USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 659 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 Single : A 19 HIS : no HD1:sc= -0.268 K(o=-0.27,f=-1.7!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -32:sc= 0.46 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 23:sc= 0.932 USER MOD Single : A 62 HIS : no HD1:sc= -0.199 K(o=-0.2,f=-0.73) USER MOD Single : A 65 LYS NZ :NH3+ -121:sc= 0.0366 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.054 X(o=-0.054,f=-0.054) USER MOD Single : A 71 LYS NZ :NH3+ -163:sc= -2.97! (180deg=-3.96!) USER MOD Single : A 72 SER OG : rot -171:sc= 0.318 USER MOD Single : A 74 THR OG1 : rot 90:sc= -1.01 USER MOD Single : A 80 SER OG : rot 54:sc= 1.34 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 84 LYS NZ :NH3+ -112:sc= -2.44 (180deg=-3.83!) USER MOD Single : A 85 ASN : amide:sc= 0.099 K(o=0.099,f=-0.96) USER MOD Single : A 86 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0734) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0.00099 X(o=0.00099,f=0) USER MOD Single : A 96 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.19) USER MOD Single : A 98 MET CE :methyl -110:sc= -0.405 (180deg=-4.32!) USER MOD Single : A 100 HIS : no HD1:sc= -2.39 K(o=-2.4,f=-4.8!) USER MOD Single : A 105 HIS : no HD1:sc= -0.196 X(o=-0.2,f=-0.076) USER MOD Single : A 108 THR OG1 : rot -80:sc= 0.781 USER MOD Single : A 109 ASN : amide:sc= -0.303 K(o=-0.3,f=-1.3!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 224 N HIS A 19 -1.624 -1.012 10.727 1.00 0.00 N ATOM 225 CA HIS A 19 -2.551 -1.283 9.634 1.00 0.00 C ATOM 226 C HIS A 19 -2.941 -2.757 9.591 1.00 0.00 C ATOM 227 O HIS A 19 -3.339 -3.256 8.555 1.00 0.00 O ATOM 228 CB HIS A 19 -1.936 -0.873 8.288 1.00 0.00 C ATOM 229 CG HIS A 19 -1.718 0.601 8.143 1.00 0.00 C ATOM 230 ND1 HIS A 19 -0.617 1.266 8.636 1.00 0.00 N ATOM 231 CD2 HIS A 19 -2.485 1.543 7.537 1.00 0.00 C ATOM 232 CE1 HIS A 19 -0.748 2.562 8.322 1.00 0.00 C ATOM 233 NE2 HIS A 19 -1.864 2.782 7.654 1.00 0.00 N ATOM 0 HA HIS A 19 -3.449 -0.692 9.813 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -0.982 -1.385 8.165 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.587 -1.215 7.483 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.428 1.360 7.043 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.032 3.328 8.582 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -2.202 3.676 7.297 1.00 0.00 H new ATOM 240 N THR A 20 -2.789 -3.457 10.710 1.00 0.00 N ATOM 241 CA THR A 20 -3.117 -4.882 10.765 1.00 0.00 C ATOM 242 C THR A 20 -4.631 -5.131 10.694 1.00 0.00 C ATOM 243 O THR A 20 -5.383 -4.679 11.558 1.00 0.00 O ATOM 244 CB THR A 20 -2.569 -5.517 12.061 1.00 0.00 C ATOM 245 OG1 THR A 20 -1.175 -5.214 12.203 1.00 0.00 O ATOM 246 CG2 THR A 20 -2.753 -7.029 12.053 1.00 0.00 C ATOM 0 H THR A 20 -2.443 -3.067 11.587 1.00 0.00 H new ATOM 0 HA THR A 20 -2.649 -5.343 9.895 1.00 0.00 H new ATOM 0 HB THR A 20 -3.127 -5.101 12.900 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.835 -5.619 13.028 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.358 -7.449 12.978 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.814 -7.266 11.971 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.219 -7.456 11.204 1.00 0.00 H new ATOM 254 N LEU A 21 -5.059 -5.868 9.660 1.00 0.00 N ATOM 255 CA LEU A 21 -6.468 -6.214 9.463 1.00 0.00 C ATOM 256 C LEU A 21 -6.599 -7.287 8.378 1.00 0.00 C ATOM 257 O LEU A 21 -5.667 -7.500 7.605 1.00 0.00 O ATOM 258 CB LEU A 21 -7.291 -4.979 9.088 1.00 0.00 C ATOM 259 CG LEU A 21 -8.523 -4.727 9.965 1.00 0.00 C ATOM 260 CD1 LEU A 21 -8.583 -3.268 10.390 1.00 0.00 C ATOM 261 CD2 LEU A 21 -9.795 -5.118 9.226 1.00 0.00 C ATOM 0 H LEU A 21 -4.438 -6.239 8.940 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.857 -6.607 10.402 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.645 -4.103 9.136 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.616 -5.079 8.052 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.441 -5.345 10.859 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.463 -3.106 11.012 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.687 -3.017 10.957 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.642 -2.634 9.506 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.659 -4.932 9.865 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.883 -4.526 8.315 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.755 -6.176 8.969 1.00 0.00 H new ATOM 273 N LEU A 22 -7.743 -7.973 8.340 1.00 0.00 N ATOM 274 CA LEU A 22 -7.976 -9.040 7.358 1.00 0.00 C ATOM 275 C LEU A 22 -8.017 -8.535 5.904 1.00 0.00 C ATOM 276 O LEU A 22 -7.335 -9.080 5.038 1.00 0.00 O ATOM 277 CB LEU A 22 -9.285 -9.769 7.686 1.00 0.00 C ATOM 278 CG LEU A 22 -9.668 -10.900 6.726 1.00 0.00 C ATOM 279 CD1 LEU A 22 -8.616 -12.002 6.742 1.00 0.00 C ATOM 280 CD2 LEU A 22 -11.036 -11.462 7.082 1.00 0.00 C ATOM 0 H LEU A 22 -8.524 -7.811 8.976 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.128 -9.721 7.431 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.209 -10.180 8.693 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.094 -9.038 7.700 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.716 -10.489 5.717 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.909 -12.794 6.053 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.654 -11.591 6.435 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.532 -12.410 7.749 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.291 -12.264 6.390 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.015 -11.854 8.099 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.783 -10.672 7.013 1.00 0.00 H new ATOM 292 N PHE A 23 -8.815 -7.498 5.640 1.00 0.00 N ATOM 293 CA PHE A 23 -8.936 -6.957 4.279 1.00 0.00 C ATOM 294 C PHE A 23 -7.780 -6.019 3.950 1.00 0.00 C ATOM 295 O PHE A 23 -7.306 -5.957 2.814 1.00 0.00 O ATOM 296 CB PHE A 23 -10.268 -6.219 4.113 1.00 0.00 C ATOM 297 CG PHE A 23 -11.468 -7.124 4.146 1.00 0.00 C ATOM 298 CD1 PHE A 23 -12.158 -7.343 5.328 1.00 0.00 C ATOM 299 CD2 PHE A 23 -11.904 -7.758 2.992 1.00 0.00 C ATOM 300 CE1 PHE A 23 -13.260 -8.176 5.358 1.00 0.00 C ATOM 301 CE2 PHE A 23 -13.005 -8.591 3.018 1.00 0.00 C ATOM 302 CZ PHE A 23 -13.684 -8.799 4.201 1.00 0.00 C ATOM 0 H PHE A 23 -9.382 -7.019 6.340 1.00 0.00 H new ATOM 0 HA PHE A 23 -8.903 -7.797 3.585 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -10.363 -5.476 4.905 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -10.258 -5.678 3.167 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -11.831 -6.857 6.235 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -11.377 -7.598 2.063 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -13.789 -8.340 6.285 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -13.334 -9.079 2.113 1.00 0.00 H new ATOM 0 HZ PHE A 23 -14.547 -9.449 4.222 1.00 0.00 H new ATOM 312 N ASP A 24 -7.348 -5.286 4.959 1.00 0.00 N ATOM 313 CA ASP A 24 -6.245 -4.347 4.832 1.00 0.00 C ATOM 314 C ASP A 24 -5.064 -4.837 5.643 1.00 0.00 C ATOM 315 O ASP A 24 -4.785 -4.306 6.706 1.00 0.00 O ATOM 316 CB ASP A 24 -6.622 -2.912 5.244 1.00 0.00 C ATOM 317 CG ASP A 24 -7.479 -2.828 6.494 1.00 0.00 C ATOM 318 OD1 ASP A 24 -8.554 -3.468 6.529 1.00 0.00 O ATOM 319 OD2 ASP A 24 -7.078 -2.117 7.439 1.00 0.00 O ATOM 0 H ASP A 24 -7.753 -5.324 5.894 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.980 -4.303 3.776 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.708 -2.340 5.405 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.154 -2.437 4.420 1.00 0.00 H new ATOM 324 N LEU A 25 -4.439 -5.913 5.162 1.00 0.00 N ATOM 325 CA LEU A 25 -3.281 -6.529 5.820 1.00 0.00 C ATOM 326 C LEU A 25 -2.251 -5.471 6.247 1.00 0.00 C ATOM 327 O LEU A 25 -2.222 -4.375 5.683 1.00 0.00 O ATOM 328 CB LEU A 25 -2.628 -7.537 4.863 1.00 0.00 C ATOM 329 CG LEU A 25 -3.521 -8.712 4.454 1.00 0.00 C ATOM 330 CD1 LEU A 25 -2.856 -9.543 3.367 1.00 0.00 C ATOM 331 CD2 LEU A 25 -3.856 -9.579 5.660 1.00 0.00 C ATOM 0 H LEU A 25 -4.721 -6.385 4.303 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.627 -7.040 6.718 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.313 -7.009 3.963 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.727 -7.931 5.334 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.451 -8.307 4.054 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.508 -10.372 3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.674 -8.919 2.492 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.908 -9.934 3.737 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.491 -10.408 5.347 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.936 -9.971 6.093 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.381 -8.980 6.404 1.00 0.00 H new ATOM 343 N PRO A 26 -1.408 -5.798 7.264 1.00 0.00 N ATOM 344 CA PRO A 26 -0.369 -4.905 7.823 1.00 0.00 C ATOM 345 C PRO A 26 0.365 -4.044 6.784 1.00 0.00 C ATOM 346 O PRO A 26 0.319 -4.322 5.582 1.00 0.00 O ATOM 347 CB PRO A 26 0.619 -5.883 8.489 1.00 0.00 C ATOM 348 CG PRO A 26 0.039 -7.258 8.332 1.00 0.00 C ATOM 349 CD PRO A 26 -1.408 -7.080 7.973 1.00 0.00 C ATOM 0 HA PRO A 26 -0.819 -4.174 8.495 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.600 -5.821 8.019 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.754 -5.638 9.543 1.00 0.00 H new ATOM 0 HG2 PRO A 26 0.565 -7.813 7.555 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.141 -7.828 9.255 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.772 -7.891 7.343 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -2.044 -7.054 8.857 1.00 0.00 H new ATOM 357 N PRO A 27 1.103 -3.001 7.255 1.00 0.00 N ATOM 358 CA PRO A 27 1.845 -2.061 6.396 1.00 0.00 C ATOM 359 C PRO A 27 2.730 -2.714 5.341 1.00 0.00 C ATOM 360 O PRO A 27 3.251 -2.030 4.479 1.00 0.00 O ATOM 361 CB PRO A 27 2.720 -1.287 7.372 1.00 0.00 C ATOM 362 CG PRO A 27 1.956 -1.302 8.636 1.00 0.00 C ATOM 363 CD PRO A 27 1.248 -2.633 8.677 1.00 0.00 C ATOM 0 HA PRO A 27 1.141 -1.459 5.822 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.696 -1.758 7.491 