USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 598 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 28 CYS SG : rot 100:sc= 0.0683 USER MOD Set 1.2: A 32 MET CE :methyl -151:sc= -0.0407 (180deg=-0.282) USER MOD Single : A 23 THR OG1 : rot -25:sc= 1.21 USER MOD Single : A 24 MET CE :methyl 177:sc= -1.09 (180deg=-1.25) USER MOD Single : A 27 GLN : amide:sc= -0.218 X(o=-0.22,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.504 K(o=-0.5,f=-3.4) USER MOD Single : A 36 SER OG : rot 180:sc= -0.311 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.1 X(o=-0.1,f=-0.1) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -152:sc= 1.17 (180deg=0.28) USER MOD Single : A 57 MET CE :methyl 162:sc= -1.07 (180deg=-2.13) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.561 USER MOD Single : A 72 THR OG1 : rot 144:sc= 1.06 USER MOD Single : A 74 SER OG : rot -90:sc= 0 USER MOD Single : A 76 THR OG1 : rot 77:sc= 0.483 USER MOD Single : A 79 GLN : amide:sc= -0.511 X(o=-0.51,f=-0.063) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1 X(o=-1,f=-1.5) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 270 N GLY A 20 13.950 7.664 1.802 1.00 0.00 N ATOM 271 CA GLY A 20 13.853 7.531 0.373 1.00 0.00 C ATOM 272 C GLY A 20 13.537 6.094 0.068 1.00 0.00 C ATOM 273 O GLY A 20 12.363 5.722 0.025 1.00 0.00 O ATOM 0 HA2 GLY A 20 13.075 8.185 -0.020 1.00 0.00 H new ATOM 0 HA3 GLY A 20 14.788 7.826 -0.103 1.00 0.00 H new ATOM 277 N PHE A 21 14.583 5.295 -0.105 1.00 0.00 N ATOM 278 CA PHE A 21 14.518 3.889 -0.444 1.00 0.00 C ATOM 279 C PHE A 21 15.589 3.150 0.347 1.00 0.00 C ATOM 280 O PHE A 21 16.651 3.711 0.622 1.00 0.00 O ATOM 281 CB PHE A 21 14.756 3.736 -1.955 1.00 0.00 C ATOM 282 CG PHE A 21 13.559 4.090 -2.814 1.00 0.00 C ATOM 283 CD1 PHE A 21 13.221 5.438 -3.035 1.00 0.00 C ATOM 284 CD2 PHE A 21 12.760 3.071 -3.367 1.00 0.00 C ATOM 285 CE1 PHE A 21 12.021 5.770 -3.682 1.00 0.00 C ATOM 286 CE2 PHE A 21 11.585 3.402 -4.061 1.00 0.00 C ATOM 287 CZ PHE A 21 11.186 4.748 -4.162 1.00 0.00 C ATOM 0 H PHE A 21 15.541 5.631 -0.007 1.00 0.00 H new ATOM 0 HA PHE A 21 13.542 3.471 -0.196 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.596 4.368 -2.244 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.046 2.706 -2.163 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.888 6.221 -2.705 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.050 2.037 -3.258 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.741 6.805 -3.810 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.989 2.625 -4.516 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.235 4.996 -4.610 1.00 0.00 H new ATOM 297 N VAL A 22 15.347 1.877 0.640 1.00 0.00 N ATOM 298 CA VAL A 22 16.337 0.941 1.171 1.00 0.00 C ATOM 299 C VAL A 22 16.301 -0.307 0.295 1.00 0.00 C ATOM 300 O VAL A 22 15.311 -0.519 -0.408 1.00 0.00 O ATOM 301 CB VAL A 22 15.970 0.620 2.630 1.00 0.00 C ATOM 302 CG1 VAL A 22 14.965 -0.526 2.775 1.00 0.00 C ATOM 303 CG2 VAL A 22 17.208 0.373 3.497 1.00 0.00 C ATOM 0 H VAL A 22 14.428 1.453 0.511 1.00 0.00 H new ATOM 0 HA VAL A 22 17.345 1.356 1.159 1.00 0.00 H new ATOM 0 HB VAL A 22 15.471 1.516 2.998 1.00 0.00 H new ATOM 0 HG11 VAL A 22 14.755 -0.694 3.831 1.00 0.00 H new ATOM 0 HG12 VAL A 22 14.041 -0.267 2.258 1.00 0.00 H new ATOM 0 HG13 VAL A 22 15.383 -1.434 2.339 1.00 0.00 H new ATOM 0 HG21 VAL A 22 16.899 0.150 4.518 1.00 0.00 H new ATOM 0 HG22 VAL A 22 17.770 -0.470 3.096 1.00 0.00 H new ATOM 0 HG23 VAL A 22 17.837 1.263 3.494 1.00 0.00 H new ATOM 313 N THR A 23 17.332 -1.139 0.364 1.00 0.00 N ATOM 314 CA THR A 23 17.304 -2.499 -0.153 1.00 0.00 C ATOM 315 C THR A 23 16.803 -3.418 0.964 1.00 0.00 C ATOM 316 O THR A 23 17.213 -3.258 2.116 1.00 0.00 O ATOM 317 CB THR A 23 18.719 -2.880 -0.604 1.00 0.00 C ATOM 318 OG1 THR A 23 19.293 -1.832 -1.353 1.00 0.00 O ATOM 319 CG2 THR A 23 18.744 -4.144 -1.462 1.00 0.00 C ATOM 0 H THR A 23 18.224 -0.883 0.787 1.00 0.00 H new ATOM 0 HA THR A 23 16.637 -2.592 -1.010 1.00 0.00 H new ATOM 0 HB THR A 23 19.288 -3.067 0.306 1.00 0.00 H new ATOM 0 HG1 THR A 23 18.583 -1.294 -1.760 1.00 0.00 H new ATOM 0 HG21 THR A 23 19.771 -4.366 -1.753 1.00 0.00 H new ATOM 0 HG22 THR A 23 18.340 -4.980 -0.891 1.00 0.00 H new ATOM 0 HG23 THR A 23 18.139 -3.989 -2.356 1.00 0.00 H new ATOM 327 N MET A 24 15.947 -4.394 0.656 1.00 0.00 N ATOM 328 CA MET A 24 15.727 -5.536 1.527 1.00 0.00 C ATOM 329 C MET A 24 16.369 -6.751 0.897 1.00 0.00 C ATOM 330 O MET A 24 16.568 -6.818 -0.320 1.00 0.00 O ATOM 331 CB MET A 24 14.250 -5.815 1.807 1.00 0.00 C ATOM 332 CG MET A 24 13.514 -4.563 2.257 1.00 0.00 C ATOM 333 SD MET A 24 11.810 -4.812 2.823 1.00 0.00 S ATOM 334 CE MET A 24 12.110 -6.030 4.133 1.00 0.00 C ATOM 0 H MET A 24 15.393 -4.410 -0.200 1.00 0.00 H new ATOM 0 HA MET A 24 16.178 -5.304 2.492 1.00 0.00 H new ATOM 0 HB2 MET A 24 13.778 -6.211 0.908 1.00 0.00 H new ATOM 0 HB3 MET A 24 14.165 -6.583 2.576 1.00 0.00 H new ATOM 0 HG2 MET A 24 14.082 -4.101 3.065 1.00 0.00 H new ATOM 0 HG3 MET A 24 13.502 -3.854 1.429 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.171 -6.264 4.634 1.00 0.00 H new ATOM 0 HE2 MET A 24 12.525 -6.939 3.697 1.00 0.00 H new ATOM 0 HE3 MET A 24 12.815 -5.620 4.856 1.00 0.00 H new ATOM 344 N ILE A 25 16.649 -7.714 1.758 1.00 0.00 N ATOM 345 CA ILE A 25 17.456 -8.891 1.467 1.00 0.00 C ATOM 346 C ILE A 25 16.582 -10.097 1.753 1.00 0.00 C ATOM 347 O ILE A 25 15.918 -10.137 2.790 1.00 0.00 O ATOM 348 CB ILE A 25 18.737 -8.918 2.336 1.00 0.00 C ATOM 349 CG1 ILE A 25 19.499 -7.576 2.390 1.00 0.00 C ATOM 350 CG2 ILE A 25 19.690 -10.062 1.934 1.00 0.00 C ATOM 351 CD1 ILE A 25 20.012 -7.029 1.053 1.00 0.00 C ATOM 0 H ILE A 25 16.307 -7.698 2.719 1.00 0.00 H new ATOM 0 HA ILE A 25 17.787 -8.886 0.429 1.00 0.00 H new ATOM 0 HB ILE A 25 18.372 -9.104 3.346 1.00 0.00 H new ATOM 0 HG12 ILE A 25 18.843 -6.828 2.836 1.00 0.00 H new ATOM 0 HG13 ILE A 25 20.350 -7.693 3.060 1.00 0.00 H new ATOM 0 HG21 ILE A 25 20.574 -10.040 2.571 1.00 0.00 H new ATOM 0 HG22 ILE A 25 19.181 -11.018 2.053 1.00 0.00 H new ATOM 0 HG23 ILE A 25 19.990 -9.937 0.894 1.00 0.00 H new ATOM 0 HD11 ILE A 25 20.529 -6.084 1.221 1.00 0.00 H new ATOM 0 HD12 ILE A 25 20.701 -7.746 0.607 1.00 0.00 H new ATOM 0 HD13 ILE A 25 19.171 -6.867 0.379 1.00 0.00 H new ATOM 363 N LEU A 26 16.602 -11.078 0.853 1.00 0.00 N ATOM 364 CA LEU A 26 15.828 -12.296 0.985 1.00 0.00 C ATOM 365 C LEU A 26 16.749 -13.504 0.977 1.00 0.00 C ATOM 366 O LEU A 26 17.526 -13.697 0.035 1.00 0.00 O ATOM 367 CB LEU A 26 14.775 -12.376 -0.135 1.00 0.00 C ATOM 368 CG LEU A 26 13.348 -12.457 0.418 1.00 0.00 C ATOM 369 CD1 LEU A 26 13.175 -13.686 1.291 1.00 0.00 C ATOM 370 CD2 LEU A 26 12.946 -11.133 1.088 1.00 0.00 C ATOM 0 H LEU A 26 17.165 -11.042 0.003 1.00 0.00 H new ATOM 0 HA LEU A 26 15.300 -12.288 1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.864 -11.501 -0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.973 -13.250 -0.756 1.00 0.00 H new ATOM 0 HG LEU A 26 12.645 -12.589 -0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.154 -13.721 1.672 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.374 -14.581 0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.873 -13.639 2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.929 -11.214 1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.629 -10.919 1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.994 -10.326 0.357 1.00 0.00 H new ATOM 382 N GLN A 27 16.649 -14.323 2.023 1.00 0.00 N ATOM 383 CA GLN A 27 17.456 -15.513 2.215 1.00 0.00 C ATOM 384 C GLN A 27 16.513 -16.695 2.263 1.00 0.00 C ATOM 385 O GLN A 27 15.802 -16.922 3.246 1.00 0.00 O ATOM 386 CB GLN A 27 18.259 -15.436 3.510 1.00 0.00 C ATOM 387 CG GLN A 27 19.260 -14.288 3.542 1.00 0.00 C ATOM 388 CD GLN A 27 20.504 -14.393 2.665 1.00 0.00 C ATOM 389 OE1 GLN A 27 21.207 -13.400 2.475 1.00 0.00 O ATOM 390 NE2 GLN A 27 20.866 -15.552 2.140 1.00 0.00 N ATOM 0 H GLN A 27 15.982 -14.166 2.779 1.00 0.00 H new ATOM 0 HA GLN A 27 18.170 -15.611 1.397 1.00 0.00 H new ATOM 0 HB2 GLN A 27 17.571 -15.330 4.348 1.00 0.00 H new ATOM 0 HB3 GLN A 27 18.792 -16.376 3.653 1.00 0.00 H new ATOM 0 HG2 GLN A 27 18.731 -13.377 3.262 1.00 0.00 H new ATOM 0 HG3 GLN A 27 19.589 -14.162 4.573 1.00 0.00 H new ATOM 0 HE21 GLN A 27 20.292 -16.382 2.290 1.00 0.00 H new ATOM 0 HE22 GLN A 27 21.719 -15.616 1.585 1.00 0.00 H new ATOM 399 N CYS A 28 16.528 -17.460 1.187 1.00 0.00 N ATOM 400 CA CYS A 28 15.948 -18.795 1.191 1.00 0.00 C ATOM 401 C CYS A 28 17.049 -19.800 1.534 1.00 0.00 C ATOM 402 O CYS A 28 18.240 -19.541 1.332 1.00 0.00 O ATOM 403 CB CYS A 28 15.250 -19.085 -0.147 1.00 0.00 C ATOM 404 SG CYS A 28 16.309 -18.737 -1.576 1.00 0.00 S ATOM 0 H CYS A 28 16.936 -17.181 0.295 1.00 0.00 H new ATOM 0 HA CYS A 28 15.171 -18.879 1.951 1.00 0.00 H new ATOM 