USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=18 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 52 SER OG : rot 150:sc= 0.509 USER MOD Set 1.2: A 53 LYS NZ :NH3+ 166:sc= 0.555 (180deg=-0.105) USER MOD Set 2.1: A 28 CYS SG : rot 89:sc= -0.262 USER MOD Set 2.2: A 32 MET CE :methyl -108:sc= -7.94! (180deg=-8.47!) USER MOD Set 3.1: A 24 MET CE :methyl 155:sc= -0.395 (180deg=-0.803) USER MOD Set 3.2: A 79 GLN : amide:sc= -0.0967 X(o=-0.49,f=-0.96) USER MOD Single : A 23 THR OG1 : rot -54:sc= 1.24 USER MOD Single : A 27 GLN : amide:sc= -0.165 X(o=-0.17,f=0) USER MOD Single : A 29 SER OG : rot -24:sc= 0.562 USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 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+ -174:sc= 0.678 (180deg=0.649) USER MOD Single : A 45 GLN : amide:sc= -0.155 X(o=-0.16,f=-0.051) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 170:sc= -1.29 (180deg=-1.44) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0323) USER MOD Single : A 67 CYS SG : rot 17:sc= -4.68! USER MOD Single : A 72 THR OG1 : rot -169:sc= 0.0366 USER MOD Single : A 74 SER OG : rot 160:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0312 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.255 X(o=-0.26,f=-0.048) USER MOD Single : A 85 SER OG : rot 160:sc= 0.864 USER MOD Single : A 89 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.022) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 270 N GLY A 20 15.030 7.512 1.593 1.00 0.00 N ATOM 271 CA GLY A 20 13.881 7.512 0.707 1.00 0.00 C ATOM 272 C GLY A 20 13.754 6.205 -0.064 1.00 0.00 C ATOM 273 O GLY A 20 12.638 5.886 -0.477 1.00 0.00 O ATOM 0 HA2 GLY A 20 12.975 7.679 1.289 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.966 8.341 0.004 1.00 0.00 H new ATOM 277 N PHE A 21 14.833 5.420 -0.184 1.00 0.00 N ATOM 278 CA PHE A 21 14.821 3.996 -0.499 1.00 0.00 C ATOM 279 C PHE A 21 15.824 3.289 0.409 1.00 0.00 C ATOM 280 O PHE A 21 16.835 3.888 0.778 1.00 0.00 O ATOM 281 CB PHE A 21 15.200 3.748 -1.969 1.00 0.00 C ATOM 282 CG PHE A 21 14.082 4.013 -2.955 1.00 0.00 C ATOM 283 CD1 PHE A 21 13.907 5.300 -3.495 1.00 0.00 C ATOM 284 CD2 PHE A 21 13.202 2.977 -3.320 1.00 0.00 C ATOM 285 CE1 PHE A 21 12.840 5.548 -4.373 1.00 0.00 C ATOM 286 CE2 PHE A 21 12.125 3.239 -4.185 1.00 0.00 C ATOM 287 CZ PHE A 21 11.930 4.528 -4.705 1.00 0.00 C ATOM 0 H PHE A 21 15.778 5.782 -0.057 1.00 0.00 H new ATOM 0 HA PHE A 21 13.815 3.608 -0.339 1.00 0.00 H new ATOM 0 HB2 PHE A 21 16.051 4.380 -2.224 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.527 2.714 -2.078 1.00 0.00 H new ATOM 0 HD1 PHE A 21 14.591 6.094 -3.235 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.354 1.979 -2.935 1.00 0.00 H new ATOM 0 HE1 PHE A 21 12.716 6.533 -4.798 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.444 2.444 -4.451 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.091 4.734 -5.353 1.00 0.00 H new ATOM 297 N VAL A 22 15.558 2.020 0.719 1.00 0.00 N ATOM 298 CA VAL A 22 16.504 1.077 1.305 1.00 0.00 C ATOM 299 C VAL A 22 16.479 -0.222 0.507 1.00 0.00 C ATOM 300 O VAL A 22 15.417 -0.629 0.034 1.00 0.00 O ATOM 301 CB VAL A 22 16.107 0.862 2.779 1.00 0.00 C ATOM 302 CG1 VAL A 22 14.979 -0.147 3.011 1.00 0.00 C ATOM 303 CG2 VAL A 22 17.292 0.471 3.665 1.00 0.00 C ATOM 0 H VAL A 22 14.639 1.606 0.561 1.00 0.00 H new ATOM 0 HA VAL A 22 17.524 1.459 1.271 1.00 0.00 H new ATOM 0 HB VAL A 22 15.733 1.845 3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 22 14.775 -0.226 4.079 1.00 0.00 H new ATOM 0 HG12 VAL A 22 14.080 0.187 2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 22 15.278 -1.122 2.626 1.00 0.00 H new ATOM 0 HG21 VAL A 22 16.950 0.334 4.691 1.00 0.00 H new ATOM 0 HG22 VAL A 22 17.728 -0.459 3.300 1.00 0.00 H new ATOM 0 HG23 VAL A 22 18.044 1.260 3.636 1.00 0.00 H new ATOM 313 N THR A 23 17.610 -0.915 0.429 1.00 0.00 N ATOM 314 CA THR A 23 17.638 -2.300 -0.016 1.00 0.00 C ATOM 315 C THR A 23 17.063 -3.179 1.108 1.00 0.00 C ATOM 316 O THR A 23 17.332 -2.926 2.288 1.00 0.00 O ATOM 317 CB THR A 23 19.076 -2.686 -0.398 1.00 0.00 C ATOM 318 OG1 THR A 23 19.723 -1.648 -1.112 1.00 0.00 O ATOM 319 CG2 THR A 23 19.151 -3.955 -1.248 1.00 0.00 C ATOM 0 H THR A 23 18.525 -0.535 0.671 1.00 0.00 H new ATOM 0 HA THR A 23 17.025 -2.446 -0.906 1.00 0.00 H new ATOM 0 HB THR A 23 19.579 -2.867 0.552 1.00 0.00 H new ATOM 0 HG1 THR A 23 19.177 -1.393 -1.885 1.00 0.00 H new ATOM 0 HG21 THR A 23 20.192 -4.174 -1.484 1.00 0.00 H new ATOM 0 HG22 THR A 23 18.722 -4.790 -0.694 1.00 0.00 H new ATOM 0 HG23 THR A 23 18.593 -3.807 -2.172 1.00 0.00 H new ATOM 327 N MET A 24 16.310 -4.232 0.777 1.00 0.00 N ATOM 328 CA MET A 24 16.050 -5.348 1.667 1.00 0.00 C ATOM 329 C MET A 24 16.556 -6.629 1.016 1.00 0.00 C ATOM 330 O MET A 24 16.765 -6.711 -0.200 1.00 0.00 O ATOM 331 CB MET A 24 14.564 -5.472 2.031 1.00 0.00 C ATOM 332 CG MET A 24 14.010 -4.236 2.728 1.00 0.00 C ATOM 333 SD MET A 24 12.322 -4.425 3.391 1.00 0.00 S ATOM 334 CE MET A 24 12.498 -5.910 4.425 1.00 0.00 C ATOM 0 H MET A 24 15.860 -4.327 -0.134 1.00 0.00 H new ATOM 0 HA MET A 24 16.581 -5.171 2.602 1.00 0.00 H new ATOM 0 HB2 MET A 24 13.989 -5.658 1.124 1.00 0.00 H new ATOM 0 HB3 MET A 24 14.427 -6.338 2.678 1.00 0.00 H new ATOM 0 HG2 MET A 24 14.679 -3.967 3.546 1.00 0.00 H new ATOM 0 HG3 MET A 24 14.018 -3.405 2.023 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.740 -5.900 5.208 1.00 0.00 H new ATOM 0 HE2 MET A 24 12.371 -6.800 3.808 1.00 0.00 H new ATOM 0 HE3 MET A 24 13.489 -5.922 4.879 1.00 0.00 H new ATOM 344 N ILE A 25 16.773 -7.619 1.871 1.00 0.00 N ATOM 345 CA ILE A 25 17.667 -8.740 1.622 1.00 0.00 C ATOM 346 C ILE A 25 16.859 -10.012 1.837 1.00 0.00 C ATOM 347 O ILE A 25 16.256 -10.178 2.903 1.00 0.00 O ATOM 348 CB ILE A 25 18.866 -8.675 2.606 1.00 0.00 C ATOM 349 CG1 ILE A 25 19.561 -7.292 2.660 1.00 0.00 C ATOM 350 CG2 ILE A 25 19.901 -9.796 2.377 1.00 0.00 C ATOM 351 CD1 ILE A 25 20.105 -6.775 1.322 1.00 0.00 C ATOM 0 H ILE A 25 16.319 -7.665 2.783 1.00 0.00 H new ATOM 0 HA ILE A 25 18.066 -8.715 0.608 1.00 0.00 H new ATOM 0 HB ILE A 25 18.412 -8.838 3.583 1.00 0.00 H new ATOM 0 HG12 ILE A 25 18.851 -6.563 3.050 1.00 0.00 H new ATOM 0 HG13 ILE A 25 20.385 -7.346 3.371 1.00 0.00 H new ATOM 0 HG21 ILE A 25 20.713 -9.694 3.097 1.00 0.00 H new ATOM 0 HG22 ILE A 25 19.421 -10.766 2.506 1.00 0.00 H new ATOM 0 HG23 ILE A 25 20.301 -9.721 1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 25 20.571 -5.801 1.471 1.00 0.00 H new ATOM 0 HD12 ILE A 25 20.844 -7.476 0.935 1.00 0.00 H new ATOM 0 HD13 ILE A 25 19.286 -6.680 0.609 1.00 0.00 H new ATOM 363 N LEU A 26 16.886 -10.932 0.876 1.00 0.00 N ATOM 364 CA LEU A 26 16.200 -12.214 0.967 1.00 0.00 C ATOM 365 C LEU A 26 17.216 -13.353 0.943 1.00 0.00 C ATOM 366 O LEU A 26 18.307 -13.244 0.372 1.00 0.00 O ATOM 367 CB LEU A 26 15.169 -12.344 -0.167 1.00 0.00 C ATOM 368 CG LEU A 26 13.727 -12.028 0.247 1.00 0.00 C ATOM 369 CD1 LEU A 26 13.536 -10.566 0.688 1.00 0.00 C ATOM 370 CD2 LEU A 26 12.794 -12.380 -0.910 1.00 0.00 C ATOM 0 H LEU A 26 17.393 -10.804 0.000 1.00 0.00 H new ATOM 0 HA LEU A 26 15.660 -12.271 1.912 1.00 0.00 H new ATOM 0 HB2 LEU A 26 15.455 -11.676 -0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.207 -13.360 -0.561 1.00 0.00 H new ATOM 0 HG LEU A 26 13.485 -12.633 1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.495 -10.404 0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.179 -10.357 1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.798 -9.901 -0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.765 -12.159 -0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.064 -11.791 -1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.887 -13.441 -1.143 1.00 0.00 H new ATOM 382 N GLN A 27 16.831 -14.463 1.566 1.00 0.00 N ATOM 383 CA GLN A 27 17.621 -15.667 1.766 1.00 0.00 C ATOM 384 C GLN A 27 16.663 -16.852 1.665 1.00 0.00 C ATOM 385 O GLN A 27 15.511 -16.740 2.088 1.00 0.00 O ATOM 386 CB GLN A 27 18.226 -15.604 3.180 1.00 0.00 C ATOM 387 CG GLN A 27 19.573 -14.882 3.252 1.00 0.00 C ATOM 388 CD GLN A 27 20.733 -15.859 3.107 1.00 0.00 C ATOM 389 OE1 GLN A 27 21.371 -16.238 4.088 1.00 0.00 O ATOM 390 NE2 GLN A 27 20.977 -16.338 1.897 1.00 0.00 N ATOM 0 H GLN A 27 15.898 -14.548 1.969 1.00 0.00 H new ATOM 0 HA GLN A 27 18.420 -15.763 1.031 1.00 0.00 H new ATOM 0 HB2 GLN A 27 17.521 -15.102 3.843 1.00 0.00 H new ATOM 0 HB3 GLN A 27 18.350 -16.620 3.556 1.00 0.00 H new ATOM 0 HG2 GLN A 27 19.628 -14.130 2.465 1.00 0.00 H new ATOM 0 HG3 GLN A 27 19.655 -14.355 4.203 1.00 0.00 H new ATOM 0 HE21 GLN A 27 20.434 -16.008 1.099 1.00 0.00 H new ATOM 0 HE22 GLN A 27 21.708 -17.037 1.763 1.00 0.00 H new ATOM 399 N CYS A 28 17.104 -17.984 1.114 1.00 0.00 N ATOM 400 CA CYS A 28 16.274 -19.176 1.071 1.00 0.00 C ATOM 401 C CYS A 28 17.113 -20.438 1.255 1.00 0.00 C ATOM 