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.897 -0.269 7.026 1.00 0.00 H new ATOM 0 HG2 PRO A 27 2.618 -1.186 9.494 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.242 -0.479 8.670 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.826 -3.377 9.225 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.279 -2.555 9.171 1.00 0.00 H new ATOM 371 N ALA A 28 2.900 -4.025 5.413 1.00 0.00 N ATOM 372 CA ALA A 28 3.721 -4.740 4.453 1.00 0.00 C ATOM 373 C ALA A 28 3.260 -4.451 3.026 1.00 0.00 C ATOM 374 O ALA A 28 4.080 -4.371 2.111 1.00 0.00 O ATOM 375 CB ALA A 28 3.664 -6.235 4.738 1.00 0.00 C ATOM 0 H ALA A 28 2.478 -4.616 6.130 1.00 0.00 H new ATOM 0 HA ALA A 28 4.752 -4.399 4.551 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.282 -6.767 4.015 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.036 -6.428 5.744 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.634 -6.581 4.659 1.00 0.00 H new ATOM 381 N LEU A 29 1.948 -4.302 2.826 1.00 0.00 N ATOM 382 CA LEU A 29 1.436 -4.006 1.494 1.00 0.00 C ATOM 383 C LEU A 29 0.912 -2.568 1.357 1.00 0.00 C ATOM 384 O LEU A 29 1.610 -1.703 0.837 1.00 0.00 O ATOM 385 CB LEU A 29 0.341 -4.998 1.111 1.00 0.00 C ATOM 386 CG LEU A 29 0.376 -5.437 -0.349 1.00 0.00 C ATOM 387 CD1 LEU A 29 1.738 -6.027 -0.686 1.00 0.00 C ATOM 388 CD2 LEU A 29 -0.728 -6.441 -0.633 1.00 0.00 C ATOM 0 H LEU A 29 1.238 -4.380 3.554 1.00 0.00 H new ATOM 0 HA LEU A 29 2.279 -4.105 0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.427 -5.880 1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.630 -4.549 1.320 1.00 0.00 H new ATOM 0 HG LEU A 29 0.209 -4.564 -0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.752 -6.337 -1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.511 -5.276 -0.520 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.928 -6.891 -0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.686 -6.742 -1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.595 -7.317 0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.696 -5.986 -0.425 1.00 0.00 H new ATOM 400 N LEU A 30 -0.302 -2.312 1.852 1.00 0.00 N ATOM 401 CA LEU A 30 -0.930 -0.986 1.736 1.00 0.00 C ATOM 402 C LEU A 30 -0.131 0.116 2.438 1.00 0.00 C ATOM 403 O LEU A 30 0.123 1.161 1.843 1.00 0.00 O ATOM 404 CB LEU A 30 -2.353 -1.025 2.317 1.00 0.00 C ATOM 405 CG LEU A 30 -3.132 0.294 2.245 1.00 0.00 C ATOM 406 CD1 LEU A 30 -3.364 0.712 0.802 1.00 0.00 C ATOM 407 CD2 LEU A 30 -4.456 0.174 2.986 1.00 0.00 C ATOM 0 H LEU A 30 -0.873 -3.004 2.338 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.957 -0.746 0.673 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.921 -1.791 1.790 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.292 -1.334 3.360 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.534 1.066 2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.918 1.650 0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.404 0.846 0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.936 -0.060 0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.995 1.120 2.924 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.056 -0.616 2.534 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.267 -0.068 4.032 1.00 0.00 H new ATOM 419 N GLY A 31 0.280 -0.125 3.680 1.00 0.00 N ATOM 420 CA GLY A 31 1.007 0.892 4.434 1.00 0.00 C ATOM 421 C GLY A 31 2.323 1.324 3.803 1.00 0.00 C ATOM 422 O GLY A 31 2.558 2.518 3.602 1.00 0.00 O ATOM 0 H GLY A 31 0.126 -1.001 4.179 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.368 1.768 4.548 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.207 0.511 5.435 1.00 0.00 H new ATOM 426 N GLU A 32 3.165 0.357 3.470 1.00 0.00 N ATOM 427 CA GLU A 32 4.474 0.629 2.884 1.00 0.00 C ATOM 428 C GLU A 32 4.382 1.152 1.453 1.00 0.00 C ATOM 429 O GLU A 32 5.086 2.096 1.091 1.00 0.00 O ATOM 430 CB GLU A 32 5.320 -0.647 2.936 1.00 0.00 C ATOM 431 CG GLU A 32 6.750 -0.487 2.433 1.00 0.00 C ATOM 432 CD GLU A 32 7.624 0.321 3.373 1.00 0.00 C ATOM 433 OE1 GLU A 32 7.120 0.767 4.425 1.00 0.00 O ATOM 434 OE2 GLU A 32 8.820 0.487 3.067 1.00 0.00 O ATOM 0 H GLU A 32 2.964 -0.635 3.597 1.00 0.00 H new ATOM 0 HA GLU A 32 4.946 1.418 3.470 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.350 -1.005 3.965 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.826 -1.418 2.345 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.192 -1.473 2.293 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.733 -0.004 1.456 1.00 0.00 H new ATOM 441 N LEU A 33 3.518 0.546 0.637 1.00 0.00 N ATOM 442 CA LEU A 33 3.380 0.961 -0.756 1.00 0.00 C ATOM 443 C LEU A 33 2.797 2.368 -0.881 1.00 0.00 C ATOM 444 O LEU A 33 3.225 3.141 -1.735 1.00 0.00 O ATOM 445 CB LEU A 33 2.545 -0.042 -1.566 1.00 0.00 C ATOM 446 CG LEU A 33 3.195 -1.417 -1.758 1.00 0.00 C ATOM 447 CD1 LEU A 33 2.224 -2.379 -2.427 1.00 0.00 C ATOM 448 CD2 LEU A 33 4.474 -1.298 -2.570 1.00 0.00 C ATOM 0 H LEU A 33 2.910 -0.225 0.914 1.00 0.00 H new ATOM 0 HA LEU A 33 4.386 0.981 -1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.584 -0.177 -1.070 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.340 0.387 -2.547 1.00 0.00 H new ATOM 0 HG LEU A 33 3.450 -1.814 -0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.703 -3.350 -2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.337 -2.492 -1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.936 -1.986 -3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.919 -2.285 -2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.246 -0.877 -3.549 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.176 -0.646 -2.050 1.00 0.00 H new ATOM 460 N CYS A 34 1.822 2.709 -0.038 1.00 0.00 N ATOM 461 CA CYS A 34 1.212 4.036 -0.105 1.00 0.00 C ATOM 462 C CYS A 34 2.162 5.122 0.404 1.00 0.00 C ATOM 463 O CYS A 34 2.107 6.265 -0.050 1.00 0.00 O ATOM 464 CB CYS A 34 -0.102 4.088 0.686 1.00 0.00 C ATOM 465 SG CYS A 34 0.102 4.095 2.485 1.00 0.00 S ATOM 0 H CYS A 34 1.444 2.098 0.686 1.00 0.00 H new ATOM 0 HA CYS A 34 0.998 4.229 -1.156 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.653 4.982 0.392 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.714 3.230 0.406 1.00 0.00 H new ATOM 0 HG CYS A 34 1.155 3.404 2.805 1.00 0.00 H new ATOM 471 N ALA A 35 3.035 4.764 1.348 1.00 0.00 N ATOM 472 CA ALA A 35 3.972 5.729 1.919 1.00 0.00 C ATOM 473 C ALA A 35 5.252 5.888 1.098 1.00 0.00 C ATOM 474 O ALA A 35 5.590 6.994 0.674 1.00 0.00 O ATOM 475 CB ALA A 35 4.319 5.333 3.348 1.00 0.00 C ATOM 0 H ALA A 35 3.111 3.821 1.729 1.00 0.00 H new ATOM 0 HA ALA A 35 3.470 6.696 1.906 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.018 6.057 3.767 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.411 5.314 3.951 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.777 4.344 3.350 1.00 0.00 H new ATOM 481 N VAL A 36 5.961 4.782 0.875 1.00 0.00 N ATOM 482 CA VAL A 36 7.228 4.810 0.139 1.00 0.00 C ATOM 483 C VAL A 36 7.072 5.244 -1.325 1.00 0.00 C ATOM 484 O VAL A 36 7.849 6.067 -1.811 1.00 0.00 O ATOM 485 CB VAL A 36 7.963 3.451 0.233 1.00 0.00 C ATOM 486 CG1 VAL A 36 9.150 3.395 -0.723 1.00 0.00 C ATOM 487 CG2 VAL A 36 8.432 3.225 1.660 1.00 0.00 C ATOM 0 H VAL A 36 5.681 3.854 1.193 1.00 0.00 H new ATOM 0 HA VAL A 36 7.838 5.572 0.624 1.00 0.00 H new ATOM 0 HB VAL A 36 7.266 2.663 -0.054 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.645 2.428 -0.633 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.800 3.529 -1.746 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.855 4.188 -0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 36 8.949 2.268 1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.112 4.026 1.951 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.572 3.219 2.329 1.00 0.00 H new ATOM 497 N LEU A 37 6.069 4.716 -2.024 1.00 0.00 N ATOM 498 CA LEU A 37 5.869 5.075 -3.430 1.00 0.00 C ATOM 499 C LEU A 37 5.340 6.501 -3.570 1.00 0.00 C ATOM 500 O LEU A 37 5.416 7.093 -4.643 1.00 0.00 O ATOM 501 CB LEU A 37 4.927 4.102 -4.137 1.00 0.00 C ATOM 502 CG LEU A 37 5.401 2.654 -4.200 1.00 0.00 C ATOM 503 CD1 LEU A 37 4.354 1.789 -4.873 1.00 0.00 C ATOM 504 CD2 LEU A 37 6.721 2.562 -4.944 1.00 0.00 C ATOM 0 H LEU A 37 5.393 4.050 -1.650 1.00 0.00 H new ATOM 0 HA LEU A 37 6.846 5.014 -3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.961 4.128 -3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.764 4.457 -5.155 1.00 0.00 H new ATOM 0 HG LEU A 37 5.551 2.292 -3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.704 0.758 -4.912 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.424 1.835 -4.306 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.179 2.151 -5.886 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.046 1.522 -4.981 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.594 2.938 -5.959 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.472 3.159 -4.427 1.00 0.00 H new ATOM 516 N ASP A 38 4.780 7.042 -2.494 1.00 0.00 N ATOM 517 CA ASP A 38 4.256 8.404 -2.509 1.00 0.00 C ATOM 518 C ASP A 38 5.359 9.404 -2.845 1.00 0.00 C ATOM 519 O ASP A 38 5.138 10.372 -3.569 1.00 0.00 O ATOM 520 CB ASP A 38 3.621 8.755 -1.160 1.00 0.00 C ATOM 521 CG ASP A 38 3.123 10.185 -1.096 1.00 0.00 C ATOM 522 OD1 ASP A 38 1.961 10.427 -1.479 1.00 0.00 O ATOM 523 OD2 ASP A 38 3.896 11.066 -0.663 1.00 0.00 O ATOM 0 H ASP A 38 4.677 6.560 -1.601 1.00 0.00 H new ATOM 0 HA ASP A 38 3.488 8.460 -3.281 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.789 8.077 -0.969 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.352 8.594 -0.367 1.00 0.00 H new ATOM 528 N SER A 39 6.549 9.155 -2.309 1.00 0.00 N ATOM 529 CA SER A 39 7.697 10.027 -2.543 1.00 0.00 C ATOM 530 C SER A 39 8.464 9.599 -3.796 1.00 0.00 C ATOM 531 O SER A 39 9.537 10.131 -4.088 1.00 0.00 O ATOM 532 CB SER A 39 8.629 10.008 -1.331 1.00 0.00 C ATOM 533 OG SER A 39 7.963 10.479 -0.168 1.00 0.00 O ATOM 0 H SER A 39 6.745 8.355 -1.708 1.00 0.00 H new ATOM 0 HA SER A 39 7.327 11.041 -2.696 1.00 0.00 H new ATOM 0 HB2 SER A 39 8.990 8.994 -1.162 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.503 10.628 -1.530 1.00 0.00 H new