0 HB2 CYS A 28 14.943 -20.131 -0.173 1.00 0.00 H new ATOM 0 HB3 CYS A 28 14.343 -18.485 -0.217 1.00 0.00 H new ATOM 0 HG CYS A 28 16.823 -19.847 -2.016 1.00 0.00 H new ATOM 410 N SER A 29 16.654 -20.971 2.024 1.00 0.00 N ATOM 411 CA SER A 29 17.587 -22.028 2.393 1.00 0.00 C ATOM 412 C SER A 29 17.828 -23.014 1.227 1.00 0.00 C ATOM 413 O SER A 29 18.513 -24.026 1.407 1.00 0.00 O ATOM 414 CB SER A 29 17.049 -22.700 3.665 1.00 0.00 C ATOM 415 OG SER A 29 18.088 -23.150 4.518 1.00 0.00 O ATOM 0 H SER A 29 15.675 -21.213 2.176 1.00 0.00 H new ATOM 0 HA SER A 29 18.573 -21.614 2.605 1.00 0.00 H new ATOM 0 HB2 SER A 29 16.418 -21.995 4.206 1.00 0.00 H new ATOM 0 HB3 SER A 29 16.418 -23.545 3.388 1.00 0.00 H new ATOM 0 HG SER A 29 17.699 -23.569 5.314 1.00 0.00 H new ATOM 421 N ILE A 30 17.262 -22.771 0.039 1.00 0.00 N ATOM 422 CA ILE A 30 17.229 -23.667 -1.122 1.00 0.00 C ATOM 423 C ILE A 30 17.319 -22.831 -2.412 1.00 0.00 C ATOM 424 O ILE A 30 17.342 -21.599 -2.345 1.00 0.00 O ATOM 425 CB ILE A 30 15.951 -24.550 -1.109 1.00 0.00 C ATOM 426 CG1 ILE A 30 14.651 -23.769 -1.416 1.00 0.00 C ATOM 427 CG2 ILE A 30 15.792 -25.326 0.214 1.00 0.00 C ATOM 428 CD1 ILE A 30 13.519 -24.691 -1.893 1.00 0.00 C ATOM 0 H ILE A 30 16.785 -21.889 -0.148 1.00 0.00 H new ATOM 0 HA ILE A 30 18.084 -24.342 -1.078 1.00 0.00 H new ATOM 0 HB ILE A 30 16.101 -25.261 -1.921 1.00 0.00 H new ATOM 0 HG12 ILE A 30 14.330 -23.235 -0.521 1.00 0.00 H new ATOM 0 HG13 ILE A 30 14.852 -23.018 -2.180 1.00 0.00 H new ATOM 0 HG21 ILE A 30 14.885 -25.929 0.175 1.00 0.00 H new ATOM 0 HG22 ILE A 30 16.654 -25.977 0.360 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.725 -24.622 1.043 1.00 0.00 H new ATOM 0 HD11 ILE A 30 12.628 -24.098 -2.096 1.00 0.00 H new ATOM 0 HD12 ILE A 30 13.828 -25.205 -2.803 1.00 0.00 H new ATOM 0 HD13 ILE A 30 13.297 -25.426 -1.119 1.00 0.00 H new ATOM 440 N GLU A 31 17.347 -23.487 -3.577 1.00 0.00 N ATOM 441 CA GLU A 31 17.348 -22.846 -4.883 1.00 0.00 C ATOM 442 C GLU A 31 16.029 -22.149 -5.203 1.00 0.00 C ATOM 443 O GLU A 31 14.948 -22.658 -4.903 1.00 0.00 O ATOM 444 CB GLU A 31 17.642 -23.893 -5.978 1.00 0.00 C ATOM 445 CG GLU A 31 19.071 -23.813 -6.528 1.00 0.00 C ATOM 446 CD GLU A 31 20.065 -24.759 -5.854 1.00 0.00 C ATOM 447 OE1 GLU A 31 19.986 -24.945 -4.622 1.00 0.00 O ATOM 448 OE2 GLU A 31 20.916 -25.318 -6.592 1.00 0.00 O ATOM 0 H GLU A 31 17.370 -24.505 -3.632 1.00 0.00 H new ATOM 0 HA GLU A 31 18.126 -22.083 -4.858 1.00 0.00 H new ATOM 0 HB2 GLU A 31 17.472 -24.890 -5.572 1.00 0.00 H new ATOM 0 HB3 GLU A 31 16.937 -23.758 -6.798 1.00 0.00 H new ATOM 0 HG2 GLU A 31 19.048 -24.031 -7.596 1.00 0.00 H new ATOM 0 HG3 GLU A 31 19.432 -22.790 -6.419 1.00 0.00 H new ATOM 455 N MET A 32 16.149 -21.051 -5.948 1.00 0.00 N ATOM 456 CA MET A 32 15.087 -20.350 -6.642 1.00 0.00 C ATOM 457 C MET A 32 15.333 -20.421 -8.158 1.00 0.00 C ATOM 458 O MET A 32 16.045 -19.569 -8.690 1.00 0.00 O ATOM 459 CB MET A 32 14.993 -18.901 -6.161 1.00 0.00 C ATOM 460 CG MET A 32 14.505 -18.790 -4.723 1.00 0.00 C ATOM 461 SD MET A 32 14.059 -17.101 -4.251 1.00 0.00 S ATOM 462 CE MET A 32 15.664 -16.266 -4.239 1.00 0.00 C ATOM 0 H MET A 32 17.055 -20.603 -6.088 1.00 0.00 H new ATOM 0 HA MET A 32 14.133 -20.829 -6.421 1.00 0.00 H new ATOM 0 HB2 MET A 32 15.972 -18.430 -6.245 1.00 0.00 H new ATOM 0 HB3 MET A 32 14.317 -18.349 -6.814 1.00 0.00 H new ATOM 0 HG2 MET A 32 13.639 -19.439 -4.589 1.00 0.00 H new ATOM 0 HG3 MET A 32 15.283 -19.154 -4.053 1.00 0.00 H new ATOM 0 HE1 MET A 32 15.644 -15.449 -3.518 1.00 0.00 H new ATOM 0 HE2 MET A 32 16.442 -16.977 -3.960 1.00 0.00 H new ATOM 0 HE3 MET A 32 15.875 -15.868 -5.232 1.00 0.00 H new ATOM 472 N PRO A 33 14.887 -21.468 -8.879 1.00 0.00 N ATOM 473 CA PRO A 33 15.010 -21.532 -10.341 1.00 0.00 C ATOM 474 C PRO A 33 14.164 -20.475 -11.071 1.00 0.00 C ATOM 475 O PRO A 33 14.332 -20.249 -12.275 1.00 0.00 O ATOM 476 CB PRO A 33 14.587 -22.951 -10.719 1.00 0.00 C ATOM 477 CG PRO A 33 13.623 -23.339 -9.603 1.00 0.00 C ATOM 478 CD PRO A 33 14.247 -22.672 -8.377 1.00 0.00 C ATOM 0 HA PRO A 33 16.032 -21.310 -10.648 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.104 -22.980 -11.696 1.00 0.00 H new ATOM 0 HB3 PRO A 33 15.441 -23.626 -10.766 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.614 -22.974 -9.794 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.554 -24.420 -9.485 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.489 -22.433 -7.631 1.00 0.00 H new ATOM 0 HD3 PRO A 33 14.970 -23.331 -7.896 1.00 0.00 H new ATOM 486 N ASN A 34 13.260 -19.796 -10.363 1.00 0.00 N ATOM 487 CA ASN A 34 12.587 -18.604 -10.851 1.00 0.00 C ATOM 488 C ASN A 34 12.393 -17.612 -9.726 1.00 0.00 C ATOM 489 O ASN A 34 12.311 -17.981 -8.559 1.00 0.00 O ATOM 490 CB ASN A 34 11.244 -18.932 -11.520 1.00 0.00 C ATOM 491 CG ASN A 34 10.266 -19.616 -10.576 1.00 0.00 C ATOM 492 OD1 ASN A 34 9.748 -19.020 -9.640 1.00 0.00 O ATOM 493 ND2 ASN A 34 10.036 -20.899 -10.765 1.00 0.00 N ATOM 0 H ASN A 34 12.975 -20.067 -9.422 1.00 0.00 H new ATOM 0 HA ASN A 34 13.225 -18.157 -11.613 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.796 -18.012 -11.895 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.420 -19.576 -12.382 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.421 -21.406 -10.128 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.473 -21.385 -11.548 1.00 0.00 H new ATOM 500 N ILE A 35 12.305 -16.352 -10.128 1.00 0.00 N ATOM 501 CA ILE A 35 12.121 -15.189 -9.276 1.00 0.00 C ATOM 502 C ILE A 35 10.741 -15.180 -8.602 1.00 0.00 C ATOM 503 O ILE A 35 10.582 -14.663 -7.497 1.00 0.00 O ATOM 504 CB ILE A 35 12.427 -13.945 -10.137 1.00 0.00 C ATOM 505 CG1 ILE A 35 12.567 -12.674 -9.283 1.00 0.00 C ATOM 506 CG2 ILE A 35 11.448 -13.789 -11.312 1.00 0.00 C ATOM 507 CD1 ILE A 35 13.294 -11.549 -10.035 1.00 0.00 C ATOM 0 H ILE A 35 12.364 -16.101 -11.115 1.00 0.00 H new ATOM 0 HA ILE A 35 12.809 -15.203 -8.431 1.00 0.00 H new ATOM 0 HB ILE A 35 13.403 -14.105 -10.595 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.578 -12.329 -8.983 1.00 0.00 H new ATOM 0 HG13 ILE A 35 13.113 -12.910 -8.369 1.00 0.00 H new ATOM 0 HG21 ILE A 35 11.707 -12.899 -11.886 1.00 0.00 H new ATOM 0 HG22 ILE A 35 11.509 -14.666 -11.956 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.432 -13.691 -10.929 1.00 0.00 H new ATOM 0 HD11 ILE A 35 13.369 -10.672 -9.393 1.00 0.00 H new ATOM 0 HD12 ILE A 35 14.294 -11.883 -10.312 1.00 0.00 H new ATOM 0 HD13 ILE A 35 12.735 -11.293 -10.935 1.00 0.00 H new ATOM 519 N SER A 36 9.746 -15.824 -9.223 1.00 0.00 N ATOM 520 CA SER A 36 8.419 -15.990 -8.656 1.00 0.00 C ATOM 521 C SER A 36 8.468 -16.695 -7.291 1.00 0.00 C ATOM 522 O SER A 36 7.605 -16.409 -6.469 1.00 0.00 O ATOM 523 CB SER A 36 7.522 -16.682 -9.694 1.00 0.00 C ATOM 524 OG SER A 36 6.365 -17.291 -9.161 1.00 0.00 O ATOM 0 H SER A 36 9.850 -16.247 -10.145 1.00 0.00 H new ATOM 0 HA SER A 36 7.977 -15.018 -8.438 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.219 -15.947 -10.440 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.108 -17.440 -10.214 1.00 0.00 H new ATOM 0 HG SER A 36 5.851 -17.706 -9.885 1.00 0.00 H new ATOM 530 N TYR A 37 9.474 -17.531 -6.984 1.00 0.00 N ATOM 531 CA TYR A 37 9.652 -18.097 -5.647 1.00 0.00 C ATOM 532 C TYR A 37 9.643 -16.994 -4.585 1.00 0.00 C ATOM 533 O TYR A 37 8.916 -17.090 -3.601 1.00 0.00 O ATOM 534 CB TYR A 37 10.981 -18.862 -5.559 1.00 0.00 C ATOM 535 CG TYR A 37 10.924 -20.351 -5.824 1.00 0.00 C ATOM 536 CD1 TYR A 37 10.991 -20.853 -7.136 1.00 0.00 C ATOM 537 CD2 TYR A 37 10.874 -21.242 -4.734 1.00 0.00 C ATOM 538 CE1 TYR A 37 10.983 -22.239 -7.364 1.00 0.00 C ATOM 539 CE2 TYR A 37 10.942 -22.627 -4.948 1.00 0.00 C ATOM 540 CZ TYR A 37 11.002 -23.126 -6.265 1.00 0.00 C ATOM 541 OH TYR A 37 11.162 -24.460 -6.455 1.00 0.00 O ATOM 0 H TYR A 37 10.181 -17.829 -7.656 1.00 0.00 H new ATOM 0 HA TYR A 37 8.824 -18.781 -5.464 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.678 -18.416 -6.268 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.397 -18.709 -4.563 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.049 -20.171 -7.971 1.00 0.00 H new ATOM 0 HD2 TYR A 37 10.783 -20.857 -3.729 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.962 -22.624 -8.373 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.948 -23.307 -4.109 1.00 0.00 H new ATOM 0 HH TYR A 37 11.152 -24.917 -5.588 1.00 0.00 H new ATOM 551 N ALA A 38 10.469 -15.961 -4.763 1.00 0.00 N ATOM 552 CA ALA A 38 10.599 -14.913 -3.765 1.00 0.00 C ATOM 553 C ALA A 38 9.328 -14.075 -3.705 1.00 0.00 C ATOM 554 O ALA A 38 8.834 -13.777 -2.615 1.00 0.00 O ATOM 555 CB ALA A 38 11.796 -14.032 -4.104 1.00 0.00 C ATOM 0 H ALA A 38 11.054 -15.833 -5.589 1.00 0.00 H new ATOM 0 HA ALA A 38 10.755 -15.370 -2.788 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.893 -13.246 -3.355 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.702 -14.638 -4.114 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.650 -13.582 -5.086 1.00 0.00 H new ATOM 561 N TRP A 39 8.807 -13.699 -4.876 1.00 0.00 N ATOM 562 CA TRP A 39 7.580 -12.931 -4.963 1.00 0.00 C ATOM 563 C TRP A 39 6.445 -13.623 -4.242 1.00 0.00 C ATOM 564 O TRP A 39 5.762 -12.943 -3.495 1.00 0.00 O ATOM 565 CB TRP A 39 7.194 -12.678 -6.417 1.00 0.00 C ATOM 566 CG TRP A 39 7.949 -11.563 -7.038 1.00 0.00 C ATOM 567 CD1 TRP A 39 8.773 -11.671 -8.102 1.00 0.00 C ATOM 568 CD2 TRP A 39 8.028 -10.181 -6.584 1.00 0.00 C ATOM 569 NE1 TRP A 39 9.339 -10.442 -8.354 1.00 0.00 N ATOM 570 CE2 TRP A 39 8.964 -9.506 -7.420 1.00 0.00 C ATOM 571 CE3 TRP A 39 7.443 -9.445 -5.522 1.00 0.00 C ATOM 572 CZ2 TRP A 39 9.357 -8.186 -7.179 1.00 0.00 C ATOM 573 CZ3 TRP A 39 7.851 -8.123 -5.259 1.00 0.00 C ATOM 574 CH2 TRP A 39 8.829 -7.542 -6.060 1.00 0.00 C ATOM 0 H TRP A 39 9.226 -13.920 -5.779 1.00 0.00 H new ATOM 0 HA TRP A 39 7.764 -11.973 -4.477 1.00 0.00 H new ATOM 0 HB2 TRP A 39 7.362 -13.587 -6.994 1.00 0.00 H new ATOM 0 HB3 TRP A 39 6.127 -12.460 -6.470 1.00 0.00 H new ATOM 0 HD1 TRP A 39 8.958 -12.575 -8.664 1.00 0.00 H new ATOM 0 HE1 TRP A 39 9.961 -10.249 -9.139 1.00 0.00 H new ATOM 0 HE3 TRP A 39 6.679 -9.902 -4.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 10.047 -7.681 -7.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 7.410 -7.567 -4.445 1.00 0.00 H new ATOM 0 HH2 TRP A 39 9.192 -6.557 -5.806 1.00 0.00 H new ATOM 585 N LYS A 40 6.258 -14.927 -4.451 1.00 0.00 N ATOM 586 CA LYS A 40 5.218 -15.720 -3.810 1.00 0.00 C ATOM 587 C LYS A 40 5.230 -15.481 -2.315 1.00 0.00 C ATOM 588 O LYS A 40 4.266 -14.931 -1.803 1.00 0.00 O ATOM 589 CB LYS A 40 5.395 -17.199 -4.154 1.00 0.00 C ATOM 590 CG LYS A 40 4.778 -17.506 -5.521 1.00 0.00 C ATOM 591 CD LYS A 40 5.233 -18.890 -5.958 1.00 0.00 C ATOM 592 CE LYS A 40 4.539 -19.308 -7.254 1.00 0.00 C ATOM 593 NZ LYS A 40 5.078 -20.598 -7.723 1.00 0.00 N ATOM 0 H LYS A 40 6.842 -15.470 -5.087 1.00 0.00 H new ATOM 0 HA LYS A 40 4.242 -15.411 -4.185 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.455 -17.453 -4.161 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.924 -17.816 -3.389 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.690 -17.466 -5.463 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.086 -16.758 -6.252 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.313 -18.893 -6.102 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.014 -19.614 -5.173 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.465 -19.392 -7.090 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.686 -18.544 -8.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.600 -20.874 -8.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.099 -20.505 -7.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.915 -21.326 -6.998 1.00 0.00 H new ATOM 607 N GLU A 41 6.322 -15.832 -1.637 1.00 0.00 N ATOM 608 CA GLU A 41 6.397 -15.763 -0.179 1.00 0.00 C ATOM 609 C GLU A 41 6.060 -14.354 0.314 1.00 0.00 C ATOM 610 O GLU A 41 5.193 -14.168 1.170 1.00 0.00 O ATOM 611 CB GLU A 41 7.793 -16.218 0.295 1.00 0.00 C ATOM 612 CG GLU A 41 7.712 -17.347 1.334 1.00 0.00 C ATOM 613 CD GLU A 41 7.271 -18.703 0.755 1.00 0.00 C ATOM 614 OE1 GLU A 41 6.731 -18.777 -0.375 1.00 0.00 O ATOM 615 OE2 GLU A 41 7.464 -19.738 1.430 1.00 0.00 O ATOM 0 H GLU A 41 7.176 -16.171 -2.081 1.00 0.00 H new ATOM 0 HA GLU A 41 5.658 -16.439 0.251 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.374 -16.557 -0.563 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.324 -15.368 0.724 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.689 -17.465 1.804 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.014 -17.055 2.119 1.00 0.00 H new ATOM 622 N LEU A 42 6.723 -13.345 -0.259 1.00 0.00 N ATOM 623 CA LEU A 42 6.477 -11.954 0.095 1.00 0.00 C ATOM 624 C LEU A 42 5.034 -11.529 -0.136 1.00 0.00 C ATOM 625 O LEU A 42 4.464 -10.861 0.718 1.00 0.00 O ATOM 626 CB LEU A 42 7.412 -11.032 -0.691 1.00 0.00 C ATOM 627 CG LEU A 42 8.804 -10.988 -0.053 1.00 0.00 C ATOM 628 CD1 LEU A 42 9.791 -10.400 -1.057 1.00 0.00 C ATOM 629 CD2 LEU A 42 8.813 -10.135 1.212 1.00 0.00 C ATOM 0 H LEU A 42 7.438 -13.473 -0.975 1.00 0.00 H new ATOM 0 HA LEU A 42 6.675 -11.868 1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.491 -11.381 -1.721 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.992 -10.027 -0.726 1.00 0.00 H new ATOM 0 HG LEU A 42 9.088 -12.004 0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.785 -10.365 -0.612 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.816 -11.023 -1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.478 -9.391 -1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.816 -10.126 1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.514 -9.116 0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.115 -10.552 1.937 1.00 0.00 H new ATOM 641 N LYS A 43 4.456 -11.870 -1.284 1.00 0.00 N ATOM 642 CA LYS A 43 3.082 -11.544 -1.640 1.00 0.00 C ATOM 643 C LYS A 43 2.108 -12.234 -0.697 1.00 0.00 C ATOM 644 O LYS A 43 1.093 -11.633 -0.351 1.00 0.00 O ATOM 645 CB LYS A 43 2.820 -11.980 -3.086 1.00 0.00 C ATOM 646 CG LYS A 43 3.364 -10.959 -4.100 1.00 0.00 C ATOM 647 CD LYS A 43 3.158 -11.459 -5.533 1.00 0.00 C ATOM 648 CE LYS A 43 3.739 -10.474 -6.554 1.00 0.00 C ATOM 649 NZ LYS A 43 3.330 -10.813 -7.935 1.00 0.00 N ATOM 0 H LYS A 43 4.944 -12.394 -2.010 1.00 0.00 H new ATOM 0 HA LYS A 43 2.934 -10.468 -1.552 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.285 -12.950 -3.263 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.748 -12.107 -3.238 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.859 -10.002 -3.967 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.425 -10.788 -3.918 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.633 -12.433 -5.653 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.094 -11.598 -5.723 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.408 -9.464 -6.314 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.827 -10.478 -6.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.742 -10.125 -8.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.668 -11.768 -8.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.293 -10.785 -8.007 1.00 0.00 H new ATOM 663 N GLU A 44 2.400 -13.464 -0.282 1.00 0.00 N ATOM 664 CA GLU A 44 1.588 -14.233 0.643 1.00 0.00 C ATOM 665 C GLU A 44 1.460 -13.474 1.964 1.00 0.00 C ATOM 666 O GLU A 44 0.340 -13.313 2.442 1.00 0.00 O ATOM 667 CB GLU A 44 2.187 -15.640 0.817 1.00 0.00 C ATOM 668 CG GLU A 44 1.190 -16.763 0.481 1.00 0.00 C ATOM 669 CD GLU A 44 0.307 -17.147 1.667 1.00 0.00 C ATOM 670 OE1 GLU A 44 0.882 -17.538 2.712 1.00 0.00 O ATOM 671 OE2 GLU A 44 -0.937 -17.125 1.539 1.00 0.00 O ATOM 0 H GLU A 44 3.234 -13.963 -0.592 1.00 0.00 H new ATOM 0 HA GLU A 44 0.581 -14.364 0.247 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.064 -15.737 0.178 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.527 -15.759 1.846 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.558 -16.445 -0.348 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.740 -17.642 0.144 1.00 0.00 H new ATOM 678 N GLN A 45 2.565 -12.945 2.505 1.00 0.00 N ATOM 679 CA GLN A 45 2.530 -12.122 3.712 1.00 0.00 C ATOM 680 C GLN A 45 1.943 -10.731 3.439 1.00 0.00 C ATOM 681 O GLN A 45 0.949 -10.340 4.044 1.00 0.00 O ATOM 682 CB GLN A 45 3.942 -11.979 4.313 1.00 0.00 C ATOM 683 CG GLN A 45 4.594 -13.283 4.792 1.00 0.00 C ATOM 684 CD GLN A 45 3.739 -14.099 5.755 1.00 0.00 C ATOM 685 OE1 GLN A 45 3.686 -15.319 5.638 1.00 0.00 O ATOM 686 NE2 GLN A 45 3.089 -13.484 6.729 1.00 0.00 N ATOM 0 H GLN A 45 3.500 -13.076 2.119 1.00 0.00 H new ATOM 0 HA GLN A 45 1.881 -12.629 4.426 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.591 -11.523 3.566 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.891 -11.289 5.155 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.828 -13.898 3.923 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.540 -13.045 5.278 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.141 -12.469 6.815 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.536 -14.025 7.394 1.00 0.00 H new ATOM 695 N LEU A 46 2.599 -9.945 2.584 1.00 0.00 N ATOM 696 CA LEU A 46 2.407 -8.501 2.453 1.00 0.00 C ATOM 697 C LEU A 46 1.125 -8.134 1.708 1.00 0.00 C ATOM 698 O LEU A 46 0.783 -6.954 1.644 1.00 0.00 O ATOM 699 CB LEU A 46 3.597 -7.881 1.690 1.00 0.00 C ATOM 700 CG LEU A 46 4.985 -8.020 2.348 1.00 0.00 C ATOM 701 CD1 LEU A 46 6.051 -7.469 1.400 1.00 0.00 C ATOM 702 CD2 LEU A 46 5.021 -7.380 3.724 1.00 0.00 C ATOM 0 H LEU A 46 3.303 -10.309 1.942 1.00 0.00 H new ATOM 0 HA LEU A 46 2.335 -8.108 3.467 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.642 -8.336 0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.393 -6.820 1.544 1.00 0.00 H new ATOM 0 HG LEU A 46 5.202 -9.075 2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.034 -7.566 1.862 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.032 -8.030 0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.848 -6.418 1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.015 -7.499 4.155 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.787 -6.319 3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.286 -7.862 4.369 1.00 0.00 H new ATOM 714 N GLY A 47 0.423 -9.098 1.116 1.00 0.00 N ATOM 715 CA GLY A 47 -0.635 -8.826 0.161 1.00 0.00 C ATOM 716 C GLY A 47 -0.047 -8.822 -1.246 1.00 0.00 C ATOM 717 O GLY A 47 1.082 -8.368 -1.469 1.00 0.00 O ATOM 0 H GLY A 47 0.577 -10.091 1.290 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.416 -9.582 0.240 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.099 -7.864 0.378 1.00 0.00 H new ATOM 721 N GLU A 48 -0.819 -9.310 -2.213 1.00 0.00 N ATOM 722 CA GLU A 48 -0.281 -9.742 -3.492 1.00 0.00 C ATOM 723 C GLU A 48 0.175 -8.595 -4.396 1.00 0.00 C ATOM 724 O GLU A 48 0.936 -8.826 -5.335 1.00 0.00 O ATOM 725 CB GLU A 48 -1.301 -10.668 -4.178 1.00 0.00 C ATOM 726 CG GLU A 48 -0.809 -12.121 -4.116 1.00 0.00 C ATOM 727 CD GLU A 48 -1.824 -13.152 -4.605 1.00 0.00 C ATOM 728 OE1 GLU A 48 -3.001 -13.111 -4.182 1.00 0.00 O ATOM 729 OE2 GLU A 48 -1.420 -14.090 -5.326 1.00 0.00 O ATOM 0 H GLU A 48 -1.830 -9.415 -2.129 1.00 0.00 H new ATOM 0 HA GLU A 48 0.636 -10.298 -3.297 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.271 -10.582 -3.688 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.440 -10.366 -5.216 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.098 -12.210 -4.714 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.537 -12.356 -3.087 1.00 0.00 H new ATOM 736 N GLU A 49 -0.226 -7.358 -4.117 1.00 0.00 N ATOM 737 CA GLU A 49 -0.013 -6.204 -4.987 1.00 0.00 C ATOM 738 C GLU A 49 1.216 -5.389 -4.548 1.00 0.00 C ATOM 739 O GLU A 49 1.369 -4.232 -4.948 1.00 0.00 O ATOM 740 CB GLU A 49 -1.315 -5.379 -5.033 1.00 0.00 C ATOM 741 CG GLU A 49 -2.454 -6.161 -5.718 1.00 0.00 C ATOM 742 CD GLU A 49 -3.810 -5.456 -5.683 1.00 0.00 C ATOM 743 OE1 GLU A 49 -4.077 -4.654 -4.765 1.00 0.00 O ATOM 744 OE2 GLU A 49 -4.682 -5.779 -6.525 1.00 0.00 O ATOM 0 H GLU A 49 -0.721 -7.124 -3.257 1.00 0.00 H new ATOM 0 HA GLU A 49 0.215 -6.531 -6.001 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.614 -5.112 -4.019 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.138 -4.447 -5.570 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.180 -6.344 -6.757 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.551 -7.134 -5.237 1.00 0.00 H new ATOM 751 N ILE A 50 2.101 -5.951 -3.709 1.00 0.00 N ATOM 752 CA ILE A 50 3.326 -5.281 -3.263 1.00 0.00 C ATOM 753 C ILE A 50 4.192 -4.861 -4.460 1.00 0.00 C ATOM 754 O ILE A 50 4.885 -3.843 -4.400 1.00 0.00 O ATOM 755 CB ILE A 50 4.097 -6.182 -2.266 1.00 0.00 C ATOM 756 CG1 ILE A 50 5.327 -5.458 -1.673 1.00 0.00 C ATOM 757 CG2 ILE A 50 4.528 -7.528 -2.873 1.00 0.00 C ATOM 758 CD1 ILE A 50 4.910 -4.504 -0.548 1.00 0.00 C ATOM 0 H ILE A 50 1.983 -6.887 -3.321 1.00 0.00 H new ATOM 0 HA ILE A 50 3.056 -4.366 -2.737 1.00 0.00 H new ATOM 0 HB ILE A 50 3.389 -6.396 -1.465 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.036 -6.192 -1.289 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.839 -4.900 -2.457 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.063 -8.111 -2.123 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.646 -8.079 -3.200 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.181 -7.349 -3.727 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.793 -4.006 -0.147 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.220 -3.757 -0.941 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.420 -5.069 0.245 1.00 0.00 H new ATOM 770 N ASP A 51 4.121 -5.618 -5.560 1.00 0.00 N ATOM 771 CA ASP A 51 4.964 -5.485 -6.749 1.00 0.00 C ATOM 772 C ASP A 51 4.922 -4.095 -7.399 1.00 0.00 C ATOM 773 O ASP A 51 5.806 -3.761 -8.184 1.00 0.00 O ATOM 774 CB ASP A 51 4.632 -6.570 -7.774 1.00 0.00 C ATOM 775 CG ASP A 51 3.311 -6.320 -8.493 1.00 0.00 C ATOM 776 OD1 ASP A 51 3.245 -5.485 -9.418 1.00 0.00 O ATOM 777 OD2 ASP A 51 2.325 -7.024 -8.175 1.00 0.00 O ATOM 0 H ASP A 51 3.442 -6.374 -5.648 1.00 0.00 H new ATOM 0 HA ASP A 51 5.988 -5.616 -6.398 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.435 -6.627 -8.509 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.590 -7.537 -7.272 1.00 0.00 H new ATOM 782 N SER A 52 3.954 -3.249 -7.048 1.00 0.00 N ATOM 783 CA SER A 52 3.954 -1.849 -7.436 1.00 0.00 C ATOM 784 C SER A 52 5.156 -1.116 -6.815 1.00 0.00 C ATOM 785 O SER A 52 5.843 -0.349 -7.495 1.00 0.00 O ATOM 786 CB SER A 52 2.614 -1.244 -6.988 1.00 0.00 C ATOM 787 OG SER A 52 2.288 -0.033 -7.649 1.00 0.00 O ATOM 0 H SER A 52 3.148 -3.521 -6.485 1.00 0.00 H new ATOM 0 HA SER A 52 4.056 -1.744 -8.516 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.820 -1.970 -7.165 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.648 -1.064 -5.914 1.00 0.00 H new ATOM 0 HG SER A 52 1.426 0.297 -7.320 1.00 0.00 H new ATOM 793 N LYS A 53 5.357 -1.248 -5.500 1.00 0.00 N ATOM 794 CA LYS A 53 6.140 -0.294 -4.704 1.00 0.00 C ATOM 795 C LYS A 53 7.646 -0.539 -4.810 1.00 0.00 C ATOM 796 O LYS A 53 8.425 0.410 -4.700 1.00 0.00 O ATOM 797 CB LYS A 53 5.657 -0.343 -3.239 1.00 0.00 C ATOM 798 CG LYS A 53 4.264 0.302 -3.118 1.00 0.00 C ATOM 799 CD LYS A 53 3.688 0.334 -1.696 1.00 0.00 C ATOM 800 CE LYS A 53 3.053 -0.996 -1.277 1.00 0.00 C ATOM 801 NZ LYS A 53 2.208 -0.847 -0.074 1.00 0.00 N ATOM 0 H LYS A 53 4.980 -2.023 -4.954 1.00 0.00 H new ATOM 0 HA LYS A 53 5.975 0.706 -5.106 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.619 -1.377 -2.895 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.365 0.180 -2.597 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.319 1.323 -3.495 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.572 -0.239 -3.763 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.482 0.588 -0.994 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.940 1.124 -1.631 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.451 -1.386 -2.098 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.837 -1.727 -1.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.797 -1.768 0.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.788 -0.499 0.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.444 -0.168 -0.268 1.00 0.00 H new ATOM 815 N VAL A 54 8.043 -1.789 -5.006 1.00 0.00 N ATOM 816 CA VAL A 54 9.403 -2.259 -5.273 1.00 0.00 C ATOM 817 C VAL A 54 9.998 -1.601 -6.539 1.00 0.00 C ATOM 818 O VAL A 54 9.306 -0.983 -7.350 1.00 0.00 O ATOM 819 CB VAL A 54 9.356 -3.809 -5.358 1.00 0.00 C ATOM 820 CG1 VAL A 54 8.267 -4.190 -6.340 1.00 0.00 C ATOM 821 CG2 VAL A 54 10.677 -4.484 -5.710 1.00 0.00 C ATOM 0 H VAL A 54 7.377 -2.561 -4.981 1.00 0.00 H new ATOM 0 HA VAL A 54 10.074 -1.966 -4.466 1.00 0.00 H new ATOM 0 HB VAL A 54 9.140 -4.178 -4.356 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.212 -5.276 -6.419 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.310 -3.803 -5.990 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.494 -3.766 -7.318 1.00 0.00 H new ATOM 0 HG21 VAL A 54 10.536 -5.564 -5.744 1.00 0.00 H new ATOM 0 HG22 VAL A 54 11.017 -4.132 -6.684 1.00 0.00 H new ATOM 0 HG23 VAL A 54 11.423 -4.239 -4.954 1.00 0.00 H new ATOM 831 N LYS A 55 11.311 -1.724 -6.705 1.00 0.00 N ATOM 832 CA LYS A 55 12.130 -1.338 -7.850 1.00 0.00 C ATOM 833 C LYS A 55 12.672 -2.604 -8.536 1.00 0.00 C ATOM 834 O LYS A 55 12.013 -3.641 -8.526 1.00 0.00 O ATOM 835 CB LYS A 55 13.215 -0.385 -7.336 1.00 0.00 C ATOM 836 CG LYS A 55 12.661 0.938 -6.782 1.00 0.00 C ATOM 837 CD LYS A 55 12.204 1.926 -7.872 1.00 0.00 C ATOM 838 CE LYS A 55 10.690 2.178 -7.987 1.00 0.00 C ATOM 839 NZ LYS A 55 9.939 1.248 -8.857 1.00 0.00 N ATOM 0 H LYS A 55 11.884 -2.137 -5.969 1.00 0.00 H new ATOM 0 HA LYS A 55 11.563 -0.809 -8.616 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.786 -0.886 -6.554 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.909 -0.167 -8.147 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.819 0.722 -6.125 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.428 1.415 -6.171 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.695 2.882 -7.692 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.562 1.560 -8.834 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.258 2.136 -6.987 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.538 3.192 -8.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.104 1.732 -9.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.549 0.934 -9.