402 O CYS A 28 18.187 -20.563 0.672 1.00 0.00 O ATOM 403 CB CYS A 28 15.465 -19.203 -0.240 1.00 0.00 C ATOM 404 SG CYS A 28 16.426 -18.785 -1.724 1.00 0.00 S ATOM 0 H CYS A 28 18.027 -18.095 0.695 1.00 0.00 H new ATOM 0 HA CYS A 28 15.568 -19.148 1.901 1.00 0.00 H new ATOM 0 HB2 CYS A 28 15.036 -20.197 -0.368 1.00 0.00 H new ATOM 0 HB3 CYS A 28 14.632 -18.505 -0.153 1.00 0.00 H new ATOM 0 HG CYS A 28 16.966 -19.863 -2.209 1.00 0.00 H new ATOM 410 N SER A 29 16.584 -21.419 1.989 1.00 0.00 N ATOM 411 CA SER A 29 17.118 -22.780 2.116 1.00 0.00 C ATOM 412 C SER A 29 16.870 -23.619 0.836 1.00 0.00 C ATOM 413 O SER A 29 16.950 -24.853 0.857 1.00 0.00 O ATOM 414 CB SER A 29 16.513 -23.375 3.404 1.00 0.00 C ATOM 415 OG SER A 29 16.844 -24.737 3.638 1.00 0.00 O ATOM 0 H SER A 29 15.734 -21.282 2.536 1.00 0.00 H new ATOM 0 HA SER A 29 18.204 -22.781 2.207 1.00 0.00 H new ATOM 0 HB2 SER A 29 16.848 -22.782 4.255 1.00 0.00 H new ATOM 0 HB3 SER A 29 15.428 -23.281 3.357 1.00 0.00 H new ATOM 0 HG SER A 29 17.073 -25.169 2.788 1.00 0.00 H new ATOM 421 N ILE A 30 16.547 -22.988 -0.293 1.00 0.00 N ATOM 422 CA ILE A 30 16.312 -23.624 -1.581 1.00 0.00 C ATOM 423 C ILE A 30 16.973 -22.766 -2.656 1.00 0.00 C ATOM 424 O ILE A 30 17.419 -21.651 -2.392 1.00 0.00 O ATOM 425 CB ILE A 30 14.800 -23.822 -1.860 1.00 0.00 C ATOM 426 CG1 ILE A 30 14.003 -22.503 -1.740 1.00 0.00 C ATOM 427 CG2 ILE A 30 14.230 -24.901 -0.924 1.00 0.00 C ATOM 428 CD1 ILE A 30 12.567 -22.619 -2.256 1.00 0.00 C ATOM 0 H ILE A 30 16.438 -21.975 -0.332 1.00 0.00 H new ATOM 0 HA ILE A 30 16.748 -24.623 -1.582 1.00 0.00 H new ATOM 0 HB ILE A 30 14.694 -24.155 -2.892 1.00 0.00 H new ATOM 0 HG12 ILE A 30 13.983 -22.191 -0.696 1.00 0.00 H new ATOM 0 HG13 ILE A 30 14.520 -21.721 -2.296 1.00 0.00 H new ATOM 0 HG21 ILE A 30 13.167 -25.034 -1.127 1.00 0.00 H new ATOM 0 HG22 ILE A 30 14.752 -25.843 -1.094 1.00 0.00 H new ATOM 0 HG23 ILE A 30 14.366 -24.592 0.112 1.00 0.00 H new ATOM 0 HD11 ILE A 30 12.061 -21.660 -2.144 1.00 0.00 H new ATOM 0 HD12 ILE A 30 12.580 -22.901 -3.309 1.00 0.00 H new ATOM 0 HD13 ILE A 30 12.035 -23.379 -1.683 1.00 0.00 H new ATOM 440 N GLU A 31 17.031 -23.303 -3.865 1.00 0.00 N ATOM 441 CA GLU A 31 17.330 -22.568 -5.078 1.00 0.00 C ATOM 442 C GLU A 31 16.047 -21.888 -5.528 1.00 0.00 C ATOM 443 O GLU A 31 14.949 -22.374 -5.258 1.00 0.00 O ATOM 444 CB GLU A 31 17.828 -23.605 -6.085 1.00 0.00 C ATOM 445 CG GLU A 31 18.260 -23.109 -7.470 1.00 0.00 C ATOM 446 CD GLU A 31 18.619 -24.322 -8.336 1.00 0.00 C ATOM 447 OE1 GLU A 31 19.647 -24.983 -8.058 1.00 0.00 O ATOM 448 OE2 GLU A 31 17.827 -24.711 -9.224 1.00 0.00 O ATOM 0 H GLU A 31 16.865 -24.296 -4.031 1.00 0.00 H new ATOM 0 HA GLU A 31 18.089 -21.795 -4.955 1.00 0.00 H new ATOM 0 HB2 GLU A 31 18.674 -24.127 -5.637 1.00 0.00 H new ATOM 0 HB3 GLU A 31 17.037 -24.342 -6.225 1.00 0.00 H new ATOM 0 HG2 GLU A 31 17.456 -22.538 -7.934 1.00 0.00 H new ATOM 0 HG3 GLU A 31 19.117 -22.441 -7.382 1.00 0.00 H new ATOM 455 N MET A 32 16.196 -20.766 -6.228 1.00 0.00 N ATOM 456 CA MET A 32 15.093 -20.056 -6.847 1.00 0.00 C ATOM 457 C MET A 32 15.289 -20.089 -8.367 1.00 0.00 C ATOM 458 O MET A 32 15.906 -19.168 -8.905 1.00 0.00 O ATOM 459 CB MET A 32 14.993 -18.620 -6.323 1.00 0.00 C ATOM 460 CG MET A 32 14.540 -18.544 -4.867 1.00 0.00 C ATOM 461 SD MET A 32 13.993 -16.883 -4.386 1.00 0.00 S ATOM 462 CE MET A 32 15.550 -15.957 -4.472 1.00 0.00 C ATOM 0 H MET A 32 17.102 -20.323 -6.380 1.00 0.00 H new ATOM 0 HA MET A 32 14.152 -20.544 -6.592 1.00 0.00 H new ATOM 0 HB2 MET A 32 15.964 -18.135 -6.421 1.00 0.00 H new ATOM 0 HB3 MET A 32 14.294 -18.061 -6.945 1.00 0.00 H new ATOM 0 HG2 MET A 32 13.725 -19.250 -4.708 1.00 0.00 H new ATOM 0 HG3 MET A 32 15.361 -18.853 -4.219 1.00 0.00 H new ATOM 0 HE1 MET A 32 15.888 -15.720 -3.463 1.00 0.00 H new ATOM 0 HE2 MET A 32 16.305 -16.561 -4.976 1.00 0.00 H new ATOM 0 HE3 MET A 32 15.394 -15.033 -5.029 1.00 0.00 H new ATOM 472 N PRO A 33 14.839 -21.132 -9.087 1.00 0.00 N ATOM 473 CA PRO A 33 15.003 -21.203 -10.539 1.00 0.00 C ATOM 474 C PRO A 33 14.295 -20.057 -11.272 1.00 0.00 C ATOM 475 O PRO A 33 14.686 -19.682 -12.379 1.00 0.00 O ATOM 476 CB PRO A 33 14.459 -22.572 -10.958 1.00 0.00 C ATOM 477 CG PRO A 33 13.478 -22.912 -9.841 1.00 0.00 C ATOM 478 CD PRO A 33 14.138 -22.307 -8.602 1.00 0.00 C ATOM 0 HA PRO A 33 16.053 -21.092 -10.811 1.00 0.00 H new ATOM 0 HB2 PRO A 33 13.965 -22.529 -11.929 1.00 0.00 H new ATOM 0 HB3 PRO A 33 15.253 -23.314 -11.037 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.494 -22.481 -10.024 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.341 -23.989 -9.739 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.396 -22.041 -7.849 1.00 0.00 H new ATOM 0 HD3 PRO A 33 14.826 -23.013 -8.136 1.00 0.00 H new ATOM 486 N ASN A 34 13.274 -19.453 -10.657 1.00 0.00 N ATOM 487 CA ASN A 34 12.697 -18.214 -11.144 1.00 0.00 C ATOM 488 C ASN A 34 12.394 -17.273 -10.002 1.00 0.00 C ATOM 489 O ASN A 34 12.111 -17.688 -8.879 1.00 0.00 O ATOM 490 CB ASN A 34 11.444 -18.444 -11.987 1.00 0.00 C ATOM 491 CG ASN A 34 10.260 -18.973 -11.191 1.00 0.00 C ATOM 492 OD1 ASN A 34 9.416 -18.199 -10.749 1.00 0.00 O ATOM 493 ND2 ASN A 34 10.153 -20.282 -11.035 1.00 0.00 N ATOM 0 H ASN A 34 12.832 -19.814 -9.812 1.00 0.00 H new ATOM 0 HA ASN A 34 13.445 -17.756 -11.792 1.00 0.00 H new ATOM 0 HB2 ASN A 34 11.160 -17.506 -12.463 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.678 -19.149 -12.785 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.353 -20.673 -10.536 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.870 -20.901 -11.413 1.00 0.00 H new ATOM 500 N ILE A 35 12.419 -15.993 -10.342 1.00 0.00 N ATOM 501 CA ILE A 35 12.296 -14.881 -9.413 1.00 0.00 C ATOM 502 C ILE A 35 10.934 -14.888 -8.705 1.00 0.00 C ATOM 503 O ILE A 35 10.809 -14.404 -7.580 1.00 0.00 O ATOM 504 CB ILE A 35 12.627 -13.586 -10.190 1.00 0.00 C ATOM 505 CG1 ILE A 35 12.878 -12.407 -9.240 1.00 0.00 C ATOM 506 CG2 ILE A 35 11.574 -13.249 -11.266 1.00 0.00 C ATOM 507 CD1 ILE A 35 13.677 -11.298 -9.927 1.00 0.00 C ATOM 0 H ILE A 35 12.530 -15.690 -11.309 1.00 0.00 H new ATOM 0 HA ILE A 35 13.007 -14.964 -8.591 1.00 0.00 H new ATOM 0 HB ILE A 35 13.556 -13.775 -10.728 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.925 -12.009 -8.892 1.00 0.00 H new ATOM 0 HG13 ILE A 35 13.418 -12.755 -8.360 1.00 0.00 H new ATOM 0 HG21 ILE A 35 11.859 -12.330 -11.779 1.00 0.00 H new ATOM 0 HG22 ILE A 35 11.517 -14.064 -11.987 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.601 -13.114 -10.793 1.00 0.00 H new ATOM 0 HD11 ILE A 35 13.837 -10.478 -9.227 1.00 0.00 H new ATOM 0 HD12 ILE A 35 14.640 -11.691 -10.252 1.00 0.00 H new ATOM 0 HD13 ILE A 35 13.123 -10.933 -10.792 1.00 0.00 H new ATOM 519 N SER A 36 9.902 -15.487 -9.312 1.00 0.00 N ATOM 520 CA SER A 36 8.588 -15.576 -8.698 1.00 0.00 C ATOM 521 C SER A 36 8.553 -16.498 -7.469 1.00 0.00 C ATOM 522 O SER A 36 7.521 -16.556 -6.800 1.00 0.00 O ATOM 523 CB SER A 36 7.511 -15.954 -9.724 1.00 0.00 C ATOM 524 OG SER A 36 6.333 -15.211 -9.475 1.00 0.00 O ATOM 0 H SER A 36 9.961 -15.918 -10.235 1.00 0.00 H new ATOM 0 HA SER A 36 8.359 -14.577 -8.327 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.871 -15.755 -10.733 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.298 -17.021 -9.666 1.00 0.00 H new ATOM 0 HG SER A 36 5.648 -15.454 -10.133 1.00 0.00 H new ATOM 530 N TYR A 37 9.632 -17.217 -7.131 1.00 0.00 N ATOM 531 CA TYR A 37 9.737 -17.861 -5.825 1.00 0.00 C ATOM 532 C TYR A 37 9.640 -16.793 -4.732 1.00 0.00 C ATOM 533 O TYR A 37 8.770 -16.884 -3.872 1.00 0.00 O ATOM 534 CB TYR A 37 11.045 -18.656 -5.723 1.00 0.00 C ATOM 535 CG TYR A 37 10.934 -20.107 -6.157 1.00 0.00 C ATOM 536 CD1 TYR A 37 10.819 -20.451 -7.518 1.00 0.00 C ATOM 537 CD2 TYR A 37 10.956 -21.121 -5.181 1.00 0.00 C ATOM 538 CE1 TYR A 37 10.729 -21.799 -7.893 1.00 0.00 C ATOM 539 CE2 TYR A 37 10.893 -22.472 -5.555 1.00 0.00 C ATOM 540 CZ TYR A 37 10.794 -22.814 -6.917 1.00 0.00 C ATOM 541 OH TYR A 37 10.749 -24.117 -7.306 1.00 0.00 O ATOM 0 H TYR A 37 10.436 -17.364 -7.742 1.00 0.00 H new ATOM 0 HA TYR A 37 8.918 -18.569 -5.695 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.803 -18.164 -6.333 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.396 -18.624 -4.691 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.800 -19.678 -8.272 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.022 -20.857 -4.136 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.609 -22.061 -8.934 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.920 -23.246 -4.802 1.00 0.00 H new ATOM 0 HH TYR A 37 10.805 -24.696 -6.517 1.00 0.00 H new ATOM 551 N ALA A 38 10.514 -15.784 -4.778 1.00 0.00 N ATOM 552 CA ALA A 38 10.526 -14.709 -3.802 1.00 0.00 C ATOM 553 C ALA A 38 9.234 -13.907 -3.855 1.00 0.00 C ATOM 554 O ALA A 38 8.660 -13.622 -2.806 1.00 0.00 O ATOM 555 CB ALA A 38 11.728 -13.809 -4.059 1.00 0.00 C ATOM 0 H ALA A 38 11.232 -15.696 -5.497 1.00 0.00 H new ATOM 0 HA ALA A 38 10.604 -15.139 -2.804 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.740 -13.001 -3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.645 -14.392 -3.971 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.660 -13.389 -5.063 1.00 0.00 H new ATOM 561 N TRP A 39 8.773 -13.539 -5.056 1.00 0.00 N ATOM 562 CA TRP A 39 7.542 -12.769 -5.180 1.00 0.00 C ATOM 563 C TRP A 39 6.365 -13.456 -4.512 1.00 0.00 C ATOM 564 O TRP A 39 5.565 -12.756 -3.900 1.00 0.00 O ATOM 565 CB TRP A 39 7.185 -12.496 -6.636 1.00 0.00 C ATOM 566 CG TRP A 39 7.991 -11.411 -7.261 1.00 0.00 C ATOM 567 CD1 TRP A 39 8.979 -11.528 -8.176 1.00 0.00 C ATOM 568 CD2 TRP A 39 7.844 -9.991 -7.004 1.00 0.00 C ATOM 569 NE1 TRP A 39 9.425 -10.269 -8.527 1.00 0.00 N ATOM 570 CE2 TRP A 39 8.726 -9.285 -7.866 1.00 0.00 C ATOM 571 CE3 TRP A 39 7.046 -9.235 -6.120 1.00 0.00 C ATOM 572 CZ2 TRP A 39 8.761 -7.887 -7.910 1.00 0.00 C ATOM 573 CZ3 TRP A 39 7.081 -7.832 -6.142 1.00 0.00 C ATOM 574 CH2 TRP A 39 7.901 -7.163 -7.066 1.00 0.00 C ATOM 0 H TRP A 39 9.230 -13.761 -5.941 1.00 0.00 H new ATOM 0 HA TRP A 39 7.737 -11.824 -4.673 1.00 0.00 H new ATOM 0 HB2 TRP A 39 7.319 -13.412 -7.211 1.00 0.00 H new ATOM 0 HB3 TRP A 39 6.129 -12.233 -6.698 1.00 0.00 H new ATOM 0 HD1 TRP A 39 9.359 -12.459 -8.570 1.00 0.00 H new ATOM 0 HE1 TRP A 39 10.177 -10.091 -9.192 1.00 0.00 H new ATOM 0 HE3 TRP A 39 6.400 -9.742 -5.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.436 -7.374 -8.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 6.477 -7.266 -5.448 1.00 0.00 H new ATOM 0 HH2 TRP A 39 7.870 -6.085 -7.128 1.00 0.00 H new ATOM 585 N LYS A 40 6.241 -14.782 -4.651 1.00 0.00 N ATOM 586 CA LYS A 40 5.165 -15.515 -4.006 1.00 0.00 C ATOM 587 C LYS A 40 5.209 -15.297 -2.507 1.00 0.00 C ATOM 588 O LYS A 40 4.203 -14.861 -1.969 1.00 0.00 O ATOM 589 CB LYS A 40 5.210 -17.004 -4.349 1.00 0.00 C ATOM 590 CG LYS A 40 4.498 -17.296 -5.669 1.00 0.00 C ATOM 591 CD LYS A 40 4.407 -18.809 -5.837 1.00 0.00 C ATOM 592 CE LYS A 40 3.734 -19.130 -7.165 1.00 0.00 C ATOM 593 NZ LYS A 40 3.277 -20.526 -7.186 1.00 0.00 N ATOM 0 H LYS A 40 6.874 -15.360 -5.204 1.00 0.00 H new ATOM 0 HA LYS A 40 4.219 -15.129 -4.386 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.247 -17.332 -4.413 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.743 -17.577 -3.548 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.502 -16.853 -5.670 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.045 -16.853 -6.502 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.403 -19.250 -5.805 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.839 -19.244 -5.014 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.887 -18.462 -7.321 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.432 -18.957 -7.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.821 -20.728 -8.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.092 -21.160 -7.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.595 -20.680 -6.416 1.00 0.00 H new ATOM 607 N GLU A 41 6.341 -15.547 -1.848 1.00 0.00 N ATOM 608 CA GLU A 41 6.384 -15.433 -0.395 1.00 0.00 C ATOM 609 C GLU A 41 6.046 -14.007 0.035 1.00 0.00 C ATOM 610 O GLU A 41 5.275 -13.817 0.978 1.00 0.00 O ATOM 611 CB GLU A 41 7.764 -15.815 0.152 1.00 0.00 C ATOM 612 CG GLU A 41 7.661 -16.274 1.615 1.00 0.00 C ATOM 613 CD GLU A 41 7.000 -17.641 1.843 1.00 0.00 C ATOM 614 OE1 GLU A 41 7.090 -18.568 1.000 1.00 0.00 O ATOM 615 OE2 GLU A 41 6.438 -17.819 2.954 1.00 0.00 O ATOM 0 H GLU A 41 7.219 -15.823 -2.287 1.00 0.00 H new ATOM 0 HA GLU A 41 5.645 -16.123 0.012 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.193 -16.612 -0.455 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.438 -14.961 0.080 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.665 -16.302 2.038 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.101 -15.523 2.173 1.00 0.00 H new ATOM 622 N LEU A 42 6.624 -12.998 -0.645 1.00 0.00 N ATOM 623 CA LEU A 42 6.322 -11.608 -0.305 1.00 0.00 C ATOM 624 C LEU A 42 4.817 -11.362 -0.382 1.00 0.00 C ATOM 625 O LEU A 42 4.236 -10.752 0.514 1.00 0.00 O ATOM 626 CB LEU A 42 7.034 -10.557 -1.186 1.00 0.00 C ATOM 627 CG LEU A 42 8.430 -10.065 -0.750 1.00 0.00 C ATOM 628 CD1 LEU A 42 8.616 -9.905 0.766 1.00 0.00 C ATOM 629 CD2 LEU A 42 9.536 -10.957 -1.303 1.00 0.00 C ATOM 0 H LEU A 42 7.285 -13.120 -1.412 1.00 0.00 H new ATOM 0 HA LEU A 42 6.700 -11.478 0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.126 -10.971 -2.190 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.382 -9.687 -1.259 1.00 0.00 H new ATOM 0 HG LEU A 42 8.503 -9.065 -1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.627 -9.556 0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.896 -9.180 1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.456 -10.866 1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.505 -10.580 -0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.400 -11.975 -0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.495 -10.955 -2.392 1.00 0.00 H new ATOM 641 N LYS A 43 4.206 -11.812 -1.476 1.00 0.00 N ATOM 642 CA LYS A 43 2.787 -11.662 -1.744 1.00 0.00 C ATOM 643 C LYS A 43 1.941 -12.462 -0.751 1.00 0.00 C ATOM 644 O LYS A 43 0.851 -12.013 -0.413 1.00 0.00 O ATOM 645 CB LYS A 43 2.522 -12.082 -3.198 1.00 0.00 C ATOM 646 CG LYS A 43 2.924 -10.970 -4.194 1.00 0.00 C ATOM 647 CD LYS A 43 2.730 -11.352 -5.670 1.00 0.00 C ATOM 648 CE LYS A 43 3.273 -10.206 -6.539 1.00 0.00 C ATOM 649 NZ LYS A 43 2.943 -10.320 -7.978 1.00 0.00 N ATOM 0 H LYS A 43 4.703 -12.304 -2.218 1.00 0.00 H new ATOM 0 HA LYS A 43 2.495 -10.620 -1.613 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.080 -12.991 -3.422 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.465 -12.318 -3.322 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.338 -10.076 -3.981 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.970 -10.711 -4.031 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.255 -12.281 -5.894 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.675 -11.523 -5.883 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.879 -9.262 -6.162 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.357 -10.165 -6.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.429 -9.567 -8.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.253 -11.247 -8.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.915 -10.225 -8.107 1.00 0.00 H new ATOM 663 N GLU A 44 2.414 -13.607 -0.262 1.00 0.00 N ATOM 664 CA GLU A 44 1.647 -14.466 0.634 1.00 0.00 C ATOM 665 C GLU A 44 1.485 -13.838 2.022 1.00 0.00 C ATOM 666 O GLU A 44 0.508 -14.134 2.719 1.00 0.00 O ATOM 667 CB GLU A 44 2.322 -15.846 0.765 1.00 0.00 C ATOM 668 CG GLU A 44 1.296 -16.982 0.639 1.00 0.00 C ATOM 669 CD GLU A 44 1.647 -18.233 1.450 1.00 0.00 C ATOM 670 OE1 GLU A 44 1.953 -18.115 2.660 1.00 0.00 O ATOM 671 OE2 GLU A 44 1.502 -19.359 0.916 1.00 0.00 O ATOM 0 H GLU A 44 3.344 -13.965 -0.478 1.00 0.00 H new ATOM 0 HA GLU A 44 0.655 -14.586 0.198 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.085 -15.955 -0.006 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.829 -15.916 1.727 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.322 -16.615 0.961 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.202 -17.257 -0.411 1.00 0.00 H new ATOM 678 N GLN A 45 2.439 -12.997 2.430 1.00 0.00 N ATOM 679 CA GLN A 45 2.406 -12.271 3.694 1.00 0.00 C ATOM 680 C GLN A 45 1.785 -10.884 3.486 1.00 0.00 C ATOM 681 O GLN A 45 0.797 -10.536 4.128 1.00 0.00 O ATOM 682 CB GLN A 45 3.832 -12.150 4.266 1.00 0.00 C ATOM 683 CG GLN A 45 4.512 -13.482 4.648 1.00 0.00 C ATOM 684 CD GLN A 45 3.755 -14.332 5.665 1.00 0.00 C ATOM 685 OE1 GLN A 45 3.806 -15.562 5.622 1.00 0.00 O ATOM 686 NE2 GLN A 45 3.094 -13.737 6.639 1.00 0.00 N ATOM 0 H GLN A 45 3.272 -12.800 1.876 1.00 0.00 H new ATOM 0 HA GLN A 45 1.792 -12.819 4.408 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.457 -11.641 3.532 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.797 -11.514 5.150 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.656 -14.071 3.742 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.503 -13.264 5.047 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.050 -12.719 6.678 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.627 -14.295 7.354 1.00 0.00 H new ATOM 695 N LEU A 46 2.367 -10.081 2.594 1.00 0.00 N ATOM 696 CA LEU A 46 2.031 -8.668 2.436 1.00 0.00 C ATOM 697 C LEU A 46 0.750 -8.472 1.608 1.00 0.00 C ATOM 698 O LEU A 46 0.212 -7.360 1.580 1.00 0.00 O ATOM 699 CB LEU A 46 3.213 -7.931 1.766 1.00 0.00 C ATOM 700 CG LEU A 46 4.573 -8.023 2.501 1.00 0.00 C ATOM 701 CD1 LEU A 46 5.710 -7.483 1.633 1.00 0.00 C ATOM 702 CD2 LEU A 46 