ATOM 0 HG SER A 39 8.579 10.456 0.594 1.00 0.00 H new ATOM 539 N CYS A 40 7.914 8.627 -4.521 1.00 0.00 N ATOM 540 CA CYS A 40 8.538 8.118 -5.739 1.00 0.00 C ATOM 541 C CYS A 40 8.579 9.180 -6.833 1.00 0.00 C ATOM 542 O CYS A 40 7.638 9.951 -7.009 1.00 0.00 O ATOM 543 CB CYS A 40 7.798 6.883 -6.243 1.00 0.00 C ATOM 544 SG CYS A 40 8.540 6.126 -7.701 1.00 0.00 S ATOM 0 H CYS A 40 7.032 8.174 -4.283 1.00 0.00 H new ATOM 0 HA CYS A 40 9.564 7.845 -5.492 1.00 0.00 H new ATOM 0 HB2 CYS A 40 7.759 6.144 -5.443 1.00 0.00 H new ATOM 0 HB3 CYS A 40 6.769 7.158 -6.473 1.00 0.00 H new ATOM 0 HG CYS A 40 9.795 6.457 -7.771 1.00 0.00 H new ATOM 550 N ASP A 41 9.680 9.198 -7.572 1.00 0.00 N ATOM 551 CA ASP A 41 9.870 10.163 -8.649 1.00 0.00 C ATOM 552 C ASP A 41 10.364 9.459 -9.907 1.00 0.00 C ATOM 553 O ASP A 41 11.362 9.854 -10.508 1.00 0.00 O ATOM 554 CB ASP A 41 10.865 11.250 -8.227 1.00 0.00 C ATOM 555 CG ASP A 41 10.727 12.512 -9.057 1.00 0.00 C ATOM 556 OD1 ASP A 41 9.669 12.694 -9.695 1.00 0.00 O ATOM 557 OD2 ASP A 41 11.679 13.321 -9.064 1.00 0.00 O ATOM 0 H ASP A 41 10.459 8.552 -7.445 1.00 0.00 H new ATOM 0 HA ASP A 41 8.911 10.635 -8.863 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.711 11.491 -7.175 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.881 10.866 -8.321 1.00 0.00 H new ATOM 562 N GLY A 42 9.661 8.397 -10.290 1.00 0.00 N ATOM 563 CA GLY A 42 10.024 7.645 -11.479 1.00 0.00 C ATOM 564 C GLY A 42 10.940 6.466 -11.194 1.00 0.00 C ATOM 565 O GLY A 42 11.152 5.628 -12.069 1.00 0.00 O ATOM 0 H GLY A 42 8.842 8.042 -9.796 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.116 7.282 -11.961 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.515 8.314 -12.186 1.00 0.00 H new ATOM 569 N ALA A 43 11.487 6.397 -9.979 1.00 0.00 N ATOM 570 CA ALA A 43 12.376 5.295 -9.601 1.00 0.00 C ATOM 571 C ALA A 43 11.635 3.959 -9.624 1.00 0.00 C ATOM 572 O ALA A 43 12.159 2.952 -10.098 1.00 0.00 O ATOM 573 CB ALA A 43 12.971 5.545 -8.223 1.00 0.00 C ATOM 0 H ALA A 43 11.332 7.086 -9.243 1.00 0.00 H new ATOM 0 HA ALA A 43 13.184 5.247 -10.331 1.00 0.00 H new ATOM 0 HB1 ALA A 43 13.629 4.718 -7.955 1.00 0.00 H new ATOM 0 HB2 ALA A 43 13.542 6.474 -8.236 1.00 0.00 H new ATOM 0 HB3 ALA A 43 12.169 5.622 -7.489 1.00 0.00 H new ATOM 579 N LEU A 44 10.414 3.966 -9.101 1.00 0.00 N ATOM 580 CA LEU A 44 9.571 2.775 -9.082 1.00 0.00 C ATOM 581 C LEU A 44 8.285 3.038 -9.852 1.00 0.00 C ATOM 582 O LEU A 44 7.639 2.117 -10.345 1.00 0.00 O ATOM 583 CB LEU A 44 9.248 2.361 -7.636 1.00 0.00 C ATOM 584 CG LEU A 44 10.457 1.878 -6.823 1.00 0.00 C ATOM 585 CD1 LEU A 44 10.099 1.735 -5.354 1.00 0.00 C ATOM 586 CD2 LEU A 44 10.973 0.556 -7.373 1.00 0.00 C ATOM 0 H LEU A 44 9.983 4.790 -8.681 1.00 0.00 H new ATOM 0 HA LEU A 44 10.112 1.958 -9.560 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.797 3.209 -7.122 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.501 1.567 -7.658 1.00 0.00 H new ATOM 0 HG LEU A 44 11.246 2.625 -6.911 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.972 1.392 -4.799 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.776 2.700 -4.963 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.292 1.011 -5.245 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.830 0.227 -6.785 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.185 -0.194 -7.316 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.274 0.687 -8.412 1.00 0.00 H new ATOM 598 N GLY A 45 7.938 4.320 -9.957 1.00 0.00 N ATOM 599 CA GLY A 45 6.734 4.724 -10.649 1.00 0.00 C ATOM 600 C GLY A 45 5.491 4.521 -9.806 1.00 0.00 C ATOM 601 O GLY A 45 5.123 3.385 -9.518 1.00 0.00 O ATOM 0 H GLY A 45 8.480 5.091 -9.568 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.813 5.775 -10.928 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.640 4.154 -11.574 1.00 0.00 H new ATOM 605 N TRP A 46 4.850 5.618 -9.386 1.00 0.00 N ATOM 606 CA TRP A 46 3.621 5.510 -8.592 1.00 0.00 C ATOM 607 C TRP A 46 2.585 4.638 -9.306 1.00 0.00 C ATOM 608 O TRP A 46 1.947 3.786 -8.685 1.00 0.00 O ATOM 609 CB TRP A 46 3.038 6.897 -8.269 1.00 0.00 C ATOM 610 CG TRP A 46 2.995 7.856 -9.425 1.00 0.00 C ATOM 611 CD1 TRP A 46 1.975 8.026 -10.313 1.00 0.00 C ATOM 612 CD2 TRP A 46 4.012 8.792 -9.800 1.00 0.00 C ATOM 613 NE1 TRP A 46 2.297 9.004 -11.221 1.00 0.00 N ATOM 614 CE2 TRP A 46 3.543 9.490 -10.928 1.00 0.00 C ATOM 615 CE3 TRP A 46 5.277 9.108 -9.294 1.00 0.00 C ATOM 616 CZ2 TRP A 46 4.291 10.482 -11.558 1.00 0.00 C ATOM 617 CZ3 TRP A 46 6.018 10.093 -9.919 1.00 0.00 C ATOM 618 CH2 TRP A 46 5.523 10.770 -11.041 1.00 0.00 C ATOM 0 H TRP A 46 5.154 6.573 -9.578 1.00 0.00 H new ATOM 0 HA TRP A 46 3.879 5.030 -7.648 1.00 0.00 H new ATOM 0 HB2 TRP A 46 2.026 6.768 -7.886 1.00 0.00 H new ATOM 0 HB3 TRP A 46 3.627 7.344 -7.468 1.00 0.00 H new ATOM 0 HD1 TRP A 46 1.048 7.472 -10.304 1.00 0.00 H new ATOM 0 HE1 TRP A 46 1.704 9.318 -11.989 1.00 0.00 H new ATOM 0 HE3 TRP A 46 5.668 8.591 -8.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 3.911 11.005 -12.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 6.996 10.345 -9.536 1.00 0.00 H new ATOM 0 HH2 TRP A 46 6.127 11.535 -11.507 1.00 0.00 H new ATOM 629 N ARG A 47 2.420 4.856 -10.608 1.00 0.00 N ATOM 630 CA ARG A 47 1.489 4.065 -11.412 1.00 0.00 C ATOM 631 C ARG A 47 2.125 2.768 -11.902 1.00 0.00 C ATOM 632 O ARG A 47 1.474 1.999 -12.590 1.00 0.00 O ATOM 633 CB ARG A 47 0.964 4.838 -12.631 1.00 0.00 C ATOM 634 CG ARG A 47 1.863 5.967 -13.113 1.00 0.00 C ATOM 635 CD ARG A 47 3.091 5.447 -13.849 1.00 0.00 C ATOM 636 NE ARG A 47 2.775 5.020 -15.212 1.00 0.00 N ATOM 637 CZ ARG A 47 2.716 5.849 -16.255 1.00 0.00 C ATOM 638 NH1 ARG A 47 2.416 5.384 -17.459 1.00 0.00 N ATOM 639 NH2 ARG A 47 2.961 7.143 -16.090 1.00 0.00 N ATOM 0 H ARG A 47 2.920 5.575 -11.131 1.00 0.00 H new ATOM 0 HA ARG A 47 0.654 3.838 -10.749 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.816 4.136 -13.452 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.014 5.252 -12.386 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.297 6.624 -13.773 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.179 6.567 -12.260 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.851 6.227 -13.881 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.517 4.609 -13.297 1.00 0.00 H new ATOM 0 HE ARG A 47 2.589 4.030 -15.374 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.229 4.390 -17.590 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.372 6.020 -18.255 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.195 7.504 -15.165 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.916 7.776 -16.888 1.00 0.00 H new ATOM 653 N GLY A 48 3.387 2.527 -11.557 1.00 0.00 N ATOM 654 CA GLY A 48 4.066 1.332 -12.040 1.00 0.00 C ATOM 655 C GLY A 48 3.378 0.043 -11.637 1.00 0.00 C ATOM 656 O GLY A 48 3.203 -0.852 -12.465 1.00 0.00 O ATOM 0 H GLY A 48 3.949 3.131 -10.957 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.132 1.375 -13.127 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.087 1.324 -11.659 1.00 0.00 H new ATOM 660 N LEU A 49 2.980 -0.054 -10.378 1.00 0.00 N ATOM 661 CA LEU A 49 2.300 -1.248 -9.896 1.00 0.00 C ATOM 662 C LEU A 49 0.877 -1.341 -10.461 1.00 0.00 C ATOM 663 O LEU A 49 0.434 -2.414 -10.873 1.00 0.00 O ATOM 664 CB LEU A 49 2.258 -1.248 -8.362 1.00 0.00 C ATOM 665 CG LEU A 49 3.624 -1.240 -7.662 1.00 0.00 C ATOM 666 CD1 LEU A 49 3.441 -1.241 -6.155 1.00 0.00 C ATOM 667 CD2 LEU A 49 4.466 -2.431 -8.091 1.00 0.00 C ATOM 0 H LEU A 49 3.114 0.673 -9.675 1.00 0.00 H new ATOM 0 HA LEU A 49 2.859 -2.118 -10.240 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.695 -0.375 -8.032 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.705 -2.127 -8.031 1.00 0.00 H new ATOM 0 HG LEU A 49 4.150 -0.331 -7.955 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.417 -1.235 -5.670 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.882 -0.354 -5.856 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.892 -2.134 -5.856 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.428 -2.400 -7.580 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.948 -3.355 -7.833 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.627 -2.394 -9.168 1.00 0.00 H new ATOM 679 N ALA A 50 0.167 -0.207 -10.476 1.00 0.00 N ATOM 680 CA ALA A 50 -1.206 -0.159 -10.993 1.00 0.00 C ATOM 681 C ALA A 50 -1.282 -0.448 -12.488 1.00 0.00 C ATOM 682 O ALA A 50 -2.148 -1.196 -12.942 1.00 0.00 O ATOM 683 CB ALA A 50 -1.828 1.196 -10.710 1.00 0.00 C ATOM 0 H ALA A 50 0.519 0.688 -10.137 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.761 -0.942 -10.477 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.846 1.217 -11.099 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.847 1.370 -9.634 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.239 1.975 -11.193 1.00 0.00 H new ATOM 689 N GLU A 51 -0.356 0.143 -13.241 1.00 0.00 N ATOM 690 CA GLU A 51 -0.303 -0.007 -14.691 1.00 0.00 C ATOM 691 C GLU A 51 -0.064 -1.461 -15.073 1.00 0.00 C ATOM 692 O GLU A 51 -0.642 -1.966 -16.037 1.00 0.00 O ATOM 693 CB GLU A 51 0.808 0.876 -15.279 1.00 0.00 C ATOM 694 CG GLU A 51 0.888 0.830 -16.799 1.00 0.00 C ATOM 695 CD GLU A 51 2.036 1.651 -17.348 1.00 0.00 C ATOM 696 OE1 GLU A 51 3.202 1.260 -17.130 1.00 0.00 O ATOM 697 OE2 GLU A 51 1.771 2.686 -17.997 1.00 0.00 O ATOM 0 H GLU A 51 0.379 0.740 -12.861 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.263 0.309 -15.101 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.646 1.907 -14.964 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.766 0.563 -14.864 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.000 -0.205 -17.122 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.049 1.196 -17.219 1.00 0.00 H new ATOM 704 N ARG A 52 0.806 -2.120 -14.316 1.00 0.00 N ATOM 705 CA ARG A 52 1.137 -3.514 -14.561 1.00 0.00 C ATOM 706 C ARG A 52 -0.101 -4.395 -14.431 1.00 0.00 C ATOM 707 O ARG A 52 -0.327 -5.281 -15.258 1.00 0.00 O ATOM 708 CB ARG A 52 2.223 -3.975 -13.587 1.00 0.00 C ATOM 709 CG ARG A 52 3.369 -4.709 -14.258 1.00 0.00 C ATOM 710 CD