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.635 0.423 -8.302 1.00 0.00 H new ATOM 853 N GLY A 56 13.806 -2.517 -9.227 1.00 0.00 N ATOM 854 CA GLY A 56 14.445 -3.610 -9.927 1.00 0.00 C ATOM 855 C GLY A 56 15.005 -4.626 -8.942 1.00 0.00 C ATOM 856 O GLY A 56 16.108 -4.454 -8.427 1.00 0.00 O ATOM 0 H GLY A 56 14.321 -1.641 -9.313 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.726 -4.095 -10.588 1.00 0.00 H new ATOM 0 HA3 GLY A 56 15.248 -3.226 -10.556 1.00 0.00 H new ATOM 860 N MET A 57 14.232 -5.664 -8.658 1.00 0.00 N ATOM 861 CA MET A 57 14.666 -6.853 -7.936 1.00 0.00 C ATOM 862 C MET A 57 15.805 -7.529 -8.710 1.00 0.00 C ATOM 863 O MET A 57 15.720 -7.681 -9.932 1.00 0.00 O ATOM 864 CB MET A 57 13.457 -7.789 -7.750 1.00 0.00 C ATOM 865 CG MET A 57 13.800 -9.043 -6.938 1.00 0.00 C ATOM 866 SD MET A 57 12.464 -10.262 -6.788 1.00 0.00 S ATOM 867 CE MET A 57 11.585 -9.641 -5.341 1.00 0.00 C ATOM 0 H MET A 57 13.251 -5.704 -8.933 1.00 0.00 H new ATOM 0 HA MET A 57 15.048 -6.592 -6.949 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.655 -7.245 -7.250 1.00 0.00 H new ATOM 0 HB3 MET A 57 13.079 -8.086 -8.728 1.00 0.00 H new ATOM 0 HG2 MET A 57 14.662 -9.528 -7.397 1.00 0.00 H new ATOM 0 HG3 MET A 57 14.103 -8.736 -5.937 1.00 0.00 H new ATOM 0 HE1 MET A 57 10.585 -10.073 -5.310 1.00 0.00 H new ATOM 0 HE2 MET A 57 12.129 -9.919 -4.438 1.00 0.00 H new ATOM 0 HE3 MET A 57 11.509 -8.555 -5.399 1.00 0.00 H new ATOM 877 N VAL A 58 16.850 -7.973 -8.011 1.00 0.00 N ATOM 878 CA VAL A 58 18.006 -8.660 -8.577 1.00 0.00 C ATOM 879 C VAL A 58 18.330 -9.893 -7.727 1.00 0.00 C ATOM 880 O VAL A 58 18.258 -9.856 -6.498 1.00 0.00 O ATOM 881 CB VAL A 58 19.208 -7.690 -8.707 1.00 0.00 C ATOM 882 CG1 VAL A 58 19.019 -6.710 -9.874 1.00 0.00 C ATOM 883 CG2 VAL A 58 19.495 -6.880 -7.433 1.00 0.00 C ATOM 0 H VAL A 58 16.915 -7.859 -6.999 1.00 0.00 H new ATOM 0 HA VAL A 58 17.777 -9.003 -9.586 1.00 0.00 H new ATOM 0 HB VAL A 58 20.064 -8.339 -8.891 1.00 0.00 H new ATOM 0 HG11 VAL A 58 19.881 -6.046 -9.934 1.00 0.00 H new ATOM 0 HG12 VAL A 58 18.925 -7.268 -10.806 1.00 0.00 H new ATOM 0 HG13 VAL A 58 18.117 -6.120 -9.711 1.00 0.00 H new ATOM 0 HG21 VAL A 58 20.349 -6.225 -7.603 1.00 0.00 H new ATOM 0 HG22 VAL A 58 18.622 -6.279 -7.180 1.00 0.00 H new ATOM 0 HG23 VAL A 58 19.718 -7.561 -6.611 1.00 0.00 H new ATOM 893 N PHE A 59 18.678 -11.011 -8.372 1.00 0.00 N ATOM 894 CA PHE A 59 19.197 -12.195 -7.691 1.00 0.00 C ATOM 895 C PHE A 59 20.492 -11.843 -6.950 1.00 0.00 C ATOM 896 O PHE A 59 21.263 -10.988 -7.399 1.00 0.00 O ATOM 897 CB PHE A 59 19.396 -13.344 -8.691 1.00 0.00 C ATOM 898 CG PHE A 59 18.222 -14.299 -8.819 1.00 0.00 C ATOM 899 CD1 PHE A 59 17.196 -14.064 -9.754 1.00 0.00 C ATOM 900 CD2 PHE A 59 18.189 -15.470 -8.036 1.00 0.00 C ATOM 901 CE1 PHE A 59 16.156 -14.994 -9.908 1.00 0.00 C ATOM 902 CE2 PHE A 59 17.146 -16.400 -8.199 1.00 0.00 C ATOM 903 CZ PHE A 59 16.118 -16.159 -9.128 1.00 0.00 C ATOM 0 H PHE A 59 18.606 -11.118 -9.384 1.00 0.00 H new ATOM 0 HA PHE A 59 18.474 -12.536 -6.951 1.00 0.00 H new ATOM 0 HB2 PHE A 59 19.606 -12.918 -9.672 1.00 0.00 H new ATOM 0 HB3 PHE A 59 20.277 -13.914 -8.395 1.00 0.00 H new ATOM 0 HD1 PHE A 59 17.209 -13.166 -10.354 1.00 0.00 H new ATOM 0 HD2 PHE A 59 18.966 -15.654 -7.309 1.00 0.00 H new ATOM 0 HE1 PHE A 59 15.378 -14.811 -10.634 1.00 0.00 H new ATOM 0 HE2 PHE A 59 17.135 -17.304 -7.608 1.00 0.00 H new ATOM 0 HZ PHE A 59 15.307 -16.864 -9.240 1.00 0.00 H new ATOM 913 N LEU A 60 20.714 -12.510 -5.813 1.00 0.00 N ATOM 914 CA LEU A 60 21.867 -12.307 -4.937 1.00 0.00 C ATOM 915 C LEU A 60 23.046 -13.180 -5.379 1.00 0.00 C ATOM 916 O LEU A 60 23.041 -13.780 -6.461 1.00 0.00 O ATOM 917 CB LEU A 60 21.467 -12.568 -3.460 1.00 0.00 C ATOM 918 CG LEU A 60 20.829 -11.340 -2.786 1.00 0.00 C ATOM 919 CD1 LEU A 60 20.240 -11.724 -1.426 1.00 0.00 C ATOM 920 CD2 LEU A 60 21.851 -10.224 -2.532 1.00 0.00 C ATOM 0 H LEU A 60 20.076 -13.227 -5.469 1.00 0.00 H new ATOM 0 HA LEU A 60 22.194 -11.270 -5.013 1.00 0.00 H new ATOM 0 HB2 LEU A 60 20.767 -13.402 -3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 60 22.351 -12.867 -2.897 1.00 0.00 H new ATOM 0 HG LEU A 60 20.058 -10.984 -3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 60 19.793 -10.845 -0.962 1.00 0.00 H new ATOM 0 HD12 LEU A 60 19.477 -12.490 -1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 60 21.031 -12.111 -0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 60 21.355 -9.378 -2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 60 22.641 -10.596 -1.880 1.00 0.00 H new ATOM 0 HD23 LEU A 60 22.283 -9.904 -3.480 1.00 0.00 H new ATOM 932 N LYS A 61 24.085 -13.211 -4.539 1.00 0.00 N ATOM 933 CA LYS A 61 25.160 -14.193 -4.498 1.00 0.00 C ATOM 934 C LYS A 61 24.585 -15.614 -4.542 1.00 0.00 C ATOM 935 O LYS A 61 24.234 -16.192 -3.513 1.00 0.00 O ATOM 936 CB LYS A 61 26.043 -13.960 -3.254 1.00 0.00 C ATOM 937 CG LYS A 61 25.284 -13.786 -1.916 1.00 0.00 C ATOM 938 CD LYS A 61 26.072 -14.315 -0.709 1.00 0.00 C ATOM 939 CE LYS A 61 26.139 -15.848 -0.720 1.00 0.00 C ATOM 940 NZ LYS A 61 26.952 -16.375 0.397 1.00 0.00 N ATOM 0 H LYS A 61 24.200 -12.497 -3.820 1.00 0.00 H new ATOM 0 HA LYS A 61 25.794 -14.074 -5.377 1.00 0.00 H new ATOM 0 HB2 LYS A 61 26.729 -14.801 -3.155 1.00 0.00 H new ATOM 0 HB3 LYS A 61 26.651 -13.072 -3.424 1.00 0.00 H new ATOM 0 HG2 LYS A 61 25.063 -12.730 -1.764 1.00 0.00 H new ATOM 0 HG3 LYS A 61 24.328 -14.306 -1.976 1.00 0.00 H new ATOM 0 HD2 LYS A 61 27.081 -13.904 -0.722 1.00 0.00 H new ATOM 0 HD3 LYS A 61 25.601 -13.975 0.213 1.00 0.00 H new ATOM 0 HE2 LYS A 61 25.130 -16.255 -0.658 1.00 0.00 H new ATOM 0 HE3 LYS A 61 26.561 -16.186 -1.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 26.971 -17.414 0.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 27.922 -16.007 0.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 26.535 -16.075 1.301 1.00 0.00 H new ATOM 954 N GLY A 62 24.506 -16.180 -5.740 1.00 0.00 N ATOM 955 CA GLY A 62 23.951 -17.491 -5.973 1.00 0.00 C ATOM 956 C GLY A 62 22.442 -17.423 -6.133 1.00 0.00 C ATOM 957 O GLY A 62 21.753 -16.503 -5.691 1.00 0.00 O ATOM 0 H GLY A 62 24.836 -15.723 -6.590 1.00 0.00 H new ATOM 0 HA2 GLY A 62 24.396 -17.924 -6.869 1.00 0.00 H new ATOM 0 HA3 GLY A 62 24.203 -18.149 -5.142 1.00 0.00 H new ATOM 961 N LYS A 63 21.911 -18.484 -6.728 1.00 0.00 N ATOM 962 CA LYS A 63 20.494 -18.721 -6.986 1.00 0.00 C ATOM 963 C LYS A 63 19.694 -19.007 -5.701 1.00 0.00 C ATOM 964 O LYS A 63 18.626 -19.619 -5.775 1.00 0.00 O ATOM 965 CB LYS A 63 20.366 -19.832 -8.054 1.00 0.00 C ATOM 966 CG LYS A 63 21.286 -21.065 -7.878 1.00 0.00 C ATOM 967 CD LYS A 63 22.554 -20.931 -8.738 1.00 0.00 C ATOM 968 CE LYS A 63 23.653 -21.940 -8.384 1.00 0.00 C ATOM 969 NZ LYS A 63 24.828 -21.775 -9.269 1.00 0.00 N ATOM 0 H LYS A 63 22.494 -19.250 -7.065 1.00 0.00 H new ATOM 0 HA LYS A 63 20.042 -17.811 -7.379 1.00 0.00 H new ATOM 0 HB2 LYS A 63 19.332 -20.176 -8.067 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.567 -19.392 -9.031 1.00 0.00 H new ATOM 0 HG2 LYS A 63 21.563 -21.170 -6.829 1.00 0.00 H new ATOM 0 HG3 LYS A 63 20.746 -21.970 -8.158 1.00 0.00 H new ATOM 0 HD2 LYS A 63 22.285 -21.055 -9.787 1.00 0.00 H new ATOM 0 HD3 LYS A 63 22.951 -19.922 -8.628 1.00 0.00 H new ATOM 0 HE2 LYS A 63 23.954 -21.806 -7.345 1.00 0.00 H new ATOM 0 HE3 LYS A 63 23.264 -22.954 -8.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 25.558 -22.469 -9.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 24.542 -21.926 -10.