4.536 -7.231 3.807 1.00 0.00 C ATOM 0 H LEU A 46 3.094 -10.399 1.953 1.00 0.00 H new ATOM 0 HA LEU A 46 1.846 -8.252 3.426 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.339 -8.328 0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.948 -6.879 1.663 1.00 0.00 H new ATOM 0 HG LEU A 46 4.753 -9.077 2.713 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.651 -7.561 2.177 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.773 -8.064 0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.517 -6.438 1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.501 -7.309 4.307 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.322 -6.184 3.592 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.758 -7.634 4.455 1.00 0.00 H new ATOM 714 N GLY A 47 0.236 -9.510 0.952 1.00 0.00 N ATOM 715 CA GLY A 47 -0.864 -9.469 -0.003 1.00 0.00 C ATOM 716 C GLY A 47 -0.329 -9.355 -1.425 1.00 0.00 C ATOM 717 O GLY A 47 0.767 -8.835 -1.653 1.00 0.00 O ATOM 0 H GLY A 47 0.598 -10.455 1.082 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.471 -10.369 0.093 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.514 -8.622 0.217 1.00 0.00 H new ATOM 721 N GLU A 48 -1.103 -9.825 -2.402 1.00 0.00 N ATOM 722 CA GLU A 48 -0.591 -10.095 -3.732 1.00 0.00 C ATOM 723 C GLU A 48 -0.204 -8.829 -4.500 1.00 0.00 C ATOM 724 O GLU A 48 0.655 -8.852 -5.382 1.00 0.00 O ATOM 725 CB GLU A 48 -1.589 -10.988 -4.490 1.00 0.00 C ATOM 726 CG GLU A 48 -1.080 -12.436 -4.459 1.00 0.00 C ATOM 727 CD GLU A 48 -1.735 -13.385 -5.449 1.00 0.00 C ATOM 728 OE1 GLU A 48 -1.748 -13.068 -6.661 1.00 0.00 O ATOM 729 OE2 GLU A 48 -2.013 -14.546 -5.073 1.00 0.00 O ATOM 0 H GLU A 48 -2.096 -10.026 -2.289 1.00 0.00 H new ATOM 0 HA GLU A 48 0.349 -10.639 -3.635 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.576 -10.925 -4.031 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.694 -10.647 -5.520 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.006 -12.429 -4.647 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.225 -12.832 -3.454 1.00 0.00 H new ATOM 736 N GLU A 49 -0.791 -7.700 -4.127 1.00 0.00 N ATOM 737 CA GLU A 49 -0.682 -6.455 -4.859 1.00 0.00 C ATOM 738 C GLU A 49 0.561 -5.647 -4.471 1.00 0.00 C ATOM 739 O GLU A 49 0.709 -4.494 -4.879 1.00 0.00 O ATOM 740 CB GLU A 49 -1.972 -5.651 -4.647 1.00 0.00 C ATOM 741 CG GLU A 49 -3.240 -6.357 -5.158 1.00 0.00 C ATOM 742 CD GLU A 49 -3.740 -7.575 -4.368 1.00 0.00 C ATOM 743 OE1 GLU A 49 -3.485 -7.685 -3.144 1.00 0.00 O ATOM 744 OE2 GLU A 49 -4.451 -8.399 -4.989 1.00 0.00 O ATOM 0 H GLU A 49 -1.367 -7.627 -3.289 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.558 -6.681 -5.918 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.088 -5.443 -3.583 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.876 -4.689 -5.151 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.045 -5.622 -5.189 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.058 -6.674 -6.185 1.00 0.00 H new ATOM 751 N ILE A 50 1.449 -6.209 -3.647 1.00 0.00 N ATOM 752 CA ILE A 50 2.674 -5.557 -3.178 1.00 0.00 C ATOM 753 C ILE A 50 3.612 -5.189 -4.339 1.00 0.00 C ATOM 754 O ILE A 50 4.424 -4.266 -4.230 1.00 0.00 O ATOM 755 CB ILE A 50 3.332 -6.492 -2.141 1.00 0.00 C ATOM 756 CG1 ILE A 50 4.306 -5.727 -1.238 1.00 0.00 C ATOM 757 CG2 ILE A 50 4.035 -7.709 -2.767 1.00 0.00 C ATOM 758 CD1 ILE A 50 3.572 -4.797 -0.268 1.00 0.00 C ATOM 0 H ILE A 50 1.333 -7.153 -3.279 1.00 0.00 H new ATOM 0 HA ILE A 50 2.439 -4.604 -2.704 1.00 0.00 H new ATOM 0 HB ILE A 50 2.511 -6.879 -1.538 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.911 -6.436 -0.674 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.990 -5.143 -1.854 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.474 -8.321 -1.979 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.309 -8.301 -3.324 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.820 -7.368 -3.442 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.298 -4.274 0.354 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.987 -4.071 -0.832 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.907 -5.384 0.366 1.00 0.00 H new ATOM 770 N ASP A 51 3.475 -5.897 -5.465 1.00 0.00 N ATOM 771 CA ASP A 51 4.206 -5.761 -6.724 1.00 0.00 C ATOM 772 C ASP A 51 3.788 -4.461 -7.428 1.00 0.00 C ATOM 773 O ASP A 51 3.008 -4.402 -8.383 1.00 0.00 O ATOM 774 CB ASP A 51 3.967 -7.057 -7.508 1.00 0.00 C ATOM 775 CG ASP A 51 4.649 -7.184 -8.865 1.00 0.00 C ATOM 776 OD1 ASP A 51 5.347 -6.246 -9.310 1.00 0.00 O ATOM 777 OD2 ASP A 51 4.347 -8.200 -9.541 1.00 0.00 O ATOM 0 H ASP A 51 2.786 -6.647 -5.521 1.00 0.00 H new ATOM 0 HA ASP A 51 5.283 -5.654 -6.598 1.00 0.00 H new ATOM 0 HB2 ASP A 51 4.291 -7.892 -6.887 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.893 -7.169 -7.657 1.00 0.00 H new ATOM 782 N SER A 52 4.265 -3.382 -6.823 1.00 0.00 N ATOM 783 CA SER A 52 4.039 -1.965 -7.046 1.00 0.00 C ATOM 784 C SER A 52 5.153 -1.236 -6.291 1.00 0.00 C ATOM 785 O SER A 52 5.840 -0.389 -6.860 1.00 0.00 O ATOM 786 CB SER A 52 2.648 -1.581 -6.537 1.00 0.00 C ATOM 787 OG SER A 52 2.457 -0.209 -6.227 1.00 0.00 O ATOM 0 H SER A 52 4.917 -3.505 -6.048 1.00 0.00 H new ATOM 0 HA SER A 52 4.067 -1.697 -8.102 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.915 -1.869 -7.290 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.434 -2.168 -5.644 1.00 0.00 H new ATOM 0 HG SER A 52 1.520 0.034 -6.380 1.00 0.00 H new ATOM 793 N LYS A 53 5.363 -1.580 -5.012 1.00 0.00 N ATOM 794 CA LYS A 53 6.217 -0.822 -4.094 1.00 0.00 C ATOM 795 C LYS A 53 7.680 -1.260 -4.164 1.00 0.00 C ATOM 796 O LYS A 53 8.494 -0.774 -3.379 1.00 0.00 O ATOM 797 CB LYS A 53 5.670 -0.937 -2.653 1.00 0.00 C ATOM 798 CG LYS A 53 4.342 -0.191 -2.430 1.00 0.00 C ATOM 799 CD LYS A 53 3.105 -1.075 -2.659 1.00 0.00 C ATOM 800 CE LYS A 53 1.781 -0.317 -2.511 1.00 0.00 C ATOM 801 NZ LYS A 53 1.643 0.788 -3.487 1.00 0.00 N ATOM 0 H LYS A 53 4.938 -2.403 -4.584 1.00 0.00 H new ATOM 0 HA LYS A 53 6.193 0.223 -4.403 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.529 -1.990 -2.411 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.415 -0.548 -1.959 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.318 0.199 -1.413 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.297 0.666 -3.101 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.157 -1.509 -3.657 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.123 -1.903 -1.950 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.952 -1.014 -2.637 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.708 0.085 -1.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.655 1.111 -3.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.260 1.577 -3.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.917 0.452 -4.432 1.00 0.00 H new ATOM 815 N VAL A 54 8.051 -2.176 -5.059 1.00 0.00 N ATOM 816 CA VAL A 54 9.385 -2.782 -5.083 1.00 0.00 C ATOM 817 C VAL A 54 10.113 -2.347 -6.361 1.00 0.00 C ATOM 818 O VAL A 54 9.480 -1.876 -7.312 1.00 0.00 O ATOM 819 CB VAL A 54 9.267 -4.314 -4.918 1.00 0.00 C ATOM 820 CG1 VAL A 54 10.646 -4.934 -4.677 1.00 0.00 C ATOM 821 CG2 VAL A 54 8.362 -4.715 -3.734 1.00 0.00 C ATOM 0 H VAL A 54 7.432 -2.521 -5.792 1.00 0.00 H new ATOM 0 HA VAL A 54 9.989 -2.435 -4.245 1.00 0.00 H new ATOM 0 HB VAL A 54 8.825 -4.683 -5.843 1.00 0.00 H new ATOM 0 HG11 VAL A 54 10.545 -6.013 -4.563 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.295 -4.718 -5.525 1.00 0.00 H new ATOM 0 HG13 VAL A 54 11.081 -4.513 -3.771 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.314 -5.802 -3.664 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.772 -4.310 -2.809 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.359 -4.317 -3.891 1.00 0.00 H new ATOM 831 N LYS A 55 11.447 -2.421 -6.371 1.00 0.00 N ATOM 832 CA LYS A 55 12.296 -2.186 -7.543 1.00 0.00 C ATOM 833 C LYS A 55 12.462 -3.473 -8.360 1.00 0.00 C ATOM 834 O LYS A 55 11.866 -4.499 -8.028 1.00 0.00 O ATOM 835 CB LYS A 55 13.651 -1.632 -7.069 1.00 0.00 C ATOM 836 CG LYS A 55 13.638 -0.193 -6.531 1.00 0.00 C ATOM 837 CD LYS A 55 13.000 0.879 -7.430 1.00 0.00 C ATOM 838 CE LYS A 55 11.503 0.993 -7.138 1.00 0.00 C ATOM 839 NZ LYS A 55 10.754 1.777 -8.132 1.00 0.00 N ATOM 0 H LYS A 55 11.984 -2.654 -5.536 1.00 0.00 H new ATOM 0 HA LYS A 55 11.827 -1.454 -8.201 1.00 0.00 H new ATOM 0 HB2 LYS A 55 14.036 -2.288 -6.288 1.00 0.00 H new ATOM 0 HB3 LYS A 55 14.353 -1.681 -7.902 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.112 -0.192 -5.576 1.00 0.00 H new ATOM 0 HG3 LYS A 55 14.667 0.103 -6.328 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.485 1.841 -7.261 1.00 0.00 H new ATOM 0 HD3 LYS A 55 13.155 0.624 -8.478 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.077 -0.009 -7.086 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.369 1.448 -6.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.749 1.808 -7.