ARG A 52 4.621 -3.849 -14.293 1.00 0.00 C ATOM 711 NE ARG A 52 4.471 -2.697 -15.183 1.00 0.00 N ATOM 712 CZ ARG A 52 4.806 -2.704 -16.471 1.00 0.00 C ATOM 713 NH1 ARG A 52 4.640 -1.610 -17.206 1.00 0.00 N ATOM 714 NH2 ARG A 52 5.302 -3.803 -17.029 1.00 0.00 N ATOM 0 H ARG A 52 1.296 -1.706 -13.523 1.00 0.00 H new ATOM 0 HA ARG A 52 1.514 -3.606 -15.580 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.618 -3.107 -13.059 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.774 -4.627 -12.838 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.575 -5.636 -13.722 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.084 -4.984 -15.273 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.850 -3.501 -13.286 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.467 -4.453 -14.622 1.00 0.00 H new ATOM 0 HE ARG A 52 4.086 -1.837 -14.793 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.256 -0.765 -16.783 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.897 -1.615 -18.193 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.428 -4.647 -16.470 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.557 -3.803 -18.017 1.00 0.00 H new ATOM 851 N ASP A 61 -5.726 8.715 -15.148 1.00 0.00 N ATOM 852 CA ASP A 61 -6.222 10.077 -14.944 1.00 0.00 C ATOM 853 C ASP A 61 -6.367 10.378 -13.453 1.00 0.00 C ATOM 854 O ASP A 61 -5.939 11.428 -12.974 1.00 0.00 O ATOM 855 CB ASP A 61 -7.565 10.265 -15.654 1.00 0.00 C ATOM 856 CG ASP A 61 -8.085 11.685 -15.555 1.00 0.00 C ATOM 857 OD1 ASP A 61 -7.415 12.600 -16.079 1.00 0.00 O ATOM 858 OD2 ASP A 61 -9.168 11.879 -14.965 1.00 0.00 O ATOM 0 HA ASP A 61 -5.499 10.774 -15.369 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.457 9.994 -16.704 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.298 9.583 -15.223 1.00 0.00 H new ATOM 863 N HIS A 62 -6.970 9.439 -12.726 1.00 0.00 N ATOM 864 CA HIS A 62 -7.172 9.581 -11.290 1.00 0.00 C ATOM 865 C HIS A 62 -5.860 9.389 -10.522 1.00 0.00 C ATOM 866 O HIS A 62 -5.697 9.925 -9.425 1.00 0.00 O ATOM 867 CB HIS A 62 -8.231 8.592 -10.797 1.00 0.00 C ATOM 868 CG HIS A 62 -8.983 9.075 -9.591 1.00 0.00 C ATOM 869 ND1 HIS A 62 -9.870 10.128 -9.614 1.00 0.00 N ATOM 870 CD2 HIS A 62 -8.968 8.627 -8.311 1.00 0.00 C ATOM 871 CE1 HIS A 62 -10.354 10.285 -8.375 1.00 0.00 C ATOM 872 NE2 HIS A 62 -9.838 9.398 -7.546 1.00 0.00 N ATOM 0 H HIS A 62 -7.329 8.566 -13.114 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.525 10.595 -11.101 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -8.938 8.397 -11.603 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -7.749 7.644 -10.560 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -8.375 7.803 -7.944 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -11.073 11.039 -8.092 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -10.036 9.298 -6.550 1.00 0.00 H new ATOM 879 N ILE A 63 -4.924 8.635 -11.112 1.00 0.00 N ATOM 880 CA ILE A 63 -3.622 8.379 -10.484 1.00 0.00 C ATOM 881 C ILE A 63 -2.874 9.689 -10.226 1.00 0.00 C ATOM 882 O ILE A 63 -2.261 9.875 -9.172 1.00 0.00 O ATOM 883 CB ILE A 63 -2.740 7.436 -11.343 1.00 0.00 C ATOM 884 CG1 ILE A 63 -3.313 6.018 -11.333 1.00 0.00 C ATOM 885 CG2 ILE A 63 -1.302 7.427 -10.848 1.00 0.00 C ATOM 886 CD1 ILE A 63 -2.649 5.083 -12.322 1.00 0.00 C ATOM 0 H ILE A 63 -5.044 8.192 -12.023 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.822 7.885 -9.533 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.742 7.811 -12.366 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.212 5.602 -10.330 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.380 6.066 -11.552 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.708 6.757 -11.469 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.891 8.435 -10.905 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.275 7.082 -9.814 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.109 4.097 -12.256 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.772 5.474 -13.332 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.587 5.004 -12.091 1.00 0.00 H new ATOM 898 N GLU A 64 -2.919 10.590 -11.192 1.00 0.00 N ATOM 899 CA GLU A 64 -2.257 11.882 -11.057 1.00 0.00 C ATOM 900 C GLU A 64 -2.965 12.757 -10.015 1.00 0.00 C ATOM 901 O GLU A 64 -2.352 13.627 -9.400 1.00 0.00 O ATOM 902 CB GLU A 64 -2.233 12.604 -12.407 1.00 0.00 C ATOM 903 CG GLU A 64 -1.382 11.914 -13.466 1.00 0.00 C ATOM 904 CD GLU A 64 0.098 11.918 -13.133 1.00 0.00 C ATOM 905 OE1 GLU A 64 0.786 12.892 -13.502 1.00 0.00 O ATOM 906 OE2 GLU A 64 0.567 10.946 -12.503 1.00 0.00 O ATOM 0 H GLU A 64 -3.405 10.454 -12.078 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.235 11.705 -10.722 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.254 12.693 -12.778 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.859 13.617 -12.259 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.720 10.884 -13.581 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.534 12.409 -14.425 1.00 0.00 H new ATOM 913 N LYS A 65 -4.265 12.525 -9.838 1.00 0.00 N ATOM 914 CA LYS A 65 -5.079 13.309 -8.906 1.00 0.00 C ATOM 915 C LYS A 65 -4.767 13.052 -7.421 1.00 0.00 C ATOM 916 O LYS A 65 -4.562 14.001 -6.663 1.00 0.00 O ATOM 917 CB LYS A 65 -6.558 13.020 -9.178 1.00 0.00 C ATOM 918 CG LYS A 65 -7.035 13.536 -10.527 1.00 0.00 C ATOM 919 CD LYS A 65 -8.491 13.181 -10.784 1.00 0.00 C ATOM 920 CE LYS A 65 -8.960 13.714 -12.128 1.00 0.00 C ATOM 921 NZ LYS A 65 -10.377 13.357 -12.405 1.00 0.00 N ATOM 0 H LYS A 65 -4.781 11.796 -10.331 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.835 14.356 -9.084 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.726 11.944 -9.129 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.160 13.473 -8.390 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.912 14.618 -10.566 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.413 13.116 -11.318 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.614 12.098 -10.757 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.114 13.593 -9.990 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.849 14.798 -12.147 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.324 13.315 -12.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.430 12.802 -13.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.754 12.794 -11.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.940 14.225 -12.510 1.00 0.00 H new ATOM 935 N GLU A 66 -4.725 11.785 -6.990 1.00 0.00 N ATOM 936 CA GLU A 66 -4.462 11.486 -5.572 1.00 0.00 C ATOM 937 C GLU A 66 -2.974 11.331 -5.258 1.00 0.00 C ATOM 938 O GLU A 66 -2.619 11.118 -4.101 1.00 0.00 O ATOM 939 CB GLU A 66 -5.228 10.249 -5.069 1.00 0.00 C ATOM 940 CG GLU A 66 -6.584 10.048 -5.733 1.00 0.00 C ATOM 941 CD GLU A 66 -7.442 9.033 -5.005 1.00 0.00 C ATOM 942 OE1 GLU A 66 -8.195 9.438 -4.095 1.00 0.00 O ATOM 943 OE2 GLU A 66 -7.361 7.833 -5.342 1.00 0.00 O ATOM 0 H GLU A 66 -4.865 10.967 -7.583 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.832 12.360 -5.036 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.617 9.362 -5.238 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.372 10.336 -3.992 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.110 11.002 -5.773 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.436 9.722 -6.763 1.00 0.00 H new ATOM 950 N VAL A 67 -2.107 11.404 -6.268 1.00 0.00 N ATOM 951 CA VAL A 67 -0.666 11.256 -6.037 1.00 0.00 C ATOM 952 C VAL A 67 -0.161 12.265 -4.992 1.00 0.00 C ATOM 953 O VAL A 67 0.725 11.957 -4.197 1.00 0.00 O ATOM 954 CB VAL A 67 0.151 11.379 -7.351 1.00 0.00 C ATOM 955 CG1 VAL A 67 0.197 12.813 -7.859 1.00 0.00 C ATOM 956 CG2 VAL A 67 1.559 10.833 -7.162 1.00 0.00 C ATOM 0 H VAL A 67 -2.369 11.562 -7.241 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.512 10.250 -5.647 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.358 10.781 -8.107 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.778 12.854 -8.780 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.817 13.163 -8.054 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.662 13.451 -7.107 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.115 10.929 -8.095 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.066 11.396 -6.378 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.507 9.782 -6.877 1.00 0.00 H new ATOM 966 N ASP A 68 -0.750 13.462 -4.986 1.00 0.00 N ATOM 967 CA ASP A 68 -0.379 14.502 -4.024 1.00 0.00 C ATOM 968 C ASP A 68 -1.214 14.384 -2.750 1.00 0.00 C ATOM 969 O ASP A 68 -1.007 15.121 -1.788 1.00 0.00 O ATOM 970 CB ASP A 68 -0.561 15.898 -4.633 1.00 0.00 C ATOM 971 CG ASP A 68 0.473 16.218 -5.697 1.00 0.00 C ATOM 972 OD1 ASP A 68 1.487 15.494 -5.778 1.00 0.00 O ATOM 973 OD2 ASP A 68 0.266 17.193 -6.448 1.00 0.00 O ATOM 0 H ASP A 68 -1.486 13.736 -5.637 1.00 0.00 H new ATOM 0 HA ASP A 68 0.672 14.362 -3.772 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.558 15.972 -5.068 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.503 16.645 -3.841 1.00 0.00 H new ATOM 978 N GLN A 69 -2.162 13.451 -2.758 1.00 0.00 N ATOM 979 CA GLN A 69 -3.058 13.231 -1.625 1.00 0.00 C ATOM 980 C GLN A 69 -2.697 11.961 -0.854 1.00 0.00 C ATOM 981 O GLN A 69 -3.531 11.404 -0.142 1.00 0.00 O ATOM 982 CB GLN A 69 -4.510 13.146 -2.105 1.00 0.00 C ATOM 983 CG GLN A 69 -4.998 14.394 -2.826 1.00 0.00 C ATOM 984 CD GLN A 69 -4.950 15.633 -1.953 1.00 0.00 C ATOM 985 OE1 GLN A 69 -5.548 15.671 -0.878 1.00 0.00 O ATOM 986 NE2 GLN A 69 -4.241 16.655 -2.410 1.00 0.00 N ATOM 0 H GLN A 69 -2.331 12.827 -3.547 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.944 14.080 -0.951 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -4.612 12.290 -2.772 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -5.155 12.959 -1.247 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -4.388 14.557 -3.714 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -6.021 14.235 -3.167 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.760 16.582 -3.307 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.176 17.515 -1.865 1.00 0.00 H new ATOM 995 N GLY A 70 -1.454 11.508 -0.988 1.00 0.00 N ATOM 996 CA GLY A 70 -1.033 10.306 -0.288 1.00 0.00 C ATOM 997 C GLY A 70 -0.927 9.072 -1.169 1.00 0.00 C ATOM 998 O GLY A 70 -1.027 7.956 -0.659 1.00 0.00 O ATOM 0 H GLY A 70 -0.735 11.947 -1.564 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.064 10.491 0.176 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.739 10.103 0.518 1.00 0.00 H new ATOM 1002 N LYS A 71 -0.768 9.292 -2.491 1.00 0.00 N ATOM 1003 CA LYS A 71 -0.589 8.222 -3.498 1.00 0.00 C ATOM 1004 C LYS A 71 -1.908 7.811 -4.143 1.00 0.00 C ATOM 1005 O LYS A 71 -2.948 7.738 -3.492 1.00 0.00 O ATOM 1006 CB LYS A 71 0.121 6.981 -2.918 1.00 0.00 C ATOM 1007 CG LYS A 71 0.153 5.762 -3.845 1.00 0.00 C ATOM 1008 CD LYS A 71 0.906 6.036 -5.143 1.00 0.00 C ATOM 1009 CE LYS A 71 2.335 6.453 -4.889 1.00 0.00 C ATOM 1010 NZ LYS A 71 2.569 7.887 -5.216 1.00 0.00 N ATOM 0 H LYS A 71 -0.760 10.229 -2.895 1.00 0.00 H new ATOM 0 HA LYS A 71 0.052 8.650 -4.269 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.146 7.253 -2.664 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.374 6.699 -1.989 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.622 4.927 -3.326 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.868 5.459 -4.078 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.894 5.141 -5.765 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.393 6.819 -5.702 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.583 6.276 -3.843 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.004 5.832 -5.