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 25.211 -20.814 -9.162 1.00 0.00 H new ATOM 983 N LEU A 64 20.206 -18.625 -4.527 1.00 0.00 N ATOM 984 CA LEU A 64 19.699 -18.969 -3.195 1.00 0.00 C ATOM 985 C LEU A 64 19.360 -17.693 -2.416 1.00 0.00 C ATOM 986 O LEU A 64 19.432 -17.663 -1.183 1.00 0.00 O ATOM 987 CB LEU A 64 20.712 -19.822 -2.404 1.00 0.00 C ATOM 988 CG LEU A 64 21.519 -20.877 -3.176 1.00 0.00 C ATOM 989 CD1 LEU A 64 22.443 -21.594 -2.201 1.00 0.00 C ATOM 990 CD2 LEU A 64 20.648 -21.918 -3.860 1.00 0.00 C ATOM 0 H LEU A 64 21.035 -18.032 -4.478 1.00 0.00 H new ATOM 0 HA LEU A 64 18.795 -19.564 -3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 64 21.419 -19.144 -1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 64 20.170 -20.332 -1.607 1.00 0.00 H new ATOM 0 HG LEU A 64 22.071 -20.350 -3.954 1.00 0.00 H new ATOM 0 HD11 LEU A 64 23.023 -22.347 -2.736 1.00 0.00 H new ATOM 0 HD12 LEU A 64 23.120 -20.872 -1.743 1.00 0.00 H new ATOM 0 HD13 LEU A 64 21.849 -22.077 -1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 64 21.281 -22.632 -4.387 1.00 0.00 H new ATOM 0 HD22 LEU A 64 20.053 -22.443 -3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 64 19.985 -21.427 -4.572 1.00 0.00 H new ATOM 1002 N GLY A 65 19.053 -16.607 -3.119 1.00 0.00 N ATOM 1003 CA GLY A 65 18.643 -15.357 -2.511 1.00 0.00 C ATOM 1004 C GLY A 65 18.320 -14.342 -3.596 1.00 0.00 C ATOM 1005 O GLY A 65 18.640 -14.542 -4.772 1.00 0.00 O ATOM 0 H GLY A 65 19.084 -16.576 -4.138 1.00 0.00 H new ATOM 0 HA2 GLY A 65 17.770 -15.518 -1.879 1.00 0.00 H new ATOM 0 HA3 GLY A 65 19.437 -14.976 -1.868 1.00 0.00 H new ATOM 1009 N VAL A 66 17.706 -13.236 -3.197 1.00 0.00 N ATOM 1010 CA VAL A 66 17.370 -12.120 -4.062 1.00 0.00 C ATOM 1011 C VAL A 66 17.311 -10.869 -3.173 1.00 0.00 C ATOM 1012 O VAL A 66 17.165 -10.991 -1.953 1.00 0.00 O ATOM 1013 CB VAL A 66 16.051 -12.483 -4.779 1.00 0.00 C ATOM 1014 CG1 VAL A 66 14.840 -12.426 -3.849 1.00 0.00 C ATOM 1015 CG2 VAL A 66 15.748 -11.662 -6.020 1.00 0.00 C ATOM 0 H VAL A 66 17.420 -13.089 -2.229 1.00 0.00 H new ATOM 0 HA VAL A 66 18.099 -11.911 -4.845 1.00 0.00 H new ATOM 0 HB VAL A 66 16.225 -13.509 -5.102 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.941 -12.690 -4.406 1.00 0.00 H new ATOM 0 HG12 VAL A 66 14.978 -13.130 -3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 66 14.736 -11.418 -3.449 1.00 0.00 H new ATOM 0 HG21 VAL A 66 14.803 -11.991 -6.452 1.00 0.00 H new ATOM 0 HG22 VAL A 66 15.677 -10.608 -5.751 1.00 0.00 H new ATOM 0 HG23 VAL A 66 16.547 -11.797 -6.749 1.00 0.00 H new ATOM 1025 N CYS A 67 17.418 -9.677 -3.748 1.00 0.00 N ATOM 1026 CA CYS A 67 17.217 -8.423 -3.040 1.00 0.00 C ATOM 1027 C CYS A 67 16.503 -7.443 -3.967 1.00 0.00 C ATOM 1028 O CYS A 67 16.505 -7.611 -5.188 1.00 0.00 O ATOM 1029 CB CYS A 67 18.561 -7.883 -2.529 1.00 0.00 C ATOM 1030 SG CYS A 67 19.805 -7.781 -3.845 1.00 0.00 S ATOM 0 H CYS A 67 17.650 -9.555 -4.734 1.00 0.00 H new ATOM 0 HA CYS A 67 16.588 -8.574 -2.162 1.00 0.00 H new ATOM 0 HB2 CYS A 67 18.412 -6.894 -2.095 1.00 0.00 H new ATOM 0 HB3 CYS A 67 18.930 -8.528 -1.732 1.00 0.00 H new ATOM 0 HG CYS A 67 20.917 -7.317 -3.356 1.00 0.00 H new ATOM 1036 N PHE A 68 15.874 -6.422 -3.393 1.00 0.00 N ATOM 1037 CA PHE A 68 15.130 -5.409 -4.136 1.00 0.00 C ATOM 1038 C PHE A 68 15.056 -4.145 -3.290 1.00 0.00 C ATOM 1039 O PHE A 68 15.127 -4.230 -2.062 1.00 0.00 O ATOM 1040 CB PHE A 68 13.713 -5.908 -4.477 1.00 0.00 C ATOM 1041 CG PHE A 68 12.853 -6.271 -3.278 1.00 0.00 C ATOM 1042 CD1 PHE A 68 13.112 -7.480 -2.611 1.00 0.00 C ATOM 1043 CD2 PHE A 68 11.841 -5.411 -2.797 1.00 0.00 C ATOM 1044 CE1 PHE A 68 12.435 -7.787 -1.424 1.00 0.00 C ATOM 1045 CE2 PHE A 68 11.183 -5.713 -1.593 1.00 0.00 C ATOM 1046 CZ PHE A 68 11.476 -6.903 -0.909 1.00 0.00 C ATOM 0 H PHE A 68 15.866 -6.272 -2.384 1.00 0.00 H new ATOM 0 HA PHE A 68 15.641 -5.200 -5.076 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.201 -5.136 -5.052 1.00 0.00 H new ATOM 0 HB3 PHE A 68 13.798 -6.782 -5.122 1.00 0.00 H new ATOM 0 HD1 PHE A 68 13.835 -8.174 -3.014 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.574 -4.524 -3.353 1.00 0.00 H new ATOM 0 HE1 PHE A 68 12.652 -8.708 -0.903 1.00 0.00 H new ATOM 0 HE2 PHE A 68 10.450 -5.028 -1.193 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.964 -7.137 0.012 1.00 0.00 H new ATOM 1056 N ASP A 69 14.883 -2.985 -3.926 1.00 0.00 N ATOM 1057 CA ASP A 69 14.717 -1.730 -3.197 1.00 0.00 C ATOM 1058 C ASP A 69 13.230 -1.438 -3.016 1.00 0.00 C ATOM 1059 O ASP A 69 12.427 -1.734 -3.911 1.00 0.00 O ATOM 1060 CB ASP A 69 15.416 -0.547 -3.885 1.00 0.00 C ATOM 1061 CG ASP A 69 16.929 -0.713 -4.009 1.00 0.00 C ATOM 1062 OD1 ASP A 69 17.639 -0.619 -2.979 1.00 0.00 O ATOM 1063 OD2 ASP A 69 17.409 -0.881 -5.151 1.00 0.00 O ATOM 0 H ASP A 69 14.854 -2.890 -4.941 1.00 0.00 H new ATOM 0 HA ASP A 69 15.194 -1.850 -2.224 1.00 0.00 H new ATOM 0 HB2 ASP A 69 14.992 -0.415 -4.880 1.00 0.00 H new ATOM 0 HB3 ASP A 69 15.204 0.364 -3.325 1.00 0.00 H new ATOM 1068 N VAL A 70 12.850 -0.817 -1.894 1.00 0.00 N ATOM 1069 CA VAL A 70 11.485 -0.352 -1.625 1.00 0.00 C ATOM 1070 C VAL A 70 11.546 1.002 -0.893 1.00 0.00 C ATOM 1071 O VAL A 70 12.551 1.280 -0.229 1.00 0.00 O ATOM 1072 CB VAL A 70 10.675 -1.396 -0.811 1.00 0.00 C ATOM 1073 CG1 VAL A 70 9.837 -2.272 -1.746 1.00 0.00 C ATOM 1074 CG2 VAL A 70 11.534 -2.332 0.059 1.00 0.00 C ATOM 0 H VAL A 70 13.497 -0.619 -1.131 1.00 0.00 H new ATOM 0 HA VAL A 70 10.964 -0.223 -2.574 1.00 0.00 H new ATOM 0 HB VAL A 70 10.051 -0.802 -0.143 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.276 -2.998 -1.158 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.144 -1.646 -2.307 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.494 -2.797 -2.439 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.887 -3.028 0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.222 -2.890 -0.576 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.102 -1.741 0.778 1.00 0.00 H new ATOM 1084 N PRO A 71 10.506 1.853 -1.003 1.00 0.00 N ATOM 1085 CA PRO A 71 10.503 3.169 -0.379 1.00 0.00 C ATOM 1086 C PRO A 71 10.413 3.060 1.139 1.00 0.00 C ATOM 1087 O PRO A 71 9.598 2.298 1.647 1.00 0.00 O ATOM 1088 CB PRO A 71 9.291 3.926 -0.929 1.00 0.00 C ATOM 1089 CG PRO A 71 8.405 2.852 -1.557 1.00 0.00 C ATOM 1090 CD PRO A 71 9.333 1.675 -1.845 1.00 0.00 C ATOM 0 HA PRO A 71 11.431 3.694 -0.606 1.00 0.00 H new ATOM 0 HB2 PRO A 71 8.765 4.458 -0.136 1.00 0.00 H new ATOM 0 HB3 PRO A 71 9.592 4.670 -1.666 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.601 2.562 -0.881 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.936 3.215 -2.472 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.838 0.729 -1.625 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.612 1.651 -2.898 1.00 0.00 H new ATOM 1098 N THR A 72 11.163 3.887 1.859 1.00 0.00 N ATOM 1099 CA THR A 72 11.321 3.891 3.311 1.00 0.00 C ATOM 1100 C THR A 72 9.982 3.946 4.059 1.00 0.00 C ATOM 1101 O THR A 72 9.802 3.277 5.086 1.00 0.00 O ATOM 1102 CB THR A 72 12.224 5.085 3.667 1.00 0.00 C ATOM 1103 OG1 THR A 72 13.404 5.039 2.892 1.00 0.00 O ATOM 1104 CG2 THR A 72 12.630 5.114 5.129 1.00 0.00 C ATOM 0 H THR A 72 11.714 4.622 1.415 1.00 0.00 H new ATOM 0 HA THR A 72 11.777 2.954 3.630 1.00 0.00 H new ATOM 0 HB THR A 72 11.639 5.981 3.459 1.00 0.00 H new ATOM 0 HG1 THR A 72 13.675 5.950 2.655 1.00 0.00 H new ATOM 0 HG21 THR A 72 13.266 5.980 5.313 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.739 5.179 5.753 1.00 0.00 H new ATOM 0 HG23 THR A 72 13.178 4.204 5.373 1.00 0.00 H new ATOM 1112 N ALA A 73 9.006 4.680 3.518 1.00 0.00 N ATOM 1113 CA ALA A 73 7.690 4.741 4.137 1.00 0.00 C ATOM 1114 C ALA A 73 7.064 3.349 4.141 1.00 0.00 C ATOM 1115 O ALA A 73 6.585 2.882 5.175 1.00 0.00 O ATOM 1116 CB ALA A 73 6.810 5.756 3.407 1.00 0.00 C ATOM 0 H ALA A 73 9.104 5.231 2.665 1.00 0.00 H new ATOM 0 HA ALA A 73 7.784 5.074 5.171 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.828 5.793 3.879 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.273 6.741 3.456 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.700 5.459 2.364 1.00 0.00 H new ATOM 1122 N SER A 74 7.109 2.679 2.993 1.00 0.00 N ATOM 1123 CA SER A 74 6.515 1.367 2.824 1.00 0.00 C ATOM 1124 C SER A 74 7.359 0.295 3.508 1.00 0.00 C ATOM 1125 O SER A 74 6.786 -0.605 4.102 1.00 0.00 O ATOM 1126 CB SER A 74 6.324 1.094 1.333 1.00 0.00 C ATOM 1127 OG SER A 74 5.538 2.132 0.764 1.00 0.00 O ATOM 0 H SER A 74 7.562 3.037 2.152 1.00 0.00 H new ATOM 0 HA SER A 74 5.537 1.339 3.304 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.292 1.040 0.834 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.836 0.130 1.187 1.00 0.00 H new ATOM 0 HG SER A 74 4.590 1.891 0.817 1.00 0.00 H new ATOM 1133 N VAL A 75 8.695 0.405 3.510 1.00 0.00 N ATOM 1134 CA VAL A 75 9.626 -0.504 4.204 1.00 0.00 C ATOM 1135 C VAL A 75 9.135 -0.768 5.618 1.00 0.00 C ATOM 1136 O VAL A 75 9.085 -1.917 6.068 1.00 0.00 O ATOM 1137 CB VAL A 75 11.033 0.121 4.201 1.00 0.00 C ATOM 1138 CG1 VAL A 75 12.020 -0.516 5.188 1.00 0.00 C ATOM 1139 CG2 VAL A 75 11.630 0.039 2.796 1.00 0.00 C ATOM 0 H VAL A 75 9.176 1.154 3.012 1.00 0.00 H new ATOM 0 HA VAL A 75 9.672 -1.463 3.687 1.00 0.00 H new ATOM 0 HB VAL A 75 10.892 1.152 4.524 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.984 -0.012 5.116 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.634 -0.418 6.203 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.144 -1.572 4.948 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.626 0.482 2.797 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.698 -1.005 2.490 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.993 0.581 2.098 1.00 0.00 H new ATOM 1149 N THR A 76 8.736 0.308 6.290 1.00 0.00 N ATOM 1150 CA THR A 76 8.347 0.235 7.672 1.00 0.00 C ATOM 1151 C THR A 76 7.131 -0.689 7.856 1.00 0.00 C ATOM 1152 O THR A 76 7.047 -1.436 8.830 1.00 0.00 O ATOM 1153 CB THR A 76 8.109 1.679 8.169 1.00 0.00 C ATOM 1154 OG1 THR A 76 9.214 2.537 7.885 1.00 0.00 O ATOM 1155 CG2 THR A 76 7.870 1.744 9.673 1.00 0.00 C ATOM 0 