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.133 2.745 -8.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.850 1.333 -9.068 1.00 0.00 H new ATOM 853 N GLY A 56 13.254 -3.404 -9.434 1.00 0.00 N ATOM 854 CA GLY A 56 13.625 -4.539 -10.259 1.00 0.00 C ATOM 855 C GLY A 56 14.488 -5.486 -9.440 1.00 0.00 C ATOM 856 O GLY A 56 15.685 -5.265 -9.283 1.00 0.00 O ATOM 0 H GLY A 56 13.663 -2.527 -9.756 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.732 -5.055 -10.613 1.00 0.00 H new ATOM 0 HA3 GLY A 56 14.169 -4.201 -11.141 1.00 0.00 H new ATOM 860 N MET A 57 13.850 -6.491 -8.844 1.00 0.00 N ATOM 861 CA MET A 57 14.498 -7.493 -8.007 1.00 0.00 C ATOM 862 C MET A 57 15.595 -8.227 -8.793 1.00 0.00 C ATOM 863 O MET A 57 15.430 -8.530 -9.984 1.00 0.00 O ATOM 864 CB MET A 57 13.400 -8.426 -7.461 1.00 0.00 C ATOM 865 CG MET A 57 13.925 -9.568 -6.576 1.00 0.00 C ATOM 866 SD MET A 57 12.699 -10.821 -6.081 1.00 0.00 S ATOM 867 CE MET A 57 11.315 -9.822 -5.466 1.00 0.00 C ATOM 0 H MET A 57 12.844 -6.633 -8.933 1.00 0.00 H new ATOM 0 HA MET A 57 15.010 -7.035 -7.161 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.689 -7.833 -6.886 1.00 0.00 H new ATOM 0 HB3 MET A 57 12.853 -8.854 -8.301 1.00 0.00 H new ATOM 0 HG2 MET A 57 14.734 -10.070 -7.106 1.00 0.00 H new ATOM 0 HG3 MET A 57 14.356 -9.134 -5.674 1.00 0.00 H new ATOM 0 HE1 MET A 57 10.448 -10.462 -5.304 1.00 0.00 H new ATOM 0 HE2 MET A 57 11.597 -9.349 -4.525 1.00 0.00 H new ATOM 0 HE3 MET A 57 11.067 -9.054 -6.198 1.00 0.00 H new ATOM 877 N VAL A 58 16.699 -8.543 -8.111 1.00 0.00 N ATOM 878 CA VAL A 58 17.877 -9.165 -8.690 1.00 0.00 C ATOM 879 C VAL A 58 18.265 -10.400 -7.887 1.00 0.00 C ATOM 880 O VAL A 58 18.097 -10.453 -6.666 1.00 0.00 O ATOM 881 CB VAL A 58 19.036 -8.152 -8.799 1.00 0.00 C ATOM 882 CG1 VAL A 58 18.781 -7.164 -9.942 1.00 0.00 C ATOM 883 CG2 VAL A 58 19.320 -7.379 -7.500 1.00 0.00 C ATOM 0 H VAL A 58 16.793 -8.365 -7.111 1.00 0.00 H new ATOM 0 HA VAL A 58 17.646 -9.490 -9.704 1.00 0.00 H new ATOM 0 HB VAL A 58 19.925 -8.748 -9.004 1.00 0.00 H new ATOM 0 HG11 VAL A 58 19.609 -6.457 -10.004 1.00 0.00 H new ATOM 0 HG12 VAL A 58 18.698 -7.709 -10.882 1.00 0.00 H new ATOM 0 HG13 VAL A 58 17.854 -6.622 -9.754 1.00 0.00 H new ATOM 0 HG21 VAL A 58 20.148 -6.688 -7.661 1.00 0.00 H new ATOM 0 HG22 VAL A 58 18.432 -6.819 -7.208 1.00 0.00 H new ATOM 0 HG23 VAL A 58 19.582 -8.081 -6.709 1.00 0.00 H new ATOM 893 N PHE A 59 18.814 -11.394 -8.583 1.00 0.00 N ATOM 894 CA PHE A 59 19.427 -12.550 -7.954 1.00 0.00 C ATOM 895 C PHE A 59 20.744 -12.133 -7.314 1.00 0.00 C ATOM 896 O PHE A 59 21.417 -11.208 -7.788 1.00 0.00 O ATOM 897 CB PHE A 59 19.623 -13.657 -8.992 1.00 0.00 C ATOM 898 CG PHE A 59 18.315 -14.339 -9.334 1.00 0.00 C ATOM 899 CD1 PHE A 59 17.810 -15.333 -8.477 1.00 0.00 C ATOM 900 CD2 PHE A 59 17.577 -13.970 -10.476 1.00 0.00 C ATOM 901 CE1 PHE A 59 16.597 -15.972 -8.777 1.00 0.00 C ATOM 902 CE2 PHE A 59 16.373 -14.619 -10.780 1.00 0.00 C ATOM 903 CZ PHE A 59 15.887 -15.631 -9.937 1.00 0.00 C ATOM 0 H PHE A 59 18.843 -11.415 -9.602 1.00 0.00 H new ATOM 0 HA PHE A 59 18.780 -12.943 -7.170 1.00 0.00 H new ATOM 0 HB2 PHE A 59 20.061 -13.235 -9.896 1.00 0.00 H new ATOM 0 HB3 PHE A 59 20.329 -14.394 -8.610 1.00 0.00 H new ATOM 0 HD1 PHE A 59 18.357 -15.605 -7.586 1.00 0.00 H new ATOM 0 HD2 PHE A 59 17.941 -13.183 -11.120 1.00 0.00 H new ATOM 0 HE1 PHE A 59 16.209 -16.729 -8.112 1.00 0.00 H new ATOM 0 HE2 PHE A 59 15.818 -14.340 -11.664 1.00 0.00 H new ATOM 0 HZ PHE A 59 14.969 -16.145 -10.181 1.00 0.00 H new ATOM 913 N LEU A 60 21.085 -12.811 -6.219 1.00 0.00 N ATOM 914 CA LEU A 60 22.350 -12.652 -5.521 1.00 0.00 C ATOM 915 C LEU A 60 23.429 -13.503 -6.188 1.00 0.00 C ATOM 916 O LEU A 60 23.155 -14.286 -7.099 1.00 0.00 O ATOM 917 CB LEU A 60 22.170 -13.029 -4.036 1.00 0.00 C ATOM 918 CG LEU A 60 21.446 -11.967 -3.188 1.00 0.00 C ATOM 919 CD1 LEU A 60 21.212 -12.526 -1.777 1.00 0.00 C ATOM 920 CD2 LEU A 60 22.272 -10.681 -3.067 1.00 0.00 C ATOM 0 H LEU A 60 20.471 -13.501 -5.786 1.00 0.00 H new ATOM 0 HA LEU A 60 22.671 -11.612 -5.573 1.00 0.00 H new ATOM 0 HB2 LEU A 60 21.613 -13.964 -3.977 1.00 0.00 H new ATOM 0 HB3 LEU A 60 23.152 -13.215 -3.600 1.00 0.00 H new ATOM 0 HG LEU A 60 20.503 -11.730 -3.680 1.00 0.00 H new ATOM 0 HD11 LEU A 60 20.700 -11.779 -1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 60 20.600 -13.426 -1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 60 22.170 -12.770 -1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 60 21.729 -9.955 -2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 60 23.228 -10.906 -2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 60 22.448 -10.267 -4.060 1.00 0.00 H new ATOM 932 N LYS A 61 24.666 -13.378 -5.689 1.00 0.00 N ATOM 933 CA LYS A 61 25.860 -14.095 -6.159 1.00 0.00 C ATOM 934 C LYS A 61 25.711 -15.614 -6.094 1.00 0.00 C ATOM 935 O LYS A 61 26.512 -16.346 -6.674 1.00 0.00 O ATOM 936 CB LYS A 61 27.092 -13.718 -5.313 1.00 0.00 C ATOM 937 CG LYS A 61 27.300 -12.216 -5.013 1.00 0.00 C ATOM 938 CD LYS A 61 27.674 -11.955 -3.547 1.00 0.00 C ATOM 939 CE LYS A 61 26.541 -12.356 -2.587 1.00 0.00 C ATOM 940 NZ LYS A 61 26.947 -12.288 -1.173 1.00 0.00 N ATOM 0 H LYS A 61 24.871 -12.748 -4.914 1.00 0.00 H new ATOM 0 HA LYS A 61 25.986 -13.796 -7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 61 27.026 -14.248 -4.363 1.00 0.00 H new ATOM 0 HB3 LYS A 61 27.981 -14.088 -5.824 1.00 0.00 H new ATOM 0 HG2 LYS A 61 28.085 -11.825 -5.660 1.00 0.00 H new ATOM 0 HG3 LYS A 61 26.387 -11.671 -5.254 1.00 0.00 H new ATOM 0 HD2 LYS A 61 28.576 -12.513 -3.297 1.00 0.00 H new ATOM 0 HD3 LYS A 61 27.906 -10.898 -3.414 1.00 0.00 H new ATOM 0 HE2 LYS A 61 25.685 -11.701 -2.747 1.00 0.00 H new ATOM 0 HE3 LYS A 61 26.215 -13.370 -2.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 26.148 -12.568 -0.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 27.747 -12.933 -1.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 27.233 -11.316 -0.940 1.00 0.00 H new ATOM 954 N GLY A 62 24.726 -16.076 -5.341 1.00 0.00 N ATOM 955 CA GLY A 62 24.304 -17.440 -5.183 1.00 0.00 C ATOM 956 C GLY A 62 22.831 -17.508 -5.499 1.00 0.00 C ATOM 957 O GLY A 62 22.042 -16.746 -4.943 1.00 0.00 O ATOM 0 H GLY A 62 24.158 -15.442 -4.779 1.00 0.00 H new ATOM 0 HA2 GLY A 62 24.868 -18.094 -5.849 1.00 0.00 H new ATOM 0 HA3 GLY A 62 24.492 -17.782 -4.165 1.00 0.00 H new ATOM 961 N LYS A 63 22.464 -18.481 -6.326 1.00 0.00 N ATOM 962 CA LYS A 63 21.106 -18.864 -6.703 1.00 0.00 C ATOM 963 C LYS A 63 20.182 -19.254 -5.533 1.00 0.00 C ATOM 964 O LYS A 63 19.058 -19.707 -5.766 1.00 0.00 O ATOM 965 CB LYS A 63 21.201 -19.947 -7.801 1.00 0.00 C ATOM 966 CG LYS A 63 22.030 -21.194 -7.444 1.00 0.00 C ATOM 967 CD LYS A 63 22.133 -22.129 -8.663 1.00 0.00 C ATOM 968 CE LYS A 63 23.131 -23.271 -8.437 1.00 0.00 C ATOM 969 NZ LYS A 63 24.536 -22.813 -8.405 1.00 0.00 N ATOM 0 H LYS A 63 23.160 -19.068 -6.786 1.00 0.00 H new ATOM 0 HA LYS A 63 20.605 -17.979 -7.095 1.00 0.00 H new ATOM 0 HB2 LYS A 63 20.191 -20.267 -8.057 1.00 0.00 H new ATOM 0 HB3 LYS A 63 21.629 -19.494 -8.695 1.00 0.00 H new ATOM 0 HG2 LYS A 63 23.027 -20.896 -7.119 1.00 0.00 H new ATOM 0 HG3 LYS A 63 21.567 -21.721 -6.610 1.00 0.00 H new ATOM 0 HD2 LYS A 63 21.150 -22.546 -8.882 1.00 0.00 H new ATOM 0 HD3 LYS A 63 22.436 -21.552 -9.536 1.00 0.00 H new ATOM 0 HE2 LYS A 63 22.896 -23.771 -7.497 1.00 0.00 H new ATOM 0 HE3 LYS A 63 23.014 -24.011 -9.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 25.169 -23.637 -8.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 24.744 -22.272 -9.