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.590 8.060 -5.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.097 8.120 -6.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.183 8.484 -4.457 1.00 0.00 H new ATOM 1024 N SER A 72 -1.850 7.572 -5.445 1.00 0.00 N ATOM 1025 CA SER A 72 -3.004 7.134 -6.210 1.00 0.00 C ATOM 1026 C SER A 72 -2.643 5.942 -7.082 1.00 0.00 C ATOM 1027 O SER A 72 -3.505 5.159 -7.448 1.00 0.00 O ATOM 1028 CB SER A 72 -3.510 8.258 -7.088 1.00 0.00 C ATOM 1029 OG SER A 72 -4.864 8.050 -7.451 1.00 0.00 O ATOM 0 H SER A 72 -1.000 7.677 -5.999 1.00 0.00 H new ATOM 0 HA SER A 72 -3.785 6.843 -5.508 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.413 9.207 -6.561 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.896 8.327 -7.986 1.00 0.00 H new ATOM 0 HG SER A 72 -5.126 8.707 -8.129 1.00 0.00 H new ATOM 1035 N GLY A 73 -1.372 5.821 -7.438 1.00 0.00 N ATOM 1036 CA GLY A 73 -0.954 4.708 -8.261 1.00 0.00 C ATOM 1037 C GLY A 73 -1.297 3.375 -7.633 1.00 0.00 C ATOM 1038 O GLY A 73 -2.139 2.640 -8.137 1.00 0.00 O ATOM 0 H GLY A 73 -0.629 6.468 -7.174 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.431 4.781 -9.238 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.122 4.764 -8.426 1.00 0.00 H new ATOM 1042 N THR A 74 -0.664 3.073 -6.514 1.00 0.00 N ATOM 1043 CA THR A 74 -0.923 1.828 -5.820 1.00 0.00 C ATOM 1044 C THR A 74 -2.090 1.955 -4.839 1.00 0.00 C ATOM 1045 O THR A 74 -2.879 1.021 -4.681 1.00 0.00 O ATOM 1046 CB THR A 74 0.332 1.336 -5.079 1.00 0.00 C ATOM 1047 OG1 THR A 74 1.448 1.349 -5.976 1.00 0.00 O ATOM 1048 CG2 THR A 74 0.136 -0.074 -4.543 1.00 0.00 C ATOM 0 H THR A 74 0.031 3.672 -6.069 1.00 0.00 H new ATOM 0 HA THR A 74 -1.196 1.095 -6.579 1.00 0.00 H new ATOM 0 HB THR A 74 0.516 2.003 -4.237 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.894 2.221 -5.931 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.039 -0.395 -4.024 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.705 -0.086 -3.849 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.067 -0.753 -5.371 1.00 0.00 H new ATOM 1056 N ARG A 75 -2.199 3.120 -4.189 1.00 0.00 N ATOM 1057 CA ARG A 75 -3.248 3.347 -3.192 1.00 0.00 C ATOM 1058 C ARG A 75 -4.643 3.208 -3.797 1.00 0.00 C ATOM 1059 O ARG A 75 -5.497 2.517 -3.247 1.00 0.00 O ATOM 1060 CB ARG A 75 -3.108 4.738 -2.564 1.00 0.00 C ATOM 1061 CG ARG A 75 -4.059 4.962 -1.401 1.00 0.00 C ATOM 1062 CD ARG A 75 -3.874 6.327 -0.767 1.00 0.00 C ATOM 1063 NE ARG A 75 -4.791 6.536 0.352 1.00 0.00 N ATOM 1064 CZ ARG A 75 -4.839 7.657 1.064 1.00 0.00 C ATOM 1065 NH1 ARG A 75 -5.703 7.774 2.064 1.00 0.00 N ATOM 1066 NH2 ARG A 75 -4.025 8.662 0.770 1.00 0.00 N ATOM 0 H ARG A 75 -1.577 3.915 -4.335 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.126 2.584 -2.423 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.083 4.874 -2.219 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.291 5.495 -3.327 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.087 4.861 -1.749 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.900 4.189 -0.649 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.846 6.429 -0.418 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.035 7.101 -1.518 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.429 5.780 0.600 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.332 7.003 2.287 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.738 8.635 2.609 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.364 8.574 -0.001 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.060 9.523 1.315 1.00 0.00 H new ATOM 1080 N GLU A 76 -4.864 3.854 -4.941 1.00 0.00 N ATOM 1081 CA GLU A 76 -6.157 3.793 -5.614 1.00 0.00 C ATOM 1082 C GLU A 76 -6.477 2.367 -6.047 1.00 0.00 C ATOM 1083 O GLU A 76 -7.615 1.919 -5.934 1.00 0.00 O ATOM 1084 CB GLU A 76 -6.173 4.728 -6.823 1.00 0.00 C ATOM 1085 CG GLU A 76 -7.484 4.722 -7.591 1.00 0.00 C ATOM 1086 CD GLU A 76 -7.425 5.552 -8.857 1.00 0.00 C ATOM 1087 OE1 GLU A 76 -6.370 6.168 -9.118 1.00 0.00 O ATOM 1088 OE2 GLU A 76 -8.434 5.579 -9.591 1.00 0.00 O ATOM 0 H GLU A 76 -4.166 4.424 -5.419 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.922 4.117 -4.909 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.965 5.744 -6.487 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.366 4.445 -7.499 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.746 3.695 -7.847 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.278 5.103 -6.949 1.00 0.00 H new ATOM 1095 N LEU A 77 -5.463 1.664 -6.547 1.00 0.00 N ATOM 1096 CA LEU A 77 -5.628 0.288 -7.002 1.00 0.00 C ATOM 1097 C LEU A 77 -6.078 -0.617 -5.852 1.00 0.00 C ATOM 1098 O LEU A 77 -7.000 -1.419 -6.005 1.00 0.00 O ATOM 1099 CB LEU A 77 -4.309 -0.230 -7.588 1.00 0.00 C ATOM 1100 CG LEU A 77 -4.345 -1.663 -8.127 1.00 0.00 C ATOM 1101 CD1 LEU A 77 -5.312 -1.770 -9.296 1.00 0.00 C ATOM 1102 CD2 LEU A 77 -2.951 -2.111 -8.535 1.00 0.00 C ATOM 0 H LEU A 77 -4.515 2.028 -6.647 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.398 0.272 -7.774 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.004 0.436 -8.395 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.541 -0.169 -6.817 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.698 -2.323 -7.334 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.324 -2.795 -9.666 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.313 -1.491 -8.967 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.993 -1.100 -10.095 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.994 -3.131 -8.916 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.569 -1.449 -9.312 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.289 -2.074 -7.670 1.00 0.00 H new ATOM 1114 N LEU A 78 -5.421 -0.480 -4.702 1.00 0.00 N ATOM 1115 CA LEU A 78 -5.756 -1.282 -3.526 1.00 0.00 C ATOM 1116 C LEU A 78 -7.131 -0.893 -2.960 1.00 0.00 C ATOM 1117 O LEU A 78 -7.919 -1.752 -2.569 1.00 0.00 O ATOM 1118 CB LEU A 78 -4.662 -1.136 -2.451 1.00 0.00 C ATOM 1119 CG LEU A 78 -3.271 -1.630 -2.872 1.00 0.00 C ATOM 1120 CD1 LEU A 78 -2.270 -1.447 -1.742 1.00 0.00 C ATOM 1121 CD2 LEU A 78 -3.324 -3.086 -3.309 1.00 0.00 C ATOM 0 H LEU A 78 -4.655 0.178 -4.559 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.808 -2.327 -3.831 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.588 -0.086 -2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.972 -1.684 -1.561 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.942 -1.031 -3.721 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.291 -1.804 -2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.204 -0.391 -1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.596 -2.016 -0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.327 -3.414 -3.603 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.680 -3.701 -2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.003 -3.187 -4.155 1.00 0.00 H new ATOM 1133 N TRP A 79 -7.422 0.407 -2.962 1.00 0.00 N ATOM 1134 CA TRP A 79 -8.692 0.935 -2.442 1.00 0.00 C ATOM 1135 C TRP A 79 -9.864 0.753 -3.412 1.00 0.00 C ATOM 1136 O TRP A 79 -11.002 1.075 -3.069 1.00 0.00 O ATOM 1137 CB TRP A 79 -8.550 2.413 -2.073 1.00 0.00 C ATOM 1138 CG TRP A 79 -7.931 2.635 -0.724 1.00 0.00 C ATOM 1139 CD1 TRP A 79 -6.620 2.902 -0.454 1.00 0.00 C ATOM 1140 CD2 TRP A 79 -8.604 2.624 0.540 1.00 0.00 C ATOM 1141 NE1 TRP A 79 -6.435 3.049 0.899 1.00 0.00 N ATOM 1142 CE2 TRP A 79 -7.640 2.883 1.530 1.00 0.00 C ATOM 1143 CE3 TRP A 79 -9.931 2.417 0.931 1.00 0.00 C ATOM 1144 CZ2 TRP A 79 -7.959 2.943 2.886 1.00 0.00 C ATOM 1145 CZ3 TRP A 79 -10.247 2.476 2.274 1.00 0.00 C ATOM 1146 CH2 TRP A 79 -9.265 2.737 3.239 1.00 0.00 C ATOM 0 H TRP A 79 -6.791 1.124 -3.321 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.921 0.351 -1.550 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -7.944 2.912 -2.829 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -9.534 2.881 -2.094 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -5.841 2.986 -1.197 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -5.547 3.249 1.359 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -10.695 2.215 0.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -7.203 3.145 3.