USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=15 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 -107:sc= 1.27 USER MOD Set 1.2: A 32 MET CE :methyl 177:sc= -8.82! (180deg=-9.14!) USER MOD Single : A 23 THR OG1 : rot -68:sc= 1.26 USER MOD Single : A 24 MET CE :methyl -133:sc= -4.16! (180deg=-9.09!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 36 SER OG : rot 180:sc= 0.0107 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= -0.202 X(o=-0.2,f=-0.092) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 155:sc= -0.053 (180deg=-1.75) 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= -0.584 USER MOD Single : A 72 THR OG1 : rot 141:sc= 1.12 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -1.49 K(o=-1.5,f=-0.44) 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= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 46:sc= 0.89 USER MOD ----------------------------------------------------------------- ATOM 270 N GLY A 20 14.013 7.884 1.842 1.00 0.00 N ATOM 271 CA GLY A 20 14.210 7.764 0.419 1.00 0.00 C ATOM 272 C GLY A 20 13.770 6.389 -0.022 1.00 0.00 C ATOM 273 O GLY A 20 12.575 6.092 0.024 1.00 0.00 O ATOM 0 HA2 GLY A 20 13.638 8.529 -0.106 1.00 0.00 H new ATOM 0 HA3 GLY A 20 15.259 7.922 0.169 1.00 0.00 H new ATOM 277 N PHE A 21 14.728 5.555 -0.409 1.00 0.00 N ATOM 278 CA PHE A 21 14.572 4.142 -0.703 1.00 0.00 C ATOM 279 C PHE A 21 15.737 3.439 -0.011 1.00 0.00 C ATOM 280 O PHE A 21 16.807 4.033 0.107 1.00 0.00 O ATOM 281 CB PHE A 21 14.619 3.902 -2.226 1.00 0.00 C ATOM 282 CG PHE A 21 13.306 4.101 -2.972 1.00 0.00 C ATOM 283 CD1 PHE A 21 12.675 5.358 -3.003 1.00 0.00 C ATOM 284 CD2 PHE A 21 12.706 3.017 -3.643 1.00 0.00 C ATOM 285 CE1 PHE A 21 11.410 5.507 -3.597 1.00 0.00 C ATOM 286 CE2 PHE A 21 11.464 3.177 -4.282 1.00 0.00 C ATOM 287 CZ PHE A 21 10.801 4.415 -4.239 1.00 0.00 C ATOM 0 H PHE A 21 15.690 5.869 -0.532 1.00 0.00 H new ATOM 0 HA PHE A 21 13.613 3.762 -0.350 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.364 4.571 -2.657 1.00 0.00 H new ATOM 0 HB3 PHE A 21 14.964 2.883 -2.403 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.166 6.215 -2.567 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.203 2.058 -3.667 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.906 6.461 -3.560 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.018 2.346 -4.808 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.829 4.527 -4.697 1.00 0.00 H new ATOM 297 N VAL A 22 15.534 2.197 0.427 1.00 0.00 N ATOM 298 CA VAL A 22 16.576 1.322 0.961 1.00 0.00 C ATOM 299 C VAL A 22 16.344 -0.051 0.316 1.00 0.00 C ATOM 300 O VAL A 22 15.193 -0.430 0.058 1.00 0.00 O ATOM 301 CB VAL A 22 16.529 1.322 2.514 1.00 0.00 C ATOM 302 CG1 VAL A 22 17.454 0.288 3.166 1.00 0.00 C ATOM 303 CG2 VAL A 22 16.885 2.695 3.111 1.00 0.00 C ATOM 0 H VAL A 22 14.613 1.759 0.420 1.00 0.00 H new ATOM 0 HA VAL A 22 17.585 1.656 0.720 1.00 0.00 H new ATOM 0 HB VAL A 22 15.494 1.062 2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 22 17.363 0.351 4.250 1.00 0.00 H new ATOM 0 HG12 VAL A 22 17.172 -0.712 2.836 1.00 0.00 H new