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 24.685 -22.208 -7.572 1.00 0.00 H new ATOM 983 N LEU A 64 20.634 -19.065 -4.290 1.00 0.00 N ATOM 984 CA LEU A 64 19.956 -19.332 -3.026 1.00 0.00 C ATOM 985 C LEU A 64 19.551 -18.006 -2.345 1.00 0.00 C ATOM 986 O LEU A 64 19.437 -17.946 -1.116 1.00 0.00 O ATOM 987 CB LEU A 64 20.851 -20.186 -2.094 1.00 0.00 C ATOM 988 CG LEU A 64 21.589 -21.387 -2.725 1.00 0.00 C ATOM 989 CD1 LEU A 64 22.520 -22.055 -1.703 1.00 0.00 C ATOM 990 CD2 LEU A 64 20.633 -22.446 -3.274 1.00 0.00 C ATOM 0 H LEU A 64 21.568 -18.687 -4.133 1.00 0.00 H new ATOM 0 HA LEU A 64 19.049 -19.901 -3.231 1.00 0.00 H new ATOM 0 HB2 LEU A 64 21.597 -19.529 -1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 64 20.230 -20.561 -1.281 1.00 0.00 H new ATOM 0 HG LEU A 64 22.166 -20.980 -3.555 1.00 0.00 H new ATOM 0 HD11 LEU A 64 23.029 -22.898 -2.171 1.00 0.00 H new ATOM 0 HD12 LEU A 64 23.259 -21.332 -1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 64 21.934 -22.410 -0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 64 21.207 -23.266 -3.705 1.00 0.00 H new ATOM 0 HD22 LEU A 64 20.008 -22.826 -2.466 1.00 0.00 H new ATOM 0 HD23 LEU A 64 20.001 -22.002 -4.043 1.00 0.00 H new ATOM 1002 N GLY A 65 19.391 -16.914 -3.103 1.00 0.00 N ATOM 1003 CA GLY A 65 18.855 -15.670 -2.577 1.00 0.00 C ATOM 1004 C GLY A 65 18.645 -14.631 -3.677 1.00 0.00 C ATOM 1005 O GLY A 65 19.140 -14.779 -4.799 1.00 0.00 O ATOM 0 H GLY A 65 19.631 -16.876 -4.094 1.00 0.00 H new ATOM 0 HA2 GLY A 65 17.907 -15.866 -2.077 1.00 0.00 H new ATOM 0 HA3 GLY A 65 19.536 -15.270 -1.825 1.00 0.00 H new ATOM 1009 N VAL A 66 17.930 -13.565 -3.335 1.00 0.00 N ATOM 1010 CA VAL A 66 17.649 -12.391 -4.156 1.00 0.00 C ATOM 1011 C VAL A 66 17.712 -11.175 -3.226 1.00 0.00 C ATOM 1012 O VAL A 66 17.671 -11.345 -2.008 1.00 0.00 O ATOM 1013 CB VAL A 66 16.258 -12.526 -4.820 1.00 0.00 C ATOM 1014 CG1 VAL A 66 16.249 -13.392 -6.091 1.00 0.00 C ATOM 1015 CG2 VAL A 66 15.108 -12.644 -3.805 1.00 0.00 C ATOM 0 H VAL A 66 17.501 -13.493 -2.412 1.00 0.00 H new ATOM 0 HA VAL A 66 18.374 -12.284 -4.963 1.00 0.00 H new ATOM 0 HB VAL A 66 16.006 -11.568 -5.275 1.00 0.00 H new ATOM 0 HG11 VAL A 66 15.237 -13.436 -6.494 1.00 0.00 H new ATOM 0 HG12 VAL A 66 16.917 -12.955 -6.833 1.00 0.00 H new ATOM 0 HG13 VAL A 66 16.586 -14.399 -5.847 1.00 0.00 H new ATOM 0 HG21 VAL A 66 14.161 -12.736 -4.337 1.00 0.00 H new ATOM 0 HG22 VAL A 66 15.261 -13.526 -3.182 1.00 0.00 H new ATOM 0 HG23 VAL A 66 15.086 -11.755 -3.175 1.00 0.00 H new ATOM 1025 N CYS A 67 17.777 -9.958 -3.760 1.00 0.00 N ATOM 1026 CA CYS A 67 17.594 -8.714 -3.014 1.00 0.00 C ATOM 1027 C CYS A 67 16.899 -7.703 -3.941 1.00 0.00 C ATOM 1028 O CYS A 67 16.797 -7.924 -5.154 1.00 0.00 O ATOM 1029 CB CYS A 67 18.951 -8.201 -2.498 1.00 0.00 C ATOM 1030 SG CYS A 67 19.638 -9.228 -1.178 1.00 0.00 S ATOM 0 H CYS A 67 17.964 -9.805 -4.751 1.00 0.00 H new ATOM 0 HA CYS A 67 16.968 -8.872 -2.136 1.00 0.00 H new ATOM 0 HB2 CYS A 67 19.658 -8.163 -3.327 1.00 0.00 H new ATOM 0 HB3 CYS A 67 18.833 -7.181 -2.133 1.00 0.00 H new ATOM 0 HG CYS A 67 19.036 -10.380 -1.167 1.00 0.00 H new ATOM 1036 N PHE A 68 16.385 -6.618 -3.367 1.00 0.00 N ATOM 1037 CA PHE A 68 15.650 -5.555 -4.049 1.00 0.00 C ATOM 1038 C PHE A 68 15.578 -4.342 -3.122 1.00 0.00 C ATOM 1039 O PHE A 68 16.030 -4.421 -1.985 1.00 0.00 O ATOM 1040 CB PHE A 68 14.239 -6.049 -4.392 1.00 0.00 C ATOM 1041 CG PHE A 68 13.454 -6.610 -3.223 1.00 0.00 C ATOM 1042 CD1 PHE A 68 12.839 -5.754 -2.292 1.00 0.00 C ATOM 1043 CD2 PHE A 68 13.339 -8.000 -3.069 1.00 0.00 C ATOM 1044 CE1 PHE A 68 12.079 -6.287 -1.240 1.00 0.00 C ATOM 1045 CE2 PHE A 68 12.559 -8.533 -2.034 1.00 0.00 C ATOM 1046 CZ PHE A 68 11.929 -7.680 -1.117 1.00 0.00 C ATOM 0 H PHE A 68 16.474 -6.448 -2.365 1.00 0.00 H new ATOM 0 HA PHE A 68 16.155 -5.276 -4.974 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.676 -5.222 -4.825 1.00 0.00 H new ATOM 0 HB3 PHE A 68 14.317 -6.818 -5.160 1.00 0.00 H new ATOM 0 HD1 PHE A 68 12.952 -4.684 -2.387 1.00 0.00 H new ATOM 0 HD2 PHE A 68 13.853 -8.661 -3.750 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.609 -5.628 -0.525 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.443 -9.603 -1.943 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.330 -8.092 -0.318 1.00 0.00 H new ATOM 1056 N ASP A 69 14.939 -3.252 -3.550 1.00 0.00 N ATOM 1057 CA ASP A 69 14.842 -2.029 -2.757 1.00 0.00 C ATOM 1058 C ASP A 69 13.388 -1.611 -2.611 1.00 0.00 C ATOM 1059 O ASP A 69 12.561 -1.866 -3.501 1.00 0.00 O ATOM 1060 CB ASP A 69 15.660 -0.897 -3.387 1.00 0.00 C ATOM 1061 CG ASP A 69 17.152 -1.201 -3.508 1.00 0.00 C ATOM 1062 OD1 ASP A 69 17.523 -1.929 -4.457 1.00 0.00 O ATOM 1063 OD2 ASP A 69 17.928 -0.627 -2.711 1.00 0.00 O ATOM 0 H ASP A 69 14.475 -3.194 -4.456 1.00 0.00 H new ATOM 0 HA ASP A 69 15.253 -2.233 -1.768 1.00 0.00 H new ATOM 0 HB2 ASP A 69 15.262 -0.683 -4.379 1.00 0.00 H new ATOM 0 HB3 ASP A 69 15.531 0.006 -2.790 1.00 0.00 H new ATOM 1068 N VAL A 70 13.065 -0.938 -1.504 1.00 0.00 N ATOM 1069 CA VAL A 70 11.730 -0.421 -1.227 1.00 0.00 C ATOM 1070 C VAL A 70 11.857 1.030 -0.765 1.00 0.00 C ATOM 1071 O VAL A 70 12.878 1.376 -0.164 1.00 0.00 O ATOM 1072 CB VAL A 70 10.990 -1.331 -0.227 1.00 0.00 C ATOM 1073 CG1 VAL A 70 10.635 -2.659 -0.913 1.00 0.00 C ATOM 1074 CG2 VAL A 70 11.800 -1.601 1.047 1.00 0.00 C ATOM 0 H VAL A 70 13.738 -0.736 -0.765 1.00 0.00 H new ATOM 0 HA VAL A 70 11.116 -0.426 -2.128 1.00 0.00 H new ATOM 0 HB VAL A 70 10.085 -0.807 0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.112 -3.304 -0.208 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.993 -2.464 -1.772 1.00 0.00 H new ATOM 0 HG13 VAL A 70 11.548 -3.152 -1.247 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.227 -2.247 1.712 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.738 -2.090 0.785 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.011 -0.658 1.551 1.00 0.00 H new ATOM 1084 N PRO A 71 10.870 1.901 -1.038 1.00 0.00 N ATOM 1085 CA PRO A 71 10.894 3.248 -0.511 1.00 0.00 C ATOM 1086 C PRO A 71 10.808 3.149 0.999 1.00 0.00 C ATOM 1087 O PRO A 71 10.144 2.265 1.543 1.00 0.00 O ATOM 1088 CB PRO A 71 9.667 3.959 -1.084 1.00 0.00 C ATOM 1089 CG PRO A 71 8.691 2.808 -1.320 1.00 0.00 C ATOM 1090 CD PRO A 71 9.600 1.640 -1.694 1.00 0.00 C ATOM 0 HA PRO A 71 11.798 3.797 -0.777 1.00 0.00 H new ATOM 0 HB2 PRO A 71 9.264 4.695 -0.388 1.00 0.00 H new ATOM 0 HB3 PRO A 71 9.900 4.488 -2.008 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.104 2.590 -0.428 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.985 3.038 -2.118 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.176 0.692 -1.362 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.725 1.572 -2.775 1.00 0.00 H new ATOM 1098 N THR A 72 11.436 4.100 1.670 1.00 0.00 N ATOM 1099 CA THR A 72 11.511 4.116 3.113 1.00 0.00 C ATOM 1100 C THR A 72 10.117 4.091 3.738 1.00 0.00 C ATOM 1101 O THR A 72 9.906 3.435 4.752 1.00 0.00 O ATOM 1102 CB THR A 72 12.334 5.329 3.522 1.00 0.00 C ATOM 1103 OG1 THR A 72 13.579 5.230 2.868 1.00 0.00 O ATOM 1104 CG2 THR A 72 12.552 5.342 5.017 1.00 0.00 C ATOM 0 H THR A 72 11.909 4.885 1.222 1.00 0.00 H new ATOM 0 HA THR A 72 12.005 3.219 3.487 1.00 0.00 H new ATOM 0 HB THR A 72 11.814 6.247 3.247 1.00 0.00 H new ATOM 0 HG1 THR A 72 14.197 5.895 3.238 1.00 0.00 H new ATOM 0 HG21 THR A 72 13.142 6.216 5.291 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.588 5.381 5.525 1.00 0.00 H new ATOM 0 HG23 THR A 72 13.083 4.438 5.315 1.00 0.00 H new ATOM 1112 N ALA A 73 9.146 4.749 3.104 1.00 0.00 N ATOM 1113 CA ALA A 73 7.773 4.730 3.568 1.00 0.00 C ATOM 1114 C ALA A 73 7.263 3.290 3.695 1.00 0.00 C ATOM 1115 O ALA A 73 6.691 2.930 4.724 1.00 0.00 O ATOM 1116 CB ALA A 73 6.937 5.577 2.613 1.00 0.00 C ATOM 0 H ALA A 73 9.295 5.304 2.261 1.00 0.00 H new ATOM 0 HA ALA A 73 7.696 5.160 4.567 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.898 5.578 2.942 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.316 6.599 2.606 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.999 5.160 1.608 1.00 0.00 H new ATOM 1122 N SER A 74 7.528 2.443 2.696 1.00 0.00 N ATOM 1123 CA SER A 74 7.062 1.062 2.718 1.00 0.00 C ATOM 1124 C SER A 74 7.843 0.164 3.682 1.00 0.00 C ATOM 1125 O SER A 74 7.352 -0.921 3.970 1.00 0.00 O ATOM 1126 CB SER A 74 7.119 0.482 1.304 1.00 0.00 C ATOM 1127 OG SER A 74 6.168 1.141 0.482 1.00 0.00 O ATOM 0 H SER A 74 8.063 2.694 1.864 1.00 0.00 H new ATOM 0 HA SER A 74 6.036 1.084 3.085 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.120 0.604 0.890 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.913 -0.588 1.330 1.00 0.00 H new ATOM 0 HG SER A 74 6.408 1.017 -0.460 1.00 0.00 H new ATOM 1133 N VAL A 75 9.014 0.569 4.189 1.00 0.00 N ATOM 1134 CA VAL A 75 9.851 -0.280 5.047 1.00 0.00 C ATOM 1135 C VAL A 75 9.057 -0.757 6.257 1.00 0.00 C ATOM 1136 O VAL A 75 9.021 -1.958 6.526 1.00 0.00 O ATOM 1137 CB VAL A 75 11.151 0.444 5.446 1.00 0.00 C ATOM 1138 CG1 VAL A 75 12.020 -0.335 6.445 1.00 0.00 C ATOM 1139 CG2 VAL A 75 11.996 0.658 4.189 1.00 0.00 C ATOM 0 H VAL A 75 9.408 1.494 4.016 1.00 0.00 H new ATOM 0 HA VAL A 75 10.148 -1.164 4.483 1.00 0.00 H new ATOM 0 HB VAL A 75 10.846 1.375 5.925 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.916 0.242 6.675 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.455 -0.508 7.361 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.307 -1.292 6.009 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.921 1.170 4.455 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.232 -0.307 3.740 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.439 1.264 3.475 1.00 0.00 H new ATOM 1149 N THR A 76 8.404 0.156 6.977 1.00 0.00 N ATOM 1150 CA THR A 76 7.594 -0.205 8.131 1.00 0.00 C ATOM 1151 C THR A 76 6.475 -1.154 7.706 1.00 0.00 C ATOM 1152 O THR A 76 6.275 -2.200 8.323 1.00 0.00 O ATOM 1153 CB THR A 76 7.025 1.062 8.791 1.00 0.00 C ATOM 1154 OG1 THR A 76 7.949 2.139 8.710 1.00 0.00 O ATOM 1155 CG2 THR A 76 6.662 0.822 10.252 1.00 0.00 C ATOM 