H THR A 76 8.678 1.242 5.885 1.00 0.00 H new ATOM 0 HA THR A 76 9.133 -0.214 8.279 1.00 0.00 H new ATOM 0 HB THR A 76 7.221 2.014 7.632 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.199 2.787 6.937 1.00 0.00 H new ATOM 0 HG21 THR A 76 7.708 2.780 9.971 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.991 1.152 9.928 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.739 1.347 10.197 1.00 0.00 H new ATOM 1163 N GLU A 77 6.237 -0.687 6.873 1.00 0.00 N ATOM 1164 CA GLU A 77 4.980 -1.411 6.783 1.00 0.00 C ATOM 1165 C GLU A 77 5.175 -2.802 6.146 1.00 0.00 C ATOM 1166 O GLU A 77 4.205 -3.484 5.833 1.00 0.00 O ATOM 1167 CB GLU A 77 4.077 -0.512 5.921 1.00 0.00 C ATOM 1168 CG GLU A 77 2.573 -0.796 5.963 1.00 0.00 C ATOM 1169 CD GLU A 77 1.796 0.128 5.019 1.00 0.00 C ATOM 1170 OE1 GLU A 77 2.391 0.900 4.224 1.00 0.00 O ATOM 1171 OE2 GLU A 77 0.546 0.096 5.071 1.00 0.00 O ATOM 0 H GLU A 77 6.393 -0.122 6.039 1.00 0.00 H new ATOM 0 HA GLU A 77 4.545 -1.605 7.763 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.236 0.522 6.228 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.408 -0.592 4.886 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.391 -1.835 5.687 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.207 -0.668 6.981 1.00 0.00 H new ATOM 1178 N ILE A 78 6.412 -3.243 5.907 1.00 0.00 N ATOM 1179 CA ILE A 78 6.729 -4.492 5.210 1.00 0.00 C ATOM 1180 C ILE A 78 7.478 -5.415 6.168 1.00 0.00 C ATOM 1181 O ILE A 78 7.165 -6.605 6.242 1.00 0.00 O ATOM 1182 CB ILE A 78 7.517 -4.154 3.930 1.00 0.00 C ATOM 1183 CG1 ILE A 78 6.614 -3.511 2.862 1.00 0.00 C ATOM 1184 CG2 ILE A 78 8.178 -5.380 3.317 1.00 0.00 C ATOM 1185 CD1 ILE A 78 7.442 -2.653 1.902 1.00 0.00 C ATOM 0 H ILE A 78 7.242 -2.728 6.200 1.00 0.00 H new ATOM 0 HA ILE A 78 5.831 -5.026 4.899 1.00 0.00 H new ATOM 0 HB ILE A 78 8.288 -3.448 4.239 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.091 -4.288 2.305 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.853 -2.897 3.343 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.721 -5.089 2.418 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.873 -5.816 4.035 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.415 -6.114 3.059 1.00 0.00 H new ATOM 0 HD11 ILE A 78 6.786 -2.207 1.154 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.945 -1.864 2.461 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.186 -3.277 1.406 1.00 0.00 H new ATOM 1197 N GLN A 79 8.437 -4.893 6.938 1.00 0.00 N ATOM 1198 CA GLN A 79 9.071 -5.697 7.981 1.00 0.00 C ATOM 1199 C GLN A 79 8.023 -6.088 9.025 1.00 0.00 C ATOM 1200 O GLN A 79 7.910 -7.263 9.372 1.00 0.00 O ATOM 1201 CB GLN A 79 10.300 -4.976 8.557 1.00 0.00 C ATOM 1202 CG GLN A 79 11.336 -4.755 7.436 1.00 0.00 C ATOM 1203 CD GLN A 79 12.774 -4.739 7.942 1.00 0.00 C ATOM 1204 OE1 GLN A 79 13.196 -3.804 8.621 1.00 0.00 O ATOM 1205 NE2 GLN A 79 13.561 -5.745 7.590 1.00 0.00 N ATOM 0 H GLN A 79 8.784 -3.937 6.861 1.00 0.00 H new ATOM 0 HA GLN A 79 9.459 -6.626 7.563 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.005 -4.019 8.989 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.738 -5.567 9.361 1.00 0.00 H new ATOM 0 HG2 GLN A 79 11.229 -5.543 6.690 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.123 -3.811 6.935 1.00 0.00 H new ATOM 0 HE21 GLN A 79 13.190 -6.510 7.027 1.00 0.00 H new ATOM 0 HE22 GLN A 79 14.538 -5.755 7.882 1.00 0.00 H new ATOM 1214 N GLU A 80 7.159 -5.145 9.408 1.00 0.00 N ATOM 1215 CA GLU A 80 6.068 -5.374 10.344 1.00 0.00 C ATOM 1216 C GLU A 80 4.975 -6.329 9.838 1.00 0.00 C ATOM 1217 O GLU A 80 4.133 -6.766 10.623 1.00 0.00 O ATOM 1218 CB GLU A 80 5.445 -4.008 10.640 1.00 0.00 C ATOM 1219 CG GLU A 80 6.086 -3.300 11.845 1.00 0.00 C ATOM 1220 CD GLU A 80 4.983 -2.702 12.715 1.00 0.00 C ATOM 1221 OE1 GLU A 80 4.108 -3.482 13.162 1.00 0.00 O ATOM 1222 OE2 GLU A 80 4.910 -1.459 12.842 1.00 0.00 O ATOM 0 H GLU A 80 7.203 -4.185 9.067 1.00 0.00 H new ATOM 0 HA GLU A 80 6.486 -5.860 11.226 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.542 -3.373 9.759 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.378 -4.135 10.826 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.681 -4.006 12.424 1.00 0.00 H new ATOM 0 HG3 GLU A 80 6.763 -2.517 11.505 1.00 0.00 H new ATOM 1229 N LYS A 81 4.934 -6.643 8.541 1.00 0.00 N ATOM 1230 CA LYS A 81 3.889 -7.481 7.944 1.00 0.00 C ATOM 1231 C LYS A 81 4.420 -8.869 7.566 1.00 0.00 C ATOM 1232 O LYS A 81 3.636 -9.751 7.231 1.00 0.00 O ATOM 1233 CB LYS A 81 3.303 -6.755 6.722 1.00 0.00 C ATOM 1234 CG LYS A 81 2.390 -5.558 7.027 1.00 0.00 C ATOM 1235 CD LYS A 81 1.056 -5.931 7.677 1.00 0.00 C ATOM 1236 CE LYS A 81 -0.065 -5.032 7.145 1.00 0.00 C ATOM 1237 NZ LYS A 81 -1.360 -5.304 7.800 1.00 0.00 N ATOM 0 H LYS A 81 5.631 -6.321 7.869 1.00 0.00 H new ATOM 0 HA LYS A 81 3.102 -7.642 8.681 1.00 0.00 H new ATOM 0 HB2 LYS A 81 4.128 -6.409 6.099 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.739 -7.476 6.131 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.921 -4.870 7.685 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.191 -5.022 6.099 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.823 -6.975 7.470 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.130 -5.829 8.760 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.206 -3.988 7.300 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.166 -5.179 6.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.087 -4.672 7.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.633 -6.293 7.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.273 -5.139 8.823 1.00 0.00 H new ATOM 1251 N TRP A 82 5.730 -9.100 7.604 1.00 0.00 N ATOM 1252 CA TRP A 82 6.306 -10.405 7.329 1.00 0.00 C ATOM 1253 C TRP A 82 6.216 -11.330 8.556 1.00 0.00 C ATOM 1254 O TRP A 82 6.169 -10.849 9.689 1.00 0.00 O ATOM 1255 CB TRP A 82 7.741 -10.150 6.895 1.00 0.00 C ATOM 1256 CG TRP A 82 8.572 -11.362 6.688 1.00 0.00 C ATOM 1257 CD1 TRP A 82 9.477 -11.834 7.569 1.00 0.00 C ATOM 1258 CD2 TRP A 82 8.589 -12.273 5.551 1.00 0.00 C ATOM 1259 NE1 TRP A 82 10.076 -12.949 7.040 1.00 0.00 N ATOM 1260 CE2 TRP A 82 9.536 -13.299 5.824 1.00 0.00 C ATOM 1261 CE3 TRP A 82 7.926 -12.325 4.307 1.00 0.00 C ATOM 1262 CZ2 TRP A 82 9.822 -14.320 4.913 1.00 0.00 C ATOM 1263 CZ3 TRP A 82 8.202 -13.349 3.383 1.00 0.00 C ATOM 1264 CH2 TRP A 82 9.163 -14.331 3.673 1.00 0.00 C ATOM 0 H TRP A 82 6.420 -8.383 7.827 1.00 0.00 H new ATOM 0 HA TRP A 82 5.759 -10.926 6.544 1.00 0.00 H new ATOM 0 HB2 TRP A 82 7.725 -9.579 5.967 1.00 0.00 H new ATOM 0 HB3 TRP A 82 8.223 -9.524 7.646 1.00 0.00 H new ATOM 0 HD1 TRP A 82 9.695 -11.404 8.535 1.00 0.00 H new ATOM 0 HE1 TRP A 82 10.833 -13.459 7.495 1.00 0.00 H new ATOM 0 HE3 TRP A 82 7.196 -11.568 4.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 10.539 -15.089 5.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 7.671 -13.380 2.443 1.00 0.00 H new ATOM 0 HH2 TRP A 82 9.395 -15.093 2.944 1.00 0.00 H new ATOM 1275 N HIS A 83 6.260 -12.650 8.336 1.00 0.00 N ATOM 1276 CA HIS A 83 6.609 -13.685 9.309 1.00 0.00 C ATOM 1277 C HIS A 83 7.623 -14.608 8.621 1.00 0.00 C ATOM 1278 O HIS A 83 7.437 -14.953 7.452 1.00 0.00 O ATOM 1279 CB HIS A 83 5.371 -14.499 9.728 1.00 0.00 C ATOM 1280 CG HIS A 83 4.707 -14.044 11.003 1.00 0.00 C ATOM 1281 ND1 HIS A 83 5.214 -14.197 12.276 1.00 0.00 N ATOM 1282 CD2 HIS A 83 3.431 -13.568 11.128 1.00 0.00 C ATOM 1283 CE1 HIS A 83 4.263 -13.845 13.155 1.00 0.00 C ATOM 1284 NE2 HIS A 83 3.160 -13.444 12.498 1.00 0.00 N ATOM 0 H HIS A 83 6.040 -13.044 7.421 1.00 0.00 H new ATOM 0 HA HIS A 83 7.018 -13.232 10.212 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.639 -14.459 8.921 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.663 -15.543 9.842 1.00 0.00 H new ATOM 0 HD2 HIS A 83 2.756 -13.331 10.319 1.00 0.00 H new ATOM 0 HE1 HIS A 83 4.368 -13.879 14.229 1.00 0.00 H new ATOM 0 HE2 HIS A 83 2.291 -13.113 12.917 1.00 0.00 H new ATOM 1292 N ASP A 84 8.693 -14.991 9.323 1.00 0.00 N ATOM 1293 CA ASP A 84 9.804 -15.776 8.772 1.00 0.00 C ATOM 1294 C ASP A 84 9.472 -17.272 8.821 1.00 0.00 C ATOM 1295 O ASP A 84 9.282 -17.835 9.909 1.00 0.00 O ATOM 1296 CB ASP A 84 11.102 -15.533 9.553 1.00 0.00 C ATOM 1297 CG ASP A 84 11.616 -14.101 9.553 1.00 0.00 C ATOM 1298 OD1 ASP A 84 12.280 -13.696 8.573 1.00 0.00 O ATOM 1299 OD2 ASP A 84 11.393 -13.383 10.551 1.00 0.00 O ATOM 0 H ASP A 84 8.815 -14.760 10.309 1.00 0.00 H new ATOM 0 HA ASP A 84 9.948 -15.458 7.739 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.946 -15.843 10.586 1.00 0.00 H new ATOM 0 HB3 ASP A 84 11.878 -16.178 9.141 1.00 0.00 H new ATOM 1304 N SER A 85 9.442 -17.924 7.658 1.00 0.00 N ATOM 1305 CA SER A 85 9.036 -19.318 7.506 1.00 0.00 C ATOM 1306 C SER A 85 10.127 -20.282 7.973 1.00 0.00 C ATOM 1307 O SER A 85 11.257 -19.900 