ATOM 0 HG13 VAL A 22 18.485 0.488 2.876 1.00 0.00 H new ATOM 0 HG21 VAL A 22 16.838 2.642 4.199 1.00 0.00 H new ATOM 0 HG22 VAL A 22 17.893 2.975 2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 22 16.177 3.442 2.753 1.00 0.00 H new ATOM 313 N THR A 23 17.415 -0.786 0.007 1.00 0.00 N ATOM 314 CA THR A 23 17.310 -2.153 -0.488 1.00 0.00 C ATOM 315 C THR A 23 16.944 -3.094 0.674 1.00 0.00 C ATOM 316 O THR A 23 17.303 -2.853 1.830 1.00 0.00 O ATOM 317 CB THR A 23 18.619 -2.558 -1.196 1.00 0.00 C ATOM 318 OG1 THR A 23 19.006 -1.586 -2.147 1.00 0.00 O ATOM 319 CG2 THR A 23 18.480 -3.865 -1.977 1.00 0.00 C ATOM 0 H THR A 23 18.374 -0.449 0.094 1.00 0.00 H new ATOM 0 HA THR A 23 16.514 -2.228 -1.229 1.00 0.00 H new ATOM 0 HB THR A 23 19.353 -2.663 -0.397 1.00 0.00 H new ATOM 0 HG1 THR A 23 18.367 -1.583 -2.890 1.00 0.00 H new ATOM 0 HG21 THR A 23 19.429 -4.105 -2.456 1.00 0.00 H new ATOM 0 HG22 THR A 23 18.204 -4.669 -1.295 1.00 0.00 H new ATOM 0 HG23 THR A 23 17.707 -3.754 -2.738 1.00 0.00 H new ATOM 327 N MET A 24 16.269 -4.210 0.396 1.00 0.00 N ATOM 328 CA MET A 24 16.076 -5.276 1.360 1.00 0.00 C ATOM 329 C MET A 24 16.628 -6.595 0.857 1.00 0.00 C ATOM 330 O MET A 24 17.001 -6.719 -0.309 1.00 0.00 O ATOM 331 CB MET A 24 14.620 -5.468 1.741 1.00 0.00 C ATOM 332 CG MET A 24 13.710 -4.258 1.776 1.00 0.00 C ATOM 333 SD MET A 24 11.988 -4.748 2.098 1.00 0.00 S ATOM 334 CE MET A 24 12.066 -5.795 3.581 1.00 0.00 C ATOM 0 H MET A 24 15.841 -4.394 -0.512 1.00 0.00 H new ATOM 0 HA MET A 24 16.627 -4.964 2.248 1.00 0.00 H new ATOM 0 HB2 MET A 24 14.188 -6.186 1.044 1.00 0.00 H new ATOM 0 HB3 MET A 24 14.595 -5.929 2.729 1.00 0.00 H new ATOM 0 HG2 MET A 24 14.046 -3.568 2.550 1.00 0.00 H new ATOM 0 HG3 MET A 24 13.769 -3.726 0.826 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.479 -6.699 3.420 1.00 0.00 H new ATOM 0 HE2 MET A 24 13.103 -6.067 3.780 1.00 0.00 H new ATOM 0 HE3 MET A 24 11.664 -5.248 4.434 1.00 0.00 H new ATOM 344 N ILE A 25 16.673 -7.576 1.752 1.00 0.00 N ATOM 345 CA ILE A 25 17.439 -8.799 1.612 1.00 0.00 C ATOM 346 C ILE A 25 16.506 -9.967 1.933 1.00 0.00 C ATOM 347 O ILE A 25 15.832 -9.953 2.967 1.00 0.00 O ATOM 348 CB ILE A 25 18.637 -8.767 2.591 1.00 0.00 C ATOM 349 CG1 ILE A 25 19.437 -7.442 2.662 1.00 0.00 C ATOM 350 CG2 ILE A 25 19.588 -9.939 2.306 1.00 0.00 C ATOM 351 CD1 ILE A 25 19.991 -6.890 1.339 1.00 0.00 C ATOM 0 H ILE A 25 16.154 -7.534 2.629 1.00 0.00 H new ATOM 0 HA ILE A 25 17.831 -8.907 0.601 1.00 0.00 H new ATOM 0 HB ILE A 25 18.177 -8.858 3.575 1.00 0.00 H new ATOM 0 HG12 ILE A 25 18.794 -6.681 3.104 1.00 0.00 H new ATOM 0 HG13 ILE A 25 20.274 -7.588 3.345 1.00 0.00 H new ATOM 0 HG21 ILE A 25 20.426 -9.905 3.002 1.00 0.00 H new ATOM 0 HG22 ILE A 25 19.052 -10.880 2.429 1.00 0.00 H new ATOM 0 HG23 ILE A 25 19.961 -9.865 1.284 1.00 0.00 H new ATOM 0 HD11 ILE A 25 20.529 -5.961 1.529 1.00 0.00 H new ATOM 0 HD12 ILE A 25 20.670 -7.619 0.897 1.00 0.00 H new ATOM 0 HD13 ILE A 25 19.167 -6.698 0.651 1.00 0.00 H new ATOM 363 N LEU A 26 16.474 -10.979 1.070 1.00 0.00 N ATOM 364 CA LEU A 26 15.720 -12.219 1.291 