0 H THR A 76 8.424 1.156 6.776 1.00 0.00 H new ATOM 0 HA THR A 76 8.217 -0.719 8.863 1.00 0.00 H new ATOM 0 HB THR A 76 6.119 1.321 8.244 1.00 0.00 H new ATOM 0 HG1 THR A 76 7.563 2.933 9.135 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.264 1.740 10.683 1.00 0.00 H new ATOM 0 HG22 THR A 76 5.910 0.035 10.316 1.00 0.00 H new ATOM 0 HG23 THR A 76 7.552 0.519 10.803 1.00 0.00 H new ATOM 1163 N GLU A 77 5.834 -0.853 6.576 1.00 0.00 N ATOM 1164 CA GLU A 77 4.712 -1.588 6.012 1.00 0.00 C ATOM 1165 C GLU A 77 5.123 -2.957 5.432 1.00 0.00 C ATOM 1166 O GLU A 77 4.345 -3.601 4.719 1.00 0.00 O ATOM 1167 CB GLU A 77 4.043 -0.684 4.963 1.00 0.00 C ATOM 1168 CG GLU A 77 2.522 -0.877 4.937 1.00 0.00 C ATOM 1169 CD GLU A 77 1.875 -0.112 3.787 1.00 0.00 C ATOM 1170 OE1 GLU A 77 2.205 1.074 3.550 1.00 0.00 O ATOM 1171 OE2 GLU A 77 1.015 -0.701 3.085 1.00 0.00 O ATOM 0 H GLU A 77 6.100 -0.050 6.005 1.00 0.00 H new ATOM 0 HA GLU A 77 4.002 -1.830 6.802 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.274 0.359 5.180 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.455 -0.903 3.978 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.292 -1.938 4.843 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.096 -0.541 5.883 1.00 0.00 H new ATOM 1178 N ILE A 78 6.341 -3.417 5.736 1.00 0.00 N ATOM 1179 CA ILE A 78 6.853 -4.755 5.492 1.00 0.00 C ATOM 1180 C ILE A 78 7.428 -5.298 6.800 1.00 0.00 C ATOM 1181 O ILE A 78 7.089 -6.410 7.187 1.00 0.00 O ATOM 1182 CB ILE A 78 7.929 -4.755 4.387 1.00 0.00 C ATOM 1183 CG1 ILE A 78 7.514 -4.071 3.065 1.00 0.00 C ATOM 1184 CG2 ILE A 78 8.352 -6.201 4.084 1.00 0.00 C ATOM 1185 CD1 ILE A 78 8.709 -3.329 2.457 1.00 0.00 C ATOM 0 H ILE A 78 7.034 -2.821 6.188 1.00 0.00 H new ATOM 0 HA ILE A 78 6.040 -5.393 5.146 1.00 0.00 H new ATOM 0 HB ILE A 78 8.751 -4.162 4.787 1.00 0.00 H new ATOM 0 HG12 ILE A 78 7.143 -4.817 2.362 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.698 -3.372 3.249 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.112 -6.202 3.303 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.758 -6.658 4.986 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.486 -6.771 3.747 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.405 -2.851 1.526 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.060 -2.571 3.156 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.513 -4.037 2.256 1.00 0.00 H new ATOM 1197 N GLN A 79 8.283 -4.540 7.494 1.00 0.00 N ATOM 1198 CA GLN A 79 8.930 -4.988 8.727 1.00 0.00 C ATOM 1199 C GLN A 79 7.953 -5.178 9.893 1.00 0.00 C ATOM 1200 O GLN A 79 8.287 -5.862 10.860 1.00 0.00 O ATOM 1201 CB GLN A 79 10.086 -4.048 9.094 1.00 0.00 C ATOM 1202 CG GLN A 79 11.217 -4.092 8.045 1.00 0.00 C ATOM 1203 CD GLN A 79 12.577 -4.485 8.634 1.00 0.00 C ATOM 1204 OE1 GLN A 79 12.907 -4.145 9.773 1.00 0.00 O ATOM 1205 NE2 GLN A 79 13.423 -5.171 7.879 1.00 0.00 N ATOM 0 H GLN A 79 8.545 -3.595 7.214 1.00 0.00 H new ATOM 0 HA GLN A 79 9.337 -5.980 8.531 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.711 -3.028 9.181 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.484 -4.326 10.070 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.949 -4.802 7.262 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.303 -3.114 7.572 1.00 0.00 H new ATOM 0 HE21 GLN A 79 13.152 -5.453 6.937 1.00 0.00 H new ATOM 0 HE22 GLN A 79 14.345 -5.417 8.240 1.00 0.00 H new ATOM 1214 N GLU A 80 6.737 -4.639 9.811 1.00 0.00 N ATOM 1215 CA GLU A 80 5.644 -4.942 10.687 1.00 0.00 C ATOM 1216 C GLU A 80 4.687 -5.966 10.052 1.00 0.00 C ATOM 1217 O GLU A 80 4.046 -6.757 10.744 1.00 0.00 O ATOM 1218 CB GLU A 80 4.959 -3.591 10.945 1.00 0.00 C ATOM 1219 CG GLU A 80 3.754 -3.848 11.811 1.00 0.00 C ATOM 1220 CD GLU A 80 3.203 -2.646 12.563 1.00 0.00 C ATOM 1221 OE1 GLU A 80 3.964 -2.050 13.357 1.00 0.00 O ATOM 1222 OE2 GLU A 80 1.973 -2.418 12.481 1.00 0.00 O ATOM 0 H GLU A 80 6.493 -3.953 9.097 1.00 0.00 H new ATOM 0 HA GLU A 80 5.975 -5.404 11.617 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.645 -2.902 11.438 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.662 -3.127 10.005 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.960 -4.254 11.183 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.011 -4.619 12.537 1.00 0.00 H new ATOM 1229 N LYS A 81 4.530 -5.930 8.730 1.00 0.00 N ATOM 1230 CA LYS A 81 3.530 -6.693 7.975 1.00 0.00 C ATOM 1231 C LYS A 81 4.051 -8.038 7.464 1.00 0.00 C ATOM 1232 O LYS A 81 3.480 -8.603 6.537 1.00 0.00 O ATOM 1233 CB LYS A 81 2.959 -5.799 6.860 1.00 0.00 C ATOM 1234 CG LYS A 81 1.785 -4.956 7.378 1.00 0.00 C ATOM 1235 CD LYS A 81 0.513 -5.817 7.498 1.00 0.00 C ATOM 1236 CE LYS A 81 -0.436 -5.538 6.335 1.00 0.00 C ATOM 1237 NZ LYS A 81 -1.643 -6.387 6.383 1.00 0.00 N ATOM 0 H LYS A 81 5.116 -5.348 8.131 1.00 0.00 H new ATOM 0 HA LYS A 81 2.721 -6.969 8.651 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.742 -5.143 6.478 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.627 -6.418 6.027 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.036 -4.531 8.350 1.00 0.00 H new ATOM 0 HG3 LYS A 81 1.603 -4.121 6.702 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.782 -6.873 7.510 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.012 -5.605 8.442 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.731 -4.489 6.353 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.087 -5.706 5.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.258 -6.163 5.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.365 -7.388 6.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.158 -6.209 7.269 1.00 0.00 H new ATOM 1251 N TRP A 82 5.137 -8.536 8.042 1.00 0.00 N ATOM 1252 CA TRP A 82 5.735 -9.820 7.726 1.00 0.00 C ATOM 1253 C TRP A 82 5.763 -10.647 9.004 1.00 0.00 C ATOM 1254 O TRP A 82 5.779 -10.085 10.101 1.00 0.00 O ATOM 1255 CB TRP A 82 7.152 -9.521 7.231 1.00 0.00 C ATOM 1256 CG TRP A 82 8.015 -10.680 6.865 1.00 0.00 C ATOM 1257 CD1 TRP A 82 8.967 -11.240 7.645 1.00 0.00 C ATOM 1258 CD2 TRP A 82 8.038 -11.418 5.609 1.00 0.00 C ATOM 1259 NE1 TRP A 82 9.619 -12.216 6.923 1.00 0.00 N ATOM 1260 CE2 TRP A 82 9.061 -12.405 5.679 1.00 0.00 C ATOM 1261 CE3 TRP A 82 7.284 -11.360 4.423 1.00 0.00 C ATOM 1262 CZ2 TRP A 82 9.327 -13.289 4.622 1.00 0.00 C ATOM 1263 CZ3 TRP A 82 7.509 -12.276 3.380 1.00 0.00 C ATOM 1264 CH2 TRP A 82 8.547 -13.216 3.463 1.00 0.00 C ATOM 0 H TRP A 82 5.642 -8.034 8.772 1.00 0.00 H new ATOM 0 HA TRP A 82 5.184 -10.376 6.967 1.00 0.00 H new ATOM 0 HB2 TRP A 82 7.073 -8.872 6.359 1.00 0.00 H new ATOM 0 HB3 TRP A 82 7.665 -8.952 8.006 1.00 0.00 H new ATOM 0 HD1 TRP A 82 9.182 -10.967 8.668 1.00 0.00 H new ATOM 0 HE1 TRP A 82 10.423 -12.739 7.271 1.00 0.00 H new ATOM 0 HE3 TRP A 82 6.522 -10.602 4.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 10.122 -14.015 4.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 6.876 -12.256 2.505 1.00 0.00 H new ATOM 0 HH2 TRP A 82 8.743 -13.881 2.635 1.00 0.00 H new ATOM 1275 N HIS A 83 5.849 -11.969 8.891 1.00 0.00 N ATOM 1276 CA HIS A 83 6.297 -12.822 9.978 1.00 0.00 C ATOM 1277 C HIS A 83 7.297 -13.804 9.380 1.00 0.00 C ATOM 1278 O HIS A 83 7.163 -14.184 8.216 1.00 0.00 O ATOM 1279 CB HIS A 83 5.094 -13.506 10.642 1.00 0.00 C ATOM 1280 CG HIS A 83 5.364 -14.051 12.024 1.00 0.00 C ATOM 1281 ND1 HIS A 83 4.852 -15.221 12.533 1.00 0.00 N ATOM 1282 CD2 HIS A 83 6.062 -13.434 13.031 1.00 0.00 C ATOM 1283 CE1 HIS A 83 5.255 -15.319 13.808 1.00 0.00 C ATOM 1284 NE2 HIS A 83 5.984 -14.248 14.164 1.00 0.00 N ATOM 0 H HIS A 83 5.609 -12.477 8.040 1.00 0.00 H new ATOM 0 HA HIS A 83 6.786 -12.258 10.772 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.274 -12.791 10.702 1.00 0.00 H new ATOM 0 HB3 HIS A 83 4.759 -14.323 10.003 1.00 0.00 H new ATOM 0 HD2 HIS A 83 6.579 -12.488 12.961 1.00 0.00 H new ATOM 0 HE1 HIS A 83 5.025 -16.148 14.461 1.00 0.00 H new ATOM 0 HE2 HIS A 83 6.398 -14.066 15.078 1.00 0.00 H new ATOM 1292 N ASP A 84 8.314 -14.175 10.158 1.00 0.00 N ATOM 1293 CA ASP A 84 9.410 -15.045 9.727 1.00 0.00 C ATOM 1294 C ASP A 84 8.905 -16.434 9.307 1.00 0.00 C ATOM 1295 O ASP A 84 7.796 -16.829 9.676 1.00 0.00 O ATOM 1296 CB ASP A 84 10.458 -15.192 10.846 1.00 0.00 C ATOM 1297 CG ASP A 84 10.057 -16.260 11.874 1.00 0.00 C ATOM 1298 OD1 ASP A 84 9.237 -15.949 12.769 1.00 0.00 O ATOM 1299 OD2 ASP A 84 10.533 -17.415 11.746 1.00 0.00 O ATOM 0 H ASP A 84 8.401 -13.872 11.128 1.00 0.00 H new ATOM 0 HA ASP A 84 9.871 -14.574 8.859 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.421 -15.454 10.408 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.587 -14.234 11.350 1.00 0.00 H new ATOM 1304 N SER A 85 9.728 -17.220 8.606 1.00 0.00 N ATOM 1305 CA SER A 85 9.360 -18.541 8.104 1.00 0.00 C ATOM 1306 C SER A 85 10.405 -19.580 8.497 1.00 0.00 C ATOM 1307 O SER A 85 11.595 -19.284 8.678 1.00 0.00 O