8.264 1.00 0.00 O ATOM 1308 CB SER A 85 8.695 -19.611 6.032 1.00 0.00 C ATOM 1309 OG SER A 85 7.394 -19.186 5.698 1.00 0.00 O ATOM 0 H SER A 85 9.706 -17.485 6.776 1.00 0.00 H new ATOM 0 HA SER A 85 8.156 -19.471 8.131 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.417 -19.111 5.386 1.00 0.00 H new ATOM 0 HB3 SER A 85 8.787 -20.681 5.844 1.00 0.00 H new ATOM 0 HG SER A 85 7.216 -19.387 4.756 1.00 0.00 H new ATOM 1315 N ARG A 86 9.825 -21.579 7.908 1.00 0.00 N ATOM 1316 CA ARG A 86 10.763 -22.690 8.080 1.00 0.00 C ATOM 1317 C ARG A 86 11.933 -22.701 7.081 1.00 0.00 C ATOM 1318 O ARG A 86 12.804 -23.571 7.196 1.00 0.00 O ATOM 1319 CB ARG A 86 9.954 -23.997 7.937 1.00 0.00 C ATOM 1320 CG ARG A 86 10.211 -24.997 9.069 1.00 0.00 C ATOM 1321 CD ARG A 86 9.424 -26.275 8.762 1.00 0.00 C ATOM 1322 NE ARG A 86 9.516 -27.259 9.844 1.00 0.00 N ATOM 1323 CZ ARG A 86 9.307 -28.570 9.698 1.00 0.00 C ATOM 1324 NH1 ARG A 86 8.882 -29.091 8.551 1.00 0.00 N ATOM 1325 NH2 ARG A 86 9.527 -29.386 10.716 1.00 0.00 N ATOM 0 H ARG A 86 8.874 -21.899 7.725 1.00 0.00 H new ATOM 0 HA ARG A 86 11.225 -22.582 9.061 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.891 -23.757 7.908 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.200 -24.466 6.984 1.00 0.00 H new ATOM 0 HG2 ARG A 86 11.276 -25.216 9.149 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.899 -24.578 10.025 1.00 0.00 H new ATOM 0 HD2 ARG A 86 8.377 -26.022 8.592 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.799 -26.717 7.839 1.00 0.00 H new ATOM 0 HE ARG A 86 9.757 -26.918 10.775 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.706 -28.485 7.750 1.00 0.00 H new ATOM 0 HH12 ARG A 86 8.732 -30.097 8.472 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.855 -29.013 11.607 1.00 0.00 H new ATOM 0 HH22 ARG A 86 9.369 -30.388 10.610 1.00 0.00 H new ATOM 1339 N ARG A 87 11.929 -21.840 6.056 1.00 0.00 N ATOM 1340 CA ARG A 87 12.837 -21.898 4.903 1.00 0.00 C ATOM 1341 C ARG A 87 13.144 -20.523 4.308 1.00 0.00 C ATOM 1342 O ARG A 87 13.835 -20.450 3.287 1.00 0.00 O ATOM 1343 CB ARG A 87 12.183 -22.794 3.844 1.00 0.00 C ATOM 1344 CG ARG A 87 13.155 -23.403 2.824 1.00 0.00 C ATOM 1345 CD ARG A 87 12.349 -24.013 1.682 1.00 0.00 C ATOM 1346 NE ARG A 87 11.808 -23.010 0.753 1.00 0.00 N ATOM 1347 CZ ARG A 87 10.925 -23.301 -0.210 1.00 0.00 C ATOM 1348 NH1 ARG A 87 10.428 -24.532 -0.329 1.00 0.00 N ATOM 1349 NH2 ARG A 87 10.575 -22.351 -1.066 1.00 0.00 N ATOM 0 H ARG A 87 11.274 -21.060 6.004 1.00 0.00 H new ATOM 0 HA ARG A 87 13.794 -22.300 5.237 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.655 -23.603 4.349 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.434 -22.211 3.308 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.831 -22.637 2.442 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.773 -24.165 3.299 1.00 0.00 H new ATOM 0 HD2 ARG A 87 12.983 -24.706 1.129 1.00 0.00 H new ATOM 0 HD3 ARG A 87 11.526 -24.595 2.097 1.00 0.00 H new ATOM 0 HE ARG A 87 12.121 -22.044 0.847 1.00 0.00 H new ATOM 0 HH11 ARG A 87 10.720 -25.265 0.318 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.756 -24.741 -1.067 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.977 -21.417 -0.984 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.904 -22.554 -1.807 1.00 0.00 H new ATOM 1363 N TRP A 88 12.605 -19.455 4.892 1.00 0.00 N ATOM 1364 CA TRP A 88 12.718 -18.103 4.386 1.00 0.00 C ATOM 1365 C TRP A 88 12.930 -17.214 5.588 1.00 0.00 C ATOM 1366 O TRP A 88 12.101 -17.243 6.499 1.00 0.00 O ATOM 1367 CB TRP A 88 11.442 -17.690 3.652 1.00 0.00 C ATOM 1368 CG TRP A 88 11.163 -18.430 2.387 1.00 0.00 C ATOM 1369 CD1 TRP A 88 10.537 -19.622 2.258 1.00 0.00 C ATOM 1370 CD2 TRP A 88 11.444 -17.978 1.039 1.00 0.00 C ATOM 1371 NE1 TRP A 88 10.439 -19.950 0.921 1.00 0.00 N ATOM 1372 CE2 TRP A 88 10.953 -18.947 0.121 1.00 0.00 C ATOM 1373 CE3 TRP A 88 12.001 -16.799 0.512 1.00 0.00 C ATOM 1374 CZ2 TRP A 88 11.018 -18.740 -1.265 1.00 0.00 C ATOM 1375 CZ3 TRP A 88 12.176 -16.636 -0.870 1.00 0.00 C ATOM 1376 CH2 TRP A 88 11.680 -17.605 -1.754 1.00 0.00 C ATOM 0 H TRP A 88 12.064 -19.516 5.754 1.00 0.00 H new ATOM 0 HA TRP A 88 13.542 -18.023 3.676 1.00 0.00 H new ATOM 0 HB2 TRP A 88 10.596 -17.825 4.326 1.00 0.00 H new ATOM 0 HB3 TRP A 88 11.502 -16.626 3.425 1.00 0.00 H new ATOM 0 HD1 TRP A 88 10.170 -20.225 3.076 1.00 0.00 H new ATOM 0 HE1 TRP A 88 10.039 -20.820 0.569 1.00 0.00 H new ATOM 0 HE3 TRP A 88 12.299 -16.006 1.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 10.564 -19.445 -1.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 12.691 -15.767 -1.252 1.00 0.00 H new ATOM 0 HH2 TRP A 88 11.809 -17.476 -2.819 1.00 0.00 H new ATOM 1387 N GLN A 89 14.011 -16.441 5.590 1.00 0.00 N ATOM 1388 CA GLN A 89 14.196 -15.359 6.535 1.00 0.00 C ATOM 1389 C GLN A 89 14.497 -14.089 5.742 1.00 0.00 C ATOM 1390 O GLN A 89 14.878 -14.143 4.565 1.00 0.00 O ATOM 1391 CB GLN A 89 15.292 -15.648 7.567 1.00 0.00 C ATOM 1392 CG GLN A 89 15.347 -17.065 8.153 1.00 0.00 C ATOM 1393 CD GLN A 89 14.210 -17.516 9.059 1.00 0.00 C ATOM 1394 OE1 GLN A 89 13.884 -16.911 10.079 1.00 0.00 O ATOM 1395 NE2 GLN A 89 13.675 -18.695 8.788 1.00 0.00 N ATOM 0 H GLN A 89 14.783 -16.552 4.932 1.00 0.00 H new ATOM 0 HA GLN A 89 13.282 -15.238 7.116 1.00 0.00 H new ATOM 0 HB2 GLN A 89 16.256 -15.436 7.104 1.00 0.00 H new ATOM 0 HB3 GLN A 89 15.173 -14.946 8.392 1.00 0.00 H new ATOM 0 HG2 GLN A 89 15.407 -17.767 7.321 1.00 0.00 H new ATOM 0 HG3 GLN A 89 16.276 -17.156 8.715 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.946 -19.196 7.942 1.00 0.00 H new ATOM 0 HE22 GLN A 89 12.991 -19.103 9.425 1.00 0.00 H new ATOM 1404 N LEU A 90 14.310 -12.953 6.398 1.00 0.00 N ATOM 1405 CA LEU A 90 14.299 -11.620 5.807 1.00 0.00 C ATOM 1406 C LEU A 90 15.474 -10.784 6.293 1.00 0.00 C ATOM 1407 O LEU A 90 16.335 -11.272 7.035 1.00 0.00 O ATOM 1408 CB LEU A 90 12.933 -10.979 6.140 1.00 0.00 C ATOM 1409 CG LEU A 90 11.925 -10.925 4.996 1.00 0.00 C ATOM 1410 CD1 LEU A 90 11.999 -9.646 4.182 1.00 0.00 C ATOM 1411 CD2 LEU A 90 11.953 -12.166 4.103 1.00 0.00 C ATOM 0 H LEU A 90 14.154 -12.933 7.406 1.00 0.00 H new ATOM 0 HA LEU A 90 14.419 -11.678 4.725 1.00 0.00 H new ATOM 0 HB2 LEU A 90 12.486 -11.532 6.966 1.00 0.00 H new ATOM 0 HB3 LEU A 90 13.107 -9.963 6.493 1.00 0.00 H new ATOM 0 HG LEU A 90 10.954 -10.919 5.490 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.254 -9.677 3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.803 -8.791 4.829 1.00 0.00 H new ATOM 0 HD13 LEU A 90 12.993 -9.550 3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 90 11.212 -12.061 3.311 1.00 0.00 H new ATOM 0 HD22 LEU A 90 12.944 -12.274 3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.724 -13.049 4.700 1.00 0.00 H new ATOM 1423 N SER A 91 15.523 -9.541 5.808 1.00 0.00 N ATOM 1424 CA SER A 91 16.435 -8.514 6.312 1.00 0.00 C ATOM 1425 C SER A 91 16.149 -7.167 5.658 1.00 0.00 C ATOM 1426 O SER A 91 15.438 -7.094 4.652 1.00 0.00 O ATOM 1427 CB SER A 91 17.893 -8.911 6.014 1.00 0.00 C ATOM 1428 OG SER A 91 18.649 -9.083 7.192 1.00 0.00 O ATOM 0 H SER A 91 14.925 -9.217 5.048 1.00 0.00 H new ATOM 0 HA SER A 91 16.284 -8.429 7.388 1.00 0.00 H new ATOM 0 HB2 SER A 91 17.905 -9.836 5.438 1.00 0.00 H new ATOM 0 HB3 SER A 91 18.358 -8.144 5.395 1.00 0.00 H new ATOM 0 HG SER A 91 19.566 -9.336 6.958 1.00 0.00 H new ATOM 1434 N VAL A 92 16.792 -6.119 6.169 1.00 0.00 N ATOM 1435 CA VAL A 92 16.973 -4.845 5.492 1.00 0.00 C ATOM 1436 C VAL A 92 18.472 -4.567 5.409 1.00 0.00 C ATOM 1437 O VAL A 92 19.233 -4.956 6.298 1.00 0.00 O ATOM 1438 CB VAL A 92 16.175 -3.757 6.234 1.00 0.00 C ATOM 1439 CG1 VAL A 92 16.838 -3.235 7.515 1.00 0.00 C ATOM 1440 CG2 VAL A 92 15.843 -2.578 5.327 1.00 0.00 C ATOM 0 H VAL A 92 17.214 -6.138 7.097 1.00 0.00 H new ATOM 0 HA VAL A 92 16.586 -4.859 4.473 1.00 0.00 H new ATOM 0 HB VAL A 92 15.260 -4.266 6.536 1.00 0.00 H new ATOM 0 HG11 VAL A 92 16.204 -2.473 7.968 1.00 0.00 H new ATOM 0 HG12 VAL A 92 16.973 -4.058 8.216 1.00 0.00 H new ATOM 0 HG13 VAL A 92 17.808 -2.802 7.272 1.00 0.00 H new ATOM 0 HG21 VAL A 92 15.280 -1.833 5.890 1.00 0.00 H new ATOM 0 HG22 VAL A 92 16.766 -2.132 4.958 1.00 0.00 H new ATOM 0 HG23 VAL A 92 15.245 -2.924 4.484 1.00 0.00 H new ATOM 1450 N ALA A 93 18.889 -3.867 4.362 1.00 0.00 N ATOM 1451 CA ALA A 93 20.210 -3.271 4.305 1.00 0.00 C ATOM 1452 C ALA A 93 20.266 -2.155 5.351 1.00 0.00 C ATOM 1453 O ALA A 93 19.352 -1.328 5.411 1.00 0.00 O ATOM 1454 CB ALA A 93 20.452 -2.721 2.902 1.00 0.00 C ATOM 0 H ALA A 93 18.320 -3.699 3.532 1.00 0.00 H new ATOM 0 HA ALA A 93 20.986 -4.006 4.518 1.00 0.00 H new ATOM 0 HB1 ALA A 93 21.444 -2.272 2.853 1.00 0.00 H new ATOM 0 HB2 ALA A 93 20.385 -3.532 2.177 1.00 0.00 H new ATOM 0 HB3 ALA A 93 19.700 -1.966 2.672 1.00 0.00 H new