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -11.269 2.318 2.586 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -9.544 2.776 4.282 1.00 0.00 H new ATOM 1157 N SER A 80 -9.590 0.264 -4.620 1.00 0.00 N ATOM 1158 CA SER A 80 -10.637 0.077 -5.633 1.00 0.00 C ATOM 1159 C SER A 80 -11.749 -0.864 -5.157 1.00 0.00 C ATOM 1160 O SER A 80 -12.922 -0.624 -5.441 1.00 0.00 O ATOM 1161 CB SER A 80 -10.035 -0.459 -6.934 1.00 0.00 C ATOM 1162 OG SER A 80 -9.198 0.506 -7.547 1.00 0.00 O ATOM 0 H SER A 80 -8.656 -0.010 -4.924 1.00 0.00 H new ATOM 0 HA SER A 80 -11.082 1.056 -5.809 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.462 -1.363 -6.727 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.835 -0.739 -7.620 1.00 0.00 H new ATOM 0 HG SER A 80 -8.526 0.812 -6.903 1.00 0.00 H new ATOM 1168 N TRP A 81 -11.391 -1.935 -4.455 1.00 0.00 N ATOM 1169 CA TRP A 81 -12.396 -2.875 -3.960 1.00 0.00 C ATOM 1170 C TRP A 81 -12.951 -2.412 -2.610 1.00 0.00 C ATOM 1171 O TRP A 81 -13.947 -1.691 -2.553 1.00 0.00 O ATOM 1172 CB TRP A 81 -11.796 -4.278 -3.835 1.00 0.00 C ATOM 1173 CG TRP A 81 -11.566 -4.950 -5.155 1.00 0.00 C ATOM 1174 CD1 TRP A 81 -10.383 -5.048 -5.830 1.00 0.00 C ATOM 1175 CD2 TRP A 81 -12.545 -5.618 -5.960 1.00 0.00 C ATOM 1176 NE1 TRP A 81 -10.567 -5.736 -7.005 1.00 0.00 N ATOM 1177 CE2 TRP A 81 -11.885 -6.097 -7.107 1.00 0.00 C ATOM 1178 CE3 TRP A 81 -13.915 -5.859 -5.819 1.00 0.00 C ATOM 1179 CZ2 TRP A 81 -12.549 -6.802 -8.108 1.00 0.00 C ATOM 1180 CZ3 TRP A 81 -14.573 -6.560 -6.813 1.00 0.00 C ATOM 1181 CH2 TRP A 81 -13.889 -7.024 -7.945 1.00 0.00 C ATOM 0 H TRP A 81 -10.428 -2.173 -4.218 1.00 0.00 H new ATOM 0 HA TRP A 81 -13.217 -2.908 -4.676 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -10.849 -4.213 -3.299 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -12.461 -4.897 -3.232 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -9.441 -4.644 -5.490 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -9.841 -5.944 -7.690 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -14.449 -5.504 -4.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -12.025 -7.161 -8.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -15.631 -6.753 -6.715 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -14.431 -7.568 -8.704 1.00 0.00 H new ATOM 1192 N ALA A 82 -12.313 -2.841 -1.526 1.00 0.00 N ATOM 1193 CA ALA A 82 -12.724 -2.435 -0.184 1.00 0.00 C ATOM 1194 C ALA A 82 -11.705 -1.452 0.378 1.00 0.00 C ATOM 1195 O ALA A 82 -11.861 -0.238 0.259 1.00 0.00 O ATOM 1196 CB ALA A 82 -12.871 -3.652 0.724 1.00 0.00 C ATOM 0 H ALA A 82 -11.510 -3.469 -1.549 1.00 0.00 H new ATOM 0 HA ALA A 82 -13.696 -1.945 -0.236 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.178 -3.329 1.719 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.624 -4.324 0.313 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.916 -4.174 0.790 1.00 0.00 H new ATOM 1202 N GLN A 83 -10.662 -1.993 0.997 1.00 0.00 N ATOM 1203 CA GLN A 83 -9.578 -1.181 1.529 1.00 0.00 C ATOM 1204 C GLN A 83 -8.312 -1.510 0.747 1.00 0.00 C ATOM 1205 O GLN A 83 -7.644 -0.620 0.227 1.00 0.00 O ATOM 1206 CB GLN A 83 -9.395 -1.414 3.030 1.00 0.00 C ATOM 1207 CG GLN A 83 -10.617 -1.010 3.845 1.00 0.00 C ATOM 1208 CD GLN A 83 -10.383 -1.085 5.337 1.00 0.00 C ATOM 1209 OE1 GLN A 83 -9.436 -0.500 5.857 1.00 0.00 O ATOM 1210 NE2 GLN A 83 -11.249 -1.804 6.041 1.00 0.00 N ATOM 0 H GLN A 83 -10.546 -2.996 1.142 1.00 0.00 H new ATOM 0 HA GLN A 83 -9.813 -0.123 1.412 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -9.180 -2.468 3.206 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.530 -0.850 3.378 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -10.905 0.007 3.579 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -11.453 -1.657 3.581 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -12.022 -2.275 5.571 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.141 -1.886 7.052 1.00 0.00 H new ATOM 1219 N LYS A 84 -7.976 -2.797 0.695 1.00 0.00 N ATOM 1220 CA LYS A 84 -6.842 -3.253 -0.101 1.00 0.00 C ATOM 1221 C LYS A 84 -7.264 -4.468 -0.936 1.00 0.00 C ATOM 1222 O LYS A 84 -6.973 -4.545 -2.130 1.00 0.00 O ATOM 1223 CB LYS A 84 -5.630 -3.590 0.784 1.00 0.00 C ATOM 1224 CG LYS A 84 -4.581 -4.442 0.082 1.00 0.00 C ATOM 1225 CD LYS A 84 -3.278 -4.525 0.860 1.00 0.00 C ATOM 1226 CE LYS A 84 -3.480 -5.132 2.236 1.00 0.00 C ATOM 1227 NZ LYS A 84 -4.183 -6.442 2.160 1.00 0.00 N ATOM 0 H LYS A 84 -8.470 -3.538 1.192 1.00 0.00 H new ATOM 0 HA LYS A 84 -6.536 -2.446 -0.767 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.167 -2.662 1.120 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.976 -4.115 1.675 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -4.975 -5.447 -0.067 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.384 -4.027 -0.906 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.559 -5.123 0.301 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.852 -3.527 0.962 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.513 -5.265 2.721 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.056 -4.445 2.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -5.131 -6.352 2.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.269 -6.732 1.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.640 -7.158 2.684 1.00 0.00 H new ATOM 1241 N ASN A 85 -7.976 -5.400 -0.280 1.00 0.00 N ATOM 1242 CA ASN A 85 -8.501 -6.627 -0.912 1.00 0.00 C ATOM 1243 C ASN A 85 -7.439 -7.349 -1.745 1.00 0.00 C ATOM 1244 O ASN A 85 -7.752 -7.990 -2.750 1.00 0.00 O ATOM 1245 CB ASN A 85 -9.722 -6.308 -1.779 1.00 0.00 C ATOM 1246 CG ASN A 85 -10.609 -7.523 -1.986 1.00 0.00 C ATOM 1247 OD1 ASN A 85 -10.833 -8.303 -1.064 1.00 0.00 O ATOM 1248 ND2 ASN A 85 -11.117 -7.691 -3.200 1.00 0.00 N ATOM 0 H ASN A 85 -8.206 -5.324 0.711 1.00 0.00 H new ATOM 0 HA ASN A 85 -8.799 -7.298 -0.106 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -10.301 -5.513 -1.310 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -9.390 -5.933 -2.747 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -11.718 -8.492 -3.395 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -10.906 -7.020 -3.938 1.00 0.00 H new ATOM 1255 N LYS A 86 -6.190 -7.255 -1.319 1.00 0.00 N ATOM 1256 CA LYS A 86 -5.085 -7.880 -2.029 1.00 0.00 C ATOM 1257 C LYS A 86 -4.115 -8.493 -1.032 1.00 0.00 C ATOM 1258 O LYS A 86 -3.745 -7.849 -0.056 1.00 0.00 O ATOM 1259 CB LYS A 86 -4.350 -6.841 -2.886 1.00 0.00 C ATOM 1260 CG LYS A 86 -4.519 -7.034 -4.386 1.00 0.00 C ATOM 1261 CD LYS A 86 -5.854 -6.495 -4.877 1.00 0.00 C ATOM 1262 CE LYS A 86 -6.329 -7.233 -6.120 1.00 0.00 C ATOM 1263 NZ LYS A 86 -5.305 -7.223 -7.202 1.00 0.00 N ATOM 0 H LYS A 86 -5.914 -6.748 -0.478 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.482 -8.660 -2.678 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.707 -5.847 -2.617 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.288 -6.874 -2.645 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.708 -6.530 -4.911 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.444 -8.094 -4.627 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.599 -6.592 -4.088 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.760 -5.432 -5.097 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.571 -8.263 -5.859 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.247 -6.773 -6.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.735 -7.552 -8.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.944 -6.256 -7.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.520 -7.854 -6.943 1.00 0.00 H new ATOM 1277 N THR A 87 -3.707 -9.730 -1.261 1.00 0.00 N ATOM 1278 CA THR A 87 -2.774 -10.368 -0.351 1.00 0.00 C ATOM 1279 C THR A 87 -1.341 -9.941 -0.662 1.00 0.00 C ATOM 1280 O THR A 87 -1.044 -9.470 -1.767 1.00 0.00 O ATOM 1281 CB THR A 87 -2.879 -11.905 -0.393 1.00 0.00 C ATOM 1282 OG1 THR A 87 -2.480 -12.394 -1.680 1.00 0.00 O ATOM 1283 CG2 THR A 87 -4.301 -12.357 -0.093 1.00 0.00 C ATOM 0 H THR A 87 -4.000 -10.302 -2.053 1.00 0.00 H new ATOM 0 HA THR A 87 -3.040 -10.042 0.655 1.00 0.00 H new ATOM 0 HB THR A 87 -2.214 -12.311 0.369 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.549 -13.371 -1.694 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.352 -13.445 -0.128 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.591 -12.012 0.900 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.980 -11.938 -0.835 1.00 0.00 H new ATOM 1291 N ILE A 88 -0.457 -10.119 0.314 1.00 0.00 N ATOM 1292 CA ILE A 88 0.947 -9.748 0.169 1.00 0.00 C ATOM 1293 C ILE A 88 1.605 -10.516 -0.982 1.00 0.00 C ATOM 1294 O ILE A 88 2.398 -9.953 -1.735 1.00 0.00 O ATOM 1295 CB ILE A 88 1.704 -9.958 1.511 1.00 0.00 C ATOM 1296 CG1 ILE A 88 1.775 -8.630 2.276 1.00 0.00 C ATOM 1297 CG2 ILE A 88 3.100 -10.531 1.302 1.00 0.00 C ATOM 1298 CD1 ILE A 88 0.459 -8.205 2.890 1.00 0.00 C ATOM 0 H ILE A 88 -0.691 -10.521 1.222 1.00 0.00 H new ATOM 0 HA ILE A 88 1.001 -8.689 -0.082 1.00 0.00 H new ATOM 0 HB ILE A 88 1.147 -10.689 2.098 1.00 0.00 H new ATOM 0 HG12 ILE A 88 2.522 -8.716 3.065 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.117 -7.849 1.597 1.00 0.00 H new ATOM 0 HG21 ILE A 88 3.589 -10.660 2.268 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.026 -11.496 0.801 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.686 -9.847 0.687 1.00 0.00 H new ATOM 0 HD11 ILE A 88 0.591 -7.258 3.413 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.287 -8.085 2.104 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.124 -8.966 3.595 1.00 0.00 H new ATOM 1310 N GLY A 89 1.251 -11.791 -1.123 1.00 0.00 N ATOM 1311 CA GLY A 89 1.800 -12.609 -2.194 1.00 0.00 C ATOM 1312 C GLY A 89 1.422 -12.098 -3.577 1.00 0.00 C ATOM 1313 O GLY A 89 2.234 -12.136 -4.503 1.00 0.00 O ATOM 0 H GLY A 89 0.592 -12.274 -0.513 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.886 -12.635 -2.105 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.446 -13.634 -2.081 1.00 0.00 H new ATOM 1317 N ASP A 90 0.180 -11.633 -3.713 1.00 0.00 N ATOM 1318 CA ASP A 90 -0.326 -11.115 -4.989 1.00 0.00 C ATOM 1319 C ASP A 90 0.454 -9.888 -5.460 1.00 0.00 C ATOM 1320 O ASP A 90 0.842 -9.802 -6.625 1.00 0.00 O ATOM 1321 CB ASP A 90 -1.813 -10.772 -4.864 1.00 0.00 C ATOM 1322 CG ASP A 90 -2.422 -10.314 -6.175 1.00 0.00 C ATOM 1323 OD1 ASP A 90 -2.895 -11.179 -6.942 1.00 0.00 O ATOM 1324 OD2 ASP A 90 -2.431 -9.092 -6.435 1.00 0.00 O ATOM 0 H ASP A 90 -0.499 -11.604 -2.952 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.191 -11.897 -5.736 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.354 -11.647 -4.503 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.939 -9.989 -4.117 1.00 0.00 H new ATOM 1329 N LEU A 91 0.690 -8.942 -4.553 1.00 0.00 N ATOM 1330 CA LEU A 91 1.422 -7.720 -4.900 1.00 0.00 C ATOM 1331 C LEU A 91 2.928 -7.966 -4.961 1.00 0.00 C ATOM 1332 O LEU A 91 3.646 -7.248 -5.653 1.00 0.00 O ATOM 1333 CB LEU A 91 1.123 -6.593 -3.905 1.00 0.00 C ATOM 1334 CG LEU A 91 0.426 -5.354 -4.486 1.00 0.00 C ATOM 1335 CD1 LEU A 91 1.139 -4.868 -5.739 1.00 0.00 C ATOM 1336 CD2 LEU A 91 -1.034 -5.653 -4.788 1.00 0.00 C ATOM 0 H LEU A 91 0.389 -8.994 -3.580 1.00 0.00 H new ATOM 0 HA LEU A 91 1.081 -7.417 -5.890 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.500 -6.995 -3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.062 -6.278 -3.449 1.00 0.00 H new ATOM 0 HG LEU A 91 0.470 -4.561 -3.739 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.627 -3.990 -6.132 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.169 -4.608 -5.494 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.133 -5.658 -6.490 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.510 -4.763 -5.199 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.097 -6.465 -5.512 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.543 -5.946 -3.870 1.00 0.00 H new ATOM 1348 N LEU A 92 3.398 -8.990 -4.250 1.00 0.00 N ATOM 1349 CA LEU A 92 4.824 -9.323 -4.223 1.00 0.00 C ATOM 1350 C LEU A 92 5.341 -9.636 -5.624 1.00 0.00 C ATOM 1351 O LEU A 92 6.445 -9.232 -5.990 1.00 0.00 O ATOM 1352 CB LEU A 92 5.077 -10.515 -3.291 1.00 0.00 C ATOM 1353 CG LEU A 92 6.540 -10.956 -3.171 1.00 0.00 C ATOM 1354 CD1 LEU A 92 7.398 -9.835 -2.604 1.00 0.00 C ATOM 1355 CD2 LEU A 92 6.647 -12.201 -2.302 1.00 0.00 C ATOM 0 H LEU A 92 2.813 -9.605 -3.684 1.00 0.00 H new ATOM 0 HA LEU A 92 5.364 -8.455 -3.845 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.709 -10.262 -2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 92 4.488 -11.362 -3.643 1.00 0.00 H new ATOM 0 HG LEU A 92 6.909 -11.194 -4.169 1.00 0.00 H new ATOM 0 HD11 LEU A 92 8.432 -10.171 -2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.346 -8.968 -3.263 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.032 -9.561 -1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.692 -12.503 -2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.258 -11.985 -1.307 1.00 0.00 H new ATOM 0 HD23 LEU A 92 6.068 -13.008 -2.750 1.00 0.00 H new ATOM 1367 N GLN A 93 4.536 -10.355 -6.400 1.00 0.00 N ATOM 1368 CA GLN A 93 4.904 -10.717 -7.766 1.00 0.00 C ATOM 1369 C GLN A 93 5.079 -9.464 -8.625 1.00 0.00 C ATOM 1370 O GLN A 93 6.005 -9.373 -9.432 1.00 0.00 O ATOM 1371 CB GLN A 93 3.823 -11.618 -8.364 1.00 0.00 C ATOM 1372 CG GLN A 93 3.760 -12.995 -7.720 1.00 0.00 C ATOM 1373 CD GLN A 93 2.554 -13.793 -8.172 1.00 0.00 C ATOM 1374 OE1 GLN A 93 2.560 -14.395 -9.245 1.00 0.00 O ATOM 1375 NE2 GLN A 93 1.508 -13.793 -7.357 1.00 0.00 N ATOM 0 H GLN A 93 3.622 -10.700 -6.106 1.00 0.00 H new ATOM 0 HA GLN A 93 5.852 -11.254 -7.746 1.00 0.00 H new ATOM 0 HB2 GLN A 93 2.854 -11.130 -8.257 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.006 -11.733 -9.432 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.668 -13.547 -7.962 1.00 0.00 H new ATOM 0 HG3 GLN A 93 3.733 -12.885 -6.636 1.00 0.00 H new ATOM 0 HE21 GLN A 93 1.547 -13.280 -6.477 1.00 0.00 H new ATOM 0 HE22 GLN A 93 0.664 -14.306 -7.611 1.00 0.00 H new ATOM 1384 N VAL A 94 4.178 -8.502 -8.441 1.00 0.00 N ATOM 1385 CA VAL A 94 4.225 -7.238 -9.171 1.00 0.00 C ATOM 1386 C VAL A 94 5.424 -6.403 -8.700 1.00 0.00 C ATOM 1387 O VAL A 94 6.115 -5.767 -9.502 1.00 0.00 O ATOM 1388 CB VAL A 94 2.913 -6.438 -8.979 1.00 0.00 C ATOM 1389 CG1 VAL A 94 2.982 -5.091 -9.682 1.00 0.00 C ATOM 1390 CG2 VAL A 94 1.719 -7.243 -9.474 1.00 0.00 C ATOM 0 H VAL A 94 3.400 -8.576 -7.786 1.00 0.00 H new ATOM 0 HA VAL A 94 4.337 -7.460 -10.232 1.00 0.00 H new ATOM 0 HB VAL A 94 2.786 -6.251 -7.913 1.00 0.00 H new ATOM 0 HG11 VAL A 94 2.047 -4.553 -9.529 1.00 0.00 H new ATOM 0 HG12 VAL A 94 3.807 -4.509 -9.272 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.142 -5.245 -10.749 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.806 -6.665 -9.331 1.00 0.00 H new ATOM 0 HG22 VAL A 94 1.845 -7.466 -10.533 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.650 -8.175 -8.912 1.00 0.00 H new ATOM 1400 N LEU A 95 5.657 -6.426 -7.384 1.00 0.00 N ATOM 1401 CA LEU A 95 6.765 -5.694 -6.761 1.00 0.00 C ATOM 1402 C LEU A 95 8.110 -6.144 -7.323 1.00 0.00 C ATOM 1403 O LEU A 95 9.024 -5.334 -7.489 1.00 0.00 O ATOM 1404 CB LEU A 95 6.755 -5.907 -5.242 1.00 0.00 C ATOM 1405 CG LEU A 95 6.065 -4.820 -4.405 1.00 0.00 C ATOM 1406 CD1 LEU A 95 4.750 -4.393 -5.035 1.00 0.00 C ATOM 1407 CD2 LEU A 95 5.831 -5.319 -2.989 1.00 0.00 C ATOM 0 H LEU A 95 5.085 -6.951 -6.722 1.00 0.00 H new ATOM 0 HA LEU A 95 6.629 -4.636 -6.985 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.268 -6.859 -5.034 1.00 0.00 H new ATOM 0 HB3 LEU A 95 7.787 -5.996 -4.903 1.00 0.00 H new ATOM 0 HG LEU A 95 6.721 -3.950 -4.373 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.285 -3.623 -4.420 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.936 -3.997 -6.033 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.084 -5.253 -5.105 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.341 -4.540 -2.405 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.197 -6.205 -3.016 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.787 -5.570 -2.529 1.00 0.00 H new ATOM 1419 N GLN A 96 8.227 -7.442 -7.601 1.00 0.00 N ATOM 1420 CA GLN A 96 9.457 -8.009 -8.149 1.00 0.00 C ATOM 1421 C GLN A 96 9.772 -7.425 -9.524 1.00 0.00 C ATOM 1422 O GLN A 96 10.932 -7.159 -9.836 1.00 0.00 O ATOM 1423 CB GLN A 96 9.349 -9.534 -8.248 1.00 0.00 C ATOM 1424 CG GLN A 96 9.319 -10.237 -6.897 1.00 0.00 C ATOM 1425 CD GLN A 96 10.576 -9.997 -6.083 1.00 0.00 C ATOM 1426 OE1 GLN A 96 11.689 -10.150 -6.579 1.00 0.00 O ATOM 1427 NE2 GLN A 96 10.402 -9.616 -4.825 1.00 0.00 N ATOM 0 H GLN A 96 7.481 -8.122 -7.455 1.00 0.00 H new ATOM 0 HA GLN A 96 10.269 -7.750 -7.470 1.00 0.00 H new ATOM 0 HB2 GLN A 96 8.445 -9.790 -8.800 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.193 -9.912 -8.825 1.00 0.00 H new ATOM 0 HG2 GLN A 96 8.454 -9.891 -6.332 1.00 0.00 H new ATOM 0 HG3 GLN A 96 9.191 -11.308 -7.052 1.00 0.00 H new ATOM 0 HE21 GLN A 96 9.459 -9.501 -4.453 1.00 0.00 H new ATOM 0 HE22 GLN A 96 11.211 -9.438 -4.230 1.00 0.00 H new ATOM 1436 N GLU A 97 8.737 -7.238 -10.345 1.00 0.00 N ATOM 1437 CA GLU A 97 8.909 -6.682 -11.685 1.00 0.00 C ATOM 1438 C GLU A 97 9.465 -5.257 -11.613 1.00 0.00 C ATOM 1439 O GLU A 97 10.385 -4.901 -12.351 1.00 0.00 O ATOM 1440 CB GLU A 97 7.574 -6.700 -12.444 1.00 0.00 C ATOM 1441 CG GLU A 97 7.660 -6.164 -13.869 1.00 0.00 C ATOM 1442 CD GLU A 97 8.530 -7.018 -14.776 1.00 0.00 C ATOM 1443 OE1 GLU A 97 8.766 -8.200 -14.436 1.00 0.00 O ATOM 1444 OE2 GLU A 97 8.968 -6.508 -15.825 1.00 0.00 O ATOM 0 H GLU A 97 7.772 -7.464 -10.104 1.00 0.00 H new ATOM 0 HA GLU A 97 9.626 -7.300 -12.225 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.199 -7.723 -12.474 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.845 -6.110 -11.889 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.656 -6.104 -14.289 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.057 -5.149 -13.846 1.00 0.00 H new ATOM 1451 N MET A 98 8.884 -4.445 -10.730 1.00 0.00 N ATOM 1452 CA MET A 98 9.330 -3.063 -10.540 1.00 0.00 C ATOM 1453 C MET A 98 10.695 -2.987 -9.862 1.00 0.00 C ATOM 1454 O MET A 98 11.506 -2.119 -10.181 1.00 0.00 O ATOM 1455 CB MET A 98 8.296 -2.267 -9.743 1.00 0.00 C ATOM 1456 CG MET A 98 7.027 -1.970 -10.528 1.00 0.00 C ATOM 1457 SD MET A 98 7.340 -0.924 -11.966 1.00 0.00 S ATOM 1458 CE MET A 98 7.419 -2.138 -13.279 1.00 0.00 C ATOM 0 H MET A 98 8.103 -4.720 -10.134 1.00 0.00 H new ATOM 0 HA MET A 98 9.432 -2.621 -11.531 1.00 0.00 H new ATOM 0 HB2 MET A 98 8.036 -2.823 -8.842 1.00 0.00 H new ATOM 0 HB3 MET A 98 8.743 -1.327 -9.419 1.00 0.00 H new ATOM 0 HG2 MET A 98 6.577 -2.907 -10.854 1.00 0.00 H new ATOM 0 HG3 MET A 98 6.305 -1.480 -9.875 1.00 0.00 H new ATOM 0 HE1 MET A 98 8.445 -2.219 -13.638 1.00 0.00 H new ATOM 0 HE2 MET A 98 7.089 -3.105 -12.900 1.00 0.00 H new ATOM 0 HE3 MET A 98 6.771 -1.829 -14.099 1.00 0.00 H new ATOM 1468 N GLY A 99 10.944 -3.896 -8.925 1.00 0.00 N ATOM 1469 CA GLY A 99 12.211 -3.888 -8.217 1.00 0.00 C ATOM 1470 C GLY A 99 12.133 -3.104 -6.925 1.00 0.00 C ATOM 1471 O GLY A 99 13.048 -2.353 -6.588 1.00 0.00 O ATOM 0 H GLY A 99 10.297 -4.633 -8.645 1.00 0.00 H new ATOM 0 HA2 GLY A 99 12.512 -4.913 -8.001 1.00 0.00 H new ATOM 0 HA3 GLY A 99 12.981 -3.457 -8.857 1.00 0.00 H new ATOM 1475 N HIS A 100 11.023 -3.260 -6.207 1.00 0.00 N ATOM 1476 CA HIS A 100 10.813 -2.557 -4.944 1.00 0.00 C ATOM 1477 C HIS A 100 11.613 -3.201 -3.809 1.00 0.00 C ATOM 1478 O HIS A 100 11.108 -4.068 -3.090 1.00 0.00 O ATOM 1479 CB HIS A 100 9.327 -2.550 -4.588 1.00 0.00 C ATOM 1480 CG HIS A 100 8.907 -1.364 -3.777 1.00 0.00 C ATOM 1481 ND1 HIS A 100 9.658 -0.824 -2.756 1.00 0.00 N ATOM 1482 CD2 HIS A 100 7.766 -0.633 -3.827 1.00 0.00 C ATOM 1483 CE1 HIS A 100 8.963 0.190 -2.226 1.00 0.00 C ATOM 1484 NE2 HIS A 100 7.809 0.349 -2.840 1.00 0.00 N ATOM 0 H HIS A 100 10.252 -3.870 -6.480 1.00 0.00 H new ATOM 0 HA HIS A 100 11.162 -1.532 -5.069 1.00 0.00 H new ATOM 0 HB2 HIS A 100 8.742 -2.575 -5.508 1.00 0.00 H new ATOM 0 HB3 HIS A 100 9.091 -3.459 -4.035 1.00 0.00 H new ATOM 0 HD2 HIS A 100 6.953 -0.788 -4.521 1.00 0.00 H new ATOM 0 HE1 HIS A 100 9.304 0.799 -1.402 1.00 0.00 H new ATOM 0 HE2 HIS A 100 7.094 1.047 -2.635 1.00 0.00 H new ATOM 1491 N ARG A 101 12.864 -2.773 -3.663 1.00 0.00 N ATOM 1492 CA ARG A 101 13.757 -3.289 -2.625 1.00 0.00 C ATOM 1493 C ARG A 101 13.253 -2.985 -1.215 1.00 0.00 C ATOM 1494 O ARG A 101 13.291 -3.849 -0.337 1.00 0.00 O ATOM 1495 CB ARG A 101 15.147 -2.677 -2.796 1.00 0.00 C