ATOM 1308 CB SER A 85 9.154 -18.462 6.578 1.00 0.00 C ATOM 1309 OG SER A 85 9.128 -19.715 5.914 1.00 0.00 O ATOM 0 H SER A 85 10.683 -16.949 8.370 1.00 0.00 H new ATOM 0 HA SER A 85 8.422 -18.862 8.557 1.00 0.00 H new ATOM 0 HB2 SER A 85 8.217 -17.942 6.379 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.952 -17.856 6.149 1.00 0.00 H new ATOM 0 HG SER A 85 8.687 -19.615 5.044 1.00 0.00 H new ATOM 1315 N ARG A 86 9.970 -20.840 8.464 1.00 0.00 N ATOM 1316 CA ARG A 86 10.819 -22.018 8.348 1.00 0.00 C ATOM 1317 C ARG A 86 11.883 -21.817 7.271 1.00 0.00 C ATOM 1318 O ARG A 86 13.020 -22.223 7.487 1.00 0.00 O ATOM 1319 CB ARG A 86 9.935 -23.231 7.982 1.00 0.00 C ATOM 1320 CG ARG A 86 9.222 -23.833 9.199 1.00 0.00 C ATOM 1321 CD ARG A 86 8.125 -24.841 8.814 1.00 0.00 C ATOM 1322 NE ARG A 86 6.817 -24.195 8.582 1.00 0.00 N ATOM 1323 CZ ARG A 86 5.830 -24.041 9.480 1.00 0.00 C ATOM 1324 NH1 ARG A 86 5.968 -24.476 10.729 1.00 0.00 N ATOM 1325 NH2 ARG A 86 4.685 -23.458 9.148 1.00 0.00 N ATOM 0 H ARG A 86 8.979 -21.073 8.520 1.00 0.00 H new ATOM 0 HA ARG A 86 11.324 -22.189 9.299 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.192 -22.925 7.246 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.552 -23.997 7.512 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.956 -24.328 9.835 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.779 -23.030 9.788 1.00 0.00 H new ATOM 0 HD2 ARG A 86 8.427 -25.375 7.913 1.00 0.00 H new ATOM 0 HD3 ARG A 86 8.024 -25.583 9.606 1.00 0.00 H new ATOM 0 HE ARG A 86 6.646 -23.829 7.645 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.833 -24.934 11.017 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.209 -24.352 11.399 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.543 -23.118 8.197 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.947 -23.350 9.844 1.00 0.00 H new ATOM 1339 N ARG A 87 11.538 -21.233 6.118 1.00 0.00 N ATOM 1340 CA ARG A 87 12.343 -21.285 4.898 1.00 0.00 C ATOM 1341 C ARG A 87 12.881 -19.921 4.450 1.00 0.00 C ATOM 1342 O ARG A 87 13.707 -19.884 3.538 1.00 0.00 O ATOM 1343 CB ARG A 87 11.496 -21.938 3.788 1.00 0.00 C ATOM 1344 CG ARG A 87 12.353 -22.712 2.777 1.00 0.00 C ATOM 1345 CD ARG A 87 11.628 -22.873 1.434 1.00 0.00 C ATOM 1346 NE ARG A 87 10.487 -23.789 1.486 1.00 0.00 N ATOM 1347 CZ ARG A 87 10.541 -25.112 1.314 1.00 0.00 C ATOM 1348 NH1 ARG A 87 11.694 -25.779 1.378 1.00 0.00 N ATOM 1349 NH2 ARG A 87 9.431 -25.795 1.102 1.00 0.00 N ATOM 0 H ARG A 87 10.674 -20.701 6.007 1.00 0.00 H new ATOM 0 HA ARG A 87 13.231 -21.880 5.109 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.771 -22.615 4.239 1.00 0.00 H new ATOM 0 HB3 ARG A 87 10.930 -21.167 3.265 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.297 -22.189 2.622 1.00 0.00 H new ATOM 0 HG3 ARG A 87 12.596 -23.695 3.181 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.282 -21.895 1.099 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.338 -23.233 0.689 1.00 0.00 H new ATOM 0 HE ARG A 87 9.571 -23.381 1.670 1.00 0.00 H new ATOM 0 HH11 ARG A 87 12.563 -25.278 1.562 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.707 -26.790 1.243 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.533 -25.312 1.070 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.471 -26.806 0.970 1.00 0.00 H new ATOM 1363 N TRP A 88 12.435 -18.813 5.038 1.00 0.00 N ATOM 1364 CA TRP A 88 12.799 -17.453 4.632 1.00 0.00 C ATOM 1365 C TRP A 88 13.134 -16.661 5.885 1.00 0.00 C ATOM 1366 O TRP A 88 12.440 -16.828 6.893 1.00 0.00 O ATOM 1367 CB TRP A 88 11.630 -16.790 3.885 1.00 0.00 C ATOM 1368 CG TRP A 88 11.157 -17.495 2.651 1.00 0.00 C ATOM 1369 CD1 TRP A 88 10.232 -18.479 2.617 1.00 0.00 C ATOM 1370 CD2 TRP A 88 11.502 -17.222 1.258 1.00 0.00 C ATOM 1371 NE1 TRP A 88 9.975 -18.828 1.306 1.00 0.00 N ATOM 1372 CE2 TRP A 88 10.738 -18.096 0.426 1.00 0.00 C ATOM 1373 CE3 TRP A 88 12.374 -16.320 0.613 1.00 0.00 C ATOM 1374 CZ2 TRP A 88 10.849 -18.100 -0.973 1.00 0.00 C ATOM 1375 CZ3 TRP A 88 12.489 -16.312 -0.790 1.00 0.00 C ATOM 1376 CH2 TRP A 88 11.744 -17.206 -1.580 1.00 0.00 C ATOM 0 H TRP A 88 11.794 -18.834 5.831 1.00 0.00 H new ATOM 0 HA TRP A 88 13.658 -17.479 3.961 1.00 0.00 H new ATOM 0 HB2 TRP A 88 10.789 -16.700 4.573 1.00 0.00 H new ATOM 0 HB3 TRP A 88 11.927 -15.778 3.610 1.00 0.00 H new ATOM 0 HD1 TRP A 88 9.765 -18.925 3.483 1.00 0.00 H new ATOM 0 HE1 TRP A 88 9.302 -19.541 1.025 1.00 0.00 H new ATOM 0 HE3 TRP A 88 12.959 -15.629 1.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 10.257 -18.778 -1.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 13.158 -15.610 -1.266 1.00 0.00 H new ATOM 0 HH2 TRP A 88 11.861 -17.204 -2.654 1.00 0.00 H new ATOM 1387 N GLN A 89 14.127 -15.770 5.807 1.00 0.00 N ATOM 1388 CA GLN A 89 14.334 -14.673 6.760 1.00 0.00 C ATOM 1389 C GLN A 89 14.629 -13.404 5.953 1.00 0.00 C ATOM 1390 O GLN A 89 15.559 -13.407 5.139 1.00 0.00 O ATOM 1391 CB GLN A 89 15.475 -14.955 7.750 1.00 0.00 C ATOM 1392 CG GLN A 89 15.166 -16.062 8.770 1.00 0.00 C ATOM 1393 CD GLN A 89 15.487 -17.457 8.240 1.00 0.00 C ATOM 1394 OE1 GLN A 89 16.633 -17.779 7.921 1.00 0.00 O ATOM 1395 NE2 GLN A 89 14.512 -18.332 8.121 1.00 0.00 N ATOM 0 H GLN A 89 14.825 -15.791 5.064 1.00 0.00 H new ATOM 0 HA GLN A 89 13.433 -14.556 7.363 1.00 0.00 H new ATOM 0 HB2 GLN A 89 16.367 -15.233 7.189 1.00 0.00 H new ATOM 0 HB3 GLN A 89 15.710 -14.036 8.288 1.00 0.00 H new ATOM 0 HG2 GLN A 89 15.739 -15.883 9.680 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.112 -16.015 9.043 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.560 -18.074 8.383 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.708 -19.268 7.767 1.00 0.00 H new ATOM 1404 N LEU A 90 13.825 -12.346 6.079 1.00 0.00 N ATOM 1405 CA LEU A 90 14.108 -11.032 5.473 1.00 0.00 C ATOM 1406 C LEU A 90 15.226 -10.335 6.262 1.00 0.00 C ATOM 1407 O LEU A 90 15.548 -10.762 7.372 1.00 0.00 O ATOM 1408 CB LEU A 90 12.822 -10.175 5.447 1.00 0.00 C ATOM 1409 CG LEU A 90 12.116 -10.120 4.083 1.00 0.00 C ATOM 1410 CD1 LEU A 90 11.897 -11.523 3.506 1.00 0.00 C ATOM 1411 CD2 LEU A 90 10.779 -9.386 4.225 1.00 0.00 C ATOM 0 H LEU A 90 12.952 -12.371 6.607 1.00 0.00 H new ATOM 0 HA LEU A 90 14.443 -11.165 4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 90 12.124 -10.568 6.187 1.00 0.00 H new ATOM 0 HB3 LEU A 90 13.072 -9.159 5.753 1.00 0.00 H new ATOM 0 HG LEU A 90 12.756 -9.577 3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.396 -11.445 2.541 1.00 0.00 H new ATOM 0 HD12 LEU A 90 12.860 -12.017 3.376 1.00 0.00 H new ATOM 0 HD13 LEU A 90 11.280 -12.105 4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.280 -9.348 3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 90 10.147 -9.915 4.938 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.957 -8.371 4.581 1.00 0.00 H new ATOM 1423 N SER A 91 15.830 -9.287 5.699 1.00 0.00 N ATOM 1424 CA SER A 91 16.729 -8.337 6.362 1.00 0.00 C ATOM 1425 C SER A 91 16.694 -7.002 5.598 1.00 0.00 C ATOM 1426 O SER A 91 16.035 -6.913 4.560 1.00 0.00 O ATOM 1427 CB SER A 91 18.158 -8.904 6.440 1.00 0.00 C ATOM 1428 OG SER A 91 18.479 -9.266 7.768 1.00 0.00 O ATOM 0 H SER A 91 15.698 -9.065 4.712 1.00 0.00 H new ATOM 0 HA SER A 91 16.396 -8.168 7.386 1.00 0.00 H new ATOM 0 HB2 SER A 91 18.246 -9.774 5.789 1.00 0.00 H new ATOM 0 HB3 SER A 91 18.870 -8.162 6.078 1.00 0.00 H new ATOM 0 HG SER A 91 19.390 -9.626 7.798 1.00 0.00 H new ATOM 1434 N VAL A 92 17.397 -5.970 6.078 1.00 0.00 N ATOM 1435 CA VAL A 92 17.417 -4.620 5.510 1.00 0.00 C ATOM 1436 C VAL A 92 18.865 -4.113 5.389 1.00 0.00 C ATOM 1437 O VAL A 92 19.782 -4.694 5.974 1.00 0.00 O ATOM 1438 CB VAL A 92 16.465 -3.732 6.344 1.00 0.00 C ATOM 1439 CG1 VAL A 92 16.933 -3.529 7.791 1.00 0.00 C ATOM 1440 CG2 VAL A 92 16.177 -2.367 5.709 1.00 0.00 C ATOM 0 H VAL A 92 17.989 -6.057 6.904 1.00 0.00 H new ATOM 0 HA VAL A 92 17.041 -4.598 4.487 1.00 0.00 H new ATOM 0 HB VAL A 92 15.535 -4.301 6.357 1.00 0.00 H new ATOM 0 HG11 VAL A 92 16.219 -2.897 8.319 1.00 0.00 H new ATOM 0 HG12 VAL A 92 17.000 -4.495 8.291 1.00 0.00 H new ATOM 0 HG13 VAL A 92 17.912 -3.050 7.793 1.00 0.00 H new ATOM 0 HG21 VAL A 92 15.502 -1.802 6.352 1.00 0.00 H new ATOM 0 HG22 VAL A 92 17.110 -1.817 5.590 1.00 0.00 H new ATOM 0 HG23 VAL A 92 15.713 -2.510 4.733 1.00 0.00 H new ATOM 1450 N ALA A 93 19.088 -3.056 4.601 1.00 0.00 N ATOM 1451 CA ALA A 93 20.389 -2.415 4.449 1.00 0.00 C ATOM 1452 C ALA A 93 20.785 -1.641 5.704 1.00 0.00 C ATOM 1453 O ALA A 93 19.967 -1.428 6.602 1.00 0.00 O ATOM 1454 CB ALA A 93 20.393 -1.503 3.221 1.00 0.00 C ATOM 0 H ALA A 93 18.354 -2.618 4.044 1.00 0.00 H new ATOM 0 HA ALA A 93 21.133 -3.198 4.303 1.00 0.00 H new ATOM 0 HB1 ALA A 93 21.371 -1.032 3.121 1.00 0.00 H new ATOM 0 HB2 ALA A 93 20.181 -2.093 2.329 1.00 0.00 H new ATOM 0 HB3 ALA A 93 19.630 -0.734 3.337 1.00 0.00 H new