRO A 108 3.196 3.398 12.179 1.00 0.00 C ATOM 0 HA PRO A 108 0.934 1.323 11.163 1.00 0.00 H new ATOM 0 HB2 PRO A 108 0.448 4.223 11.725 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -0.015 2.849 12.710 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.934 4.529 13.496 1.00 0.00 H new ATOM 0 HG3 PRO A 108 2.008 2.818 13.869 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.460 4.340 11.698 1.00 0.00 H new ATOM 0 HD3 PRO A 108 4.068 3.075 12.747 1.00 0.00 H new ATOM 1382 N ALA A 109 -0.398 2.625 9.390 1.00 0.00 N ATOM 1383 CA ALA A 109 -0.982 3.078 8.138 1.00 0.00 C ATOM 1384 C ALA A 109 -1.125 4.594 8.141 1.00 0.00 C ATOM 1385 O ALA A 109 -1.196 5.236 7.095 1.00 0.00 O ATOM 1386 CB ALA A 109 -2.326 2.426 7.956 1.00 0.00 C ATOM 0 H ALA A 109 -1.053 2.141 10.004 1.00 0.00 H new ATOM 0 HA ALA A 109 -0.330 2.799 7.311 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -2.769 2.762 7.019 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -2.205 1.343 7.933 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -2.979 2.700 8.785 1.00 0.00 H new ATOM 1392 N LEU A 110 -1.156 5.157 9.340 1.00 0.00 N ATOM 1393 CA LEU A 110 -1.343 6.585 9.511 1.00 0.00 C ATOM 1394 C LEU A 110 -0.008 7.300 9.689 1.00 0.00 C ATOM 1395 O LEU A 110 0.508 7.409 10.802 1.00 0.00 O ATOM 1396 CB LEU A 110 -2.242 6.859 10.720 1.00 0.00 C ATOM 1397 CG LEU A 110 -3.460 7.744 10.440 1.00 0.00 C ATOM 1398 CD1 LEU A 110 -3.029 9.180 10.205 1.00 0.00 C ATOM 1399 CD2 LEU A 110 -4.242 7.220 9.247 1.00 0.00 C ATOM 0 H LEU A 110 -1.053 4.640 10.213 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.820 6.970 8.610 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -2.590 5.905 11.118 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.642 7.330 11.499 1.00 0.00 H new ATOM 0 HG LEU A 110 -4.112 7.717 11.313 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -3.907 9.796 10.007 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -2.514 9.555 11.090 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.356 9.222 9.349 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -5.103 7.863 9.065 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.601 7.215 8.366 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.584 6.206 9.453 1.00 0.00 H new