ATOM 1496 CG ARG A 101 15.982 -3.321 -3.894 1.00 0.00 C ATOM 1497 CD ARG A 101 15.848 -2.572 -5.210 1.00 0.00 C ATOM 1498 NE ARG A 101 16.471 -1.252 -5.159 1.00 0.00 N ATOM 1499 CZ ARG A 101 16.203 -0.276 -6.022 1.00 0.00 C ATOM 1500 NH1 ARG A 101 16.835 0.886 -5.929 1.00 0.00 N ATOM 1501 NH2 ARG A 101 15.290 -0.460 -6.970 1.00 0.00 N ATOM 0 H ARG A 101 13.288 -2.061 -4.258 1.00 0.00 H new ATOM 0 HA ARG A 101 13.792 -4.372 -2.741 1.00 0.00 H new ATOM 0 HB2 ARG A 101 15.040 -1.614 -3.013 1.00 0.00 H new ATOM 0 HB3 ARG A 101 15.685 -2.757 -1.852 1.00 0.00 H new ATOM 0 HG2 ARG A 101 17.029 -3.342 -3.591 1.00 0.00 H new ATOM 0 HG3 ARG A 101 15.669 -4.356 -4.030 1.00 0.00 H new ATOM 0 HD2 ARG A 101 16.306 -3.157 -6.008 1.00 0.00 H new ATOM 0 HD3 ARG A 101 14.792 -2.464 -5.459 1.00 0.00 H new ATOM 0 HE ARG A 101 17.150 -1.068 -4.420 1.00 0.00 H new ATOM 0 HH11 ARG A 101 17.528 1.032 -5.195 1.00 0.00 H new ATOM 0 HH12 ARG A 101 16.628 1.633 -6.592 1.00 0.00 H new ATOM 0 HH21 ARG A 101 14.795 -1.349 -7.036 1.00 0.00 H new ATOM 0 HH22 ARG A 101 15.084 0.288 -7.632 1.00 0.00 H new ATOM 1515 N ARG A 102 12.779 -1.758 -1.005 1.00 0.00 N ATOM 1516 CA ARG A 102 12.288 -1.332 0.306 1.00 0.00 C ATOM 1517 C ARG A 102 11.068 -2.141 0.742 1.00 0.00 C ATOM 1518 O ARG A 102 10.937 -2.501 1.915 1.00 0.00 O ATOM 1519 CB ARG A 102 11.947 0.159 0.300 1.00 0.00 C ATOM 1520 CG ARG A 102 11.690 0.725 1.688 1.00 0.00 C ATOM 1521 CD ARG A 102 12.985 1.122 2.383 1.00 0.00 C ATOM 1522 NE ARG A 102 13.656 -0.023 2.997 1.00 0.00 N ATOM 1523 CZ ARG A 102 14.850 0.048 3.579 1.00 0.00 C ATOM 1524 NH1 ARG A 102 15.398 -1.039 4.108 1.00 0.00 N ATOM 1525 NH2 ARG A 102 15.496 1.206 3.634 1.00 0.00 N ATOM 0 H ARG A 102 12.724 -1.040 -1.727 1.00 0.00 H new ATOM 0 HA ARG A 102 13.089 -1.512 1.023 1.00 0.00 H new ATOM 0 HB2 ARG A 102 12.766 0.710 -0.163 1.00 0.00 H new ATOM 0 HB3 ARG A 102 11.064 0.320 -0.319 1.00 0.00 H new ATOM 0 HG2 ARG A 102 11.037 1.594 1.611 1.00 0.00 H new ATOM 0 HG3 ARG A 102 11.165 -0.016 2.292 1.00 0.00 H new ATOM 0 HD2 ARG A 102 13.655 1.589 1.661 1.00 0.00 H new ATOM 0 HD3 ARG A 102 12.771 1.868 3.148 1.00 0.00 H new ATOM 0 HE ARG A 102 13.182 -0.926 2.978 1.00 0.00 H new ATOM 0 HH11 ARG A 102 14.903 -1.930 4.069 1.00 0.00 H new ATOM 0 HH12 ARG A 102 16.314 -0.983 4.554 1.00 0.00 H new ATOM 0 HH21 ARG A 102 15.077 2.043 3.230 1.00 0.00 H new ATOM 0 HH22 ARG A 102 16.411 1.259 4.081 1.00 0.00 H new ATOM 1539 N ALA A 103 10.182 -2.419 -0.209 1.00 0.00 N ATOM 1540 CA ALA A 103 8.967 -3.181 0.073 1.00 0.00 C ATOM 1541 C ALA A 103 9.303 -4.568 0.587 1.00 0.00 C ATOM 1542 O ALA A 103 8.626 -5.083 1.470 1.00 0.00 O ATOM 1543 CB ALA A 103 8.086 -3.281 -1.159 1.00 0.00 C ATOM 0 H ALA A 103 10.281 -2.129 -1.182 1.00 0.00 H new ATOM 0 HA ALA A 103 8.417 -2.647 0.848 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.190 -3.853 -0.920 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.802 -2.281 -1.485 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.633 -3.781 -1.958 1.00 0.00 H new ATOM 1549 N ILE A 104 10.351 -5.167 0.032 1.00 0.00 N ATOM 1550 CA ILE A 104 10.782 -6.499 0.433 1.00 0.00 C ATOM 1551 C ILE A 104 11.154 -6.521 1.919 1.00 0.00 C ATOM 1552 O ILE A 104 10.799 -7.452 2.643 1.00 0.00 O ATOM 1553 CB ILE A 104 11.989 -6.973 -0.416 1.00 0.00 C ATOM 1554 CG1 ILE A 104 11.556 -7.200 -1.866 1.00 0.00 C ATOM 1555 CG2 ILE A 104 12.597 -8.247 0.160 1.00 0.00 C ATOM 1556 CD1 ILE A 104 12.713 -7.398 -2.823 1.00 0.00 C ATOM 0 H ILE A 104 10.921 -4.746 -0.702 1.00 0.00 H new ATOM 0 HA ILE A 104 9.949 -7.181 0.264 1.00 0.00 H new ATOM 0 HB ILE A 104 12.751 -6.194 -0.391 1.00 0.00 H new ATOM 0 HG12 ILE A 104 10.907 -8.074 -1.909 1.00 0.00 H new ATOM 0 HG13 ILE A 104 10.964 -6.347 -2.197 1.00 0.00 H new ATOM 0 HG21 ILE A 104 13.442 -8.557 -0.455 1.00 0.00 H new ATOM 0 HG22 ILE A 104 12.939 -8.059 1.178 1.00 0.00 H new ATOM 0 HG23 ILE A 104 11.846 -9.037 0.170 1.00 0.00 H new ATOM 0 HD11 ILE A 104 12.329 -7.553 -3.831 1.00 0.00 H new ATOM 0 HD12 ILE A 104 13.351 -6.515 -2.810 1.00 0.00 H new ATOM 0 HD13 ILE A 104 13.293 -8.269 -2.518 1.00 0.00 H new ATOM 1568 N HIS A 105 11.871 -5.495 2.366 1.00 0.00 N ATOM 1569 CA HIS A 105 12.289 -5.404 3.764 1.00 0.00 C ATOM 1570 C HIS A 105 11.097 -5.281 4.723 1.00 0.00 C ATOM 1571 O HIS A 105 11.070 -5.937 5.762 1.00 0.00 O ATOM 1572 CB HIS A 105 13.228 -4.210 3.959 1.00 0.00 C ATOM 1573 CG HIS A 105 14.604 -4.426 3.407 1.00 0.00 C ATOM 1574 ND1 HIS A 105 15.594 -5.120 4.067 1.00 0.00 N ATOM 1575 CD2 HIS A 105 15.149 -4.024 2.230 1.00 0.00 C ATOM 1576 CE1 HIS A 105 16.686 -5.115 3.290 1.00 0.00 C ATOM 1577 NE2 HIS A 105 16.467 -4.464 2.163 1.00 0.00 N ATOM 0 H HIS A 105 12.175 -4.715 1.783 1.00 0.00 H new ATOM 0 HA HIS A 105 12.811 -6.331 4.001 1.00 0.00 H new ATOM 0 HB2 HIS A 105 12.789 -3.333 3.483 1.00 0.00 H new ATOM 0 HB3 HIS A 105 13.304 -3.990 5.024 1.00 0.00 H new ATOM 0 HD2 HIS A 105 14.640 -3.453 1.467 1.00 0.00 H new ATOM 0 HE1 HIS A 105 17.623 -5.583 3.552 1.00 0.00 H new ATOM 0 HE2 HIS A 105 17.128 -4.314 1.400 1.00 0.00 H new ATOM 1584 N LEU A 106 10.110 -4.453 4.373 1.00 0.00 N ATOM 1585 CA LEU A 106 8.943 -4.262 5.242 1.00 0.00 C ATOM 1586 C LEU A 106 7.861 -5.330 5.038 1.00 0.00 C ATOM 1587 O LEU A 106 7.048 -5.568 5.933 1.00 0.00 O ATOM 1588 CB LEU A 106 8.346 -2.858 5.069 1.00 0.00 C ATOM 1589 CG LEU A 106 7.768 -2.256 6.357 1.00 0.00 C ATOM 1590 CD1 LEU A 106 8.630 -1.100 6.840 1.00 0.00 C ATOM 1591 CD2 LEU A 106 6.333 -1.801 6.151 1.00 0.00 C ATOM 0 H LEU A 106 10.093 -3.911 3.509 1.00 0.00 H new ATOM 0 HA LEU A 106 9.308 -4.369 6.264 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.119 -2.192 4.685 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.559 -2.901 4.316 1.00 0.00 H new ATOM 0 HG LEU A 106 7.769 -3.033 7.122 1.00 0.00 H new ATOM 0 HD11 LEU A 106 8.204 -0.686 7.754 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.640 -1.458 7.040 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.664 -0.326 6.073 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.948 -1.379 7.079 1.00 0.00 H new ATOM 0 HD22 LEU A 106 6.300 -1.044 5.367 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.720 -2.653 5.859 1.00 0.00 H new ATOM 1603 N ILE A 107 7.846 -5.968 3.869 1.00 0.00 N ATOM 1604 CA ILE A 107 6.845 -6.996 3.564 1.00 0.00 C ATOM 1605 C ILE A 107 6.992 -8.218 4.480 1.00 0.00 C ATOM 1606 O ILE A 107 6.047 -8.988 4.663 1.00 0.00 O ATOM 1607 CB ILE A 107 6.899 -7.428 2.073 1.00 0.00 C ATOM 1608 CG1 ILE A 107 5.549 -7.988 1.625 1.00 0.00 C ATOM 1609 CG2 ILE A 107 7.998 -8.455 1.828 1.00 0.00 C ATOM 1610 CD1 ILE A 107 5.399 -8.069 0.120 1.00 0.00 C ATOM 0 H ILE A 107 8.513 -5.794 3.117 1.00 0.00 H new ATOM 0 HA ILE A 107 5.869 -6.547 3.750 1.00 0.00 H new ATOM 0 HB ILE A 107 7.128 -6.540 1.483 1.00 0.00 H new ATOM 0 HG12 ILE A 107 5.418 -8.983 2.049 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.753 -7.362 2.029 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.007 -8.734 0.774 1.00 0.00 H new ATOM 0 HG22 ILE A 107 8.963 -8.026 2.098 1.00 0.00 H new ATOM 0 HG23 ILE A 107 7.811 -9.340 2.436 1.00 0.00 H new ATOM 0 HD11 ILE A 107 4.418 -8.475 -0.127 1.00 0.00 H new ATOM 0 HD12 ILE A 107 5.498 -7.072 -0.310 1.00 0.00 H new ATOM 0 HD13 ILE A 107 6.173 -8.718 -0.288 1.00 0.00 H new ATOM 1622 N THR A 108 8.178 -8.380 5.067 1.00 0.00 N ATOM 1623 CA THR A 108 8.451 -9.499 5.963 1.00 0.00 C ATOM 1624 C THR A 108 7.668 -9.371 7.274 1.00 0.00 C ATOM 1625 O THR A 108 7.513 -10.348 8.009 1.00 0.00 O ATOM 1626 CB THR A 108 9.956 -9.607 6.288 1.00 0.00 C ATOM 1627 OG1 THR A 108 10.411 -8.409 6.930 1.00 0.00 O ATOM 1628 CG2 THR A 108 10.769 -9.851 5.024 1.00 0.00 C ATOM 0 H THR A 108 8.967 -7.746 4.936 1.00 0.00 H new ATOM 0 HA THR A 108 8.131 -10.401 5.441 1.00 0.00 H new ATOM 0 HB THR A 108 10.096 -10.453 6.961 1.00 0.00 H new ATOM 0 HG1 THR A 108 10.575 -7.718 6.255 1.00 0.00 H new ATOM 0 HG21 THR A 108 11.826 -9.923 5.280 1.00 0.00 H new ATOM 0 HG22 THR A 108 10.444 -10.781 4.556 1.00 0.00 H new ATOM 0 HG23 THR A 108 10.619 -9.024 4.330 1.00 0.00 H new ATOM 1636 N ASN A 109 7.166 -8.166 7.550 1.00 0.00 N ATOM 1637 CA ASN A 109 6.399 -7.906 8.770 1.00 0.00 C ATOM 1638 C ASN A 109 5.017 -8.558 8.715 1.00 0.00 C ATOM 1639 O ASN A 109 4.336 -8.657 9.736 1.00 0.00 O ATOM 1640 CB ASN A 109 6.250 -6.399 9.002 1.00 0.00 C ATOM 1641 CG ASN A 109 7.546 -5.743 9.436 1.00 0.00 C ATOM 1642 OD1 ASN A 109 8.452 -6.402 9.942 1.00 0.00 O ATOM 1643 ND2 ASN A 109 7.643 -4.434 9.242 1.00 0.00 N ATOM 0 H ASN A 109 7.277 -7.353 6.944 1.00 0.00 H new ATOM 0 HA ASN A 109 6.951 -8.345 9.601 1.00 0.00 H new ATOM 0 HB2 ASN A 109 5.898 -5.927 8.084 1.00 0.00 H new ATOM 0 HB3 ASN A 109 5.488 -6.226 9.762 1.00 0.00 H new ATOM 0 HD21 ASN A 109 8.492 -3.939 9.516 1.00 0.00 H new ATOM 0 HD22 ASN A 109 6.869 -3.922 8.819 1.00 0.00 H new ATOM 1650 N TYR A 110 4.601 -8.977 7.521 1.00 0.00 N ATOM 1651 CA TYR A 110 3.304 -9.627 7.332 1.00 0.00 C ATOM 1652 C TYR A 110 3.201 -10.912 8.157 1.00 0.00 C ATOM 1653 O TYR A 110 2.215 -11.123 8.864 1.00 0.00 O ATOM 1654 CB TYR A 110 3.068 -9.921 5.843 1.00 0.00 C ATOM 1655 CG TYR A 110 1.854 -10.781 5.559 1.00 0.00 C ATOM 1656 CD1 TYR A 110 0.561 -10.290 5.721 1.00 0.00 C ATOM 1657 CD2 TYR A 110 2.003 -12.092 5.122 1.00 0.00 C ATOM 1658 CE1 TYR A 110 -0.539 -11.082 5.456 1.00 0.00 C ATOM 1659 CE2 TYR A 110 0.906 -12.886 4.857 1.00 0.00 C ATOM 1660 CZ TYR A 110 -0.361 -12.378 5.024 1.00 0.00 C ATOM 1661 OH TYR A 110 -1.455 -13.168 4.759 1.00 0.00 O ATOM 0 H TYR A 110 5.147 -8.877 6.665 1.00 0.00 H new ATOM 0 HA TYR A 110 2.530 -8.944 7.682 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.961 -8.976 5.311 1.00 0.00 H new ATOM 0 HB3 TYR A 110 3.951 -10.416 5.439 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.416 -9.275 6.059 1.00 0.00 H new ATOM 0 HD2 TYR A 110 2.995 -12.497 4.987 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -1.535 -10.687 5.587 1.00 0.00 H new ATOM 0 HE2 TYR A 110 1.042 -13.903 4.520 1.00 0.00 H new ATOM 0 HH TYR A 110 -1.155 -14.053 4.463 1.00 0.00 H new