1.00 0.00 C ATOM 365 C LEU A 26 16.703 -13.381 1.417 1.00 0.00 C ATOM 366 O LEU A 26 17.568 -13.543 0.550 1.00 0.00 O ATOM 367 CB LEU A 26 14.755 -12.441 0.112 1.00 0.00 C ATOM 368 CG LEU A 26 13.260 -12.415 0.467 1.00 0.00 C ATOM 369 CD1 LEU A 26 12.881 -13.589 1.351 1.00 0.00 C ATOM 370 CD2 LEU A 26 12.848 -11.039 1.022 1.00 0.00 C ATOM 0 H LEU A 26 16.977 -10.965 0.183 1.00 0.00 H new ATOM 0 HA LEU A 26 15.136 -12.153 2.209 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.945 -11.675 -0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.985 -13.403 -0.347 1.00 0.00 H new ATOM 0 HG LEU A 26 12.677 -12.547 -0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.817 -13.541 1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.096 -14.522 0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.457 -13.549 2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.785 -11.048 1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.424 -10.822 1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.042 -10.271 0.273 1.00 0.00 H new ATOM 382 N GLN A 27 16.554 -14.206 2.457 1.00 0.00 N ATOM 383 CA GLN A 27 17.301 -15.448 2.650 1.00 0.00 C ATOM 384 C GLN A 27 16.340 -16.614 2.489 1.00 0.00 C ATOM 385 O GLN A 27 15.304 -16.652 3.155 1.00 0.00 O ATOM 386 CB GLN A 27 17.936 -15.508 4.043 1.00 0.00 C ATOM 387 CG GLN A 27 19.044 -14.464 4.230 1.00 0.00 C ATOM 388 CD GLN A 27 20.331 -15.076 4.785 1.00 0.00 C ATOM 389 OE1 GLN A 27 20.326 -15.830 5.756 1.00 0.00 O ATOM 390 NE2 GLN A 27 21.465 -14.802 4.169 1.00 0.00 N ATOM 0 H GLN A 27 15.890 -14.021 3.209 1.00 0.00 H new ATOM 0 HA GLN A 27 18.102 -15.495 1.912 1.00 0.00 H new ATOM 0 HB2 GLN A 27 17.164 -15.353 4.797 1.00 0.00 H new ATOM 0 HB3 GLN A 27 18.348 -16.504 4.208 1.00 0.00 H new ATOM 0 HG2 GLN A 27 19.255 -13.986 3.273 1.00 0.00 H new ATOM 0 HG3 GLN A 27 18.694 -13.684 4.906 1.00 0.00 H new ATOM 0 HE21 GLN A 27 21.470 -14.176 3.363 1.00 0.00 H new ATOM 0 HE22 GLN A 27 22.337 -15.216 4.498 1.00 0.00 H new ATOM 399 N CYS A 28 16.689 -17.557 1.615 1.00 0.00 N ATOM 400 CA CYS A 28 15.804 -18.619 1.164 1.00 0.00 C ATOM 401 C CYS A 28 16.588 -19.930 1.286 1.00 0.00 C ATOM 402 O CYS A 28 17.704 -20.031 0.770 1.00 0.00 O ATOM 403 CB CYS A 28 15.365 -18.339 -0.291 1.00 0.00 C ATOM 404 SG CYS A 28 15.239 -16.558 -0.682 1.00 0.00 S ATOM 0 H CYS A 28 17.617 -17.601 1.194 1.00 0.00 H new ATOM 0 HA CYS A 28 14.896 -18.680 1.763 1.00 0.00 H new ATOM 0 HB2 CYS A 28 16.077 -18.804 -0.973 1.00 0.00 H new ATOM 0 HB3 CYS A 28 14.399 -18.811 -0.468 1.00 0.00 H new ATOM 0 HG CYS A 28 13.987 -16.223 -0.782 1.00 0.00 H new ATOM 410 N SER A 29 16.067 -20.949 1.972 1.00 0.00 N ATOM 411 CA SER A 29 16.840 -22.175 2.210 1.00 0.00 C ATOM 412 C SER A 29 16.937 -23.111 0.973 1.00 0.00 C ATOM 413 O SER A 29 17.234 -24.296 1.141 1.00 0.00 O ATOM 414 CB SER A 29 16.313 -22.907 3.452 1.00 0.00 C ATOM 415 OG SER A 29 15.759 -22.045 4.435 1.00 0.00 O ATOM 0 H SER A 29 15.127 -20.954 2.368 1.00 0.00 H new ATOM 0 HA SER A 29 17.867 -21.864 2.399 1.00 0.00 H new ATOM 0 HB2 SER A 29 15.554 -23.626 3.143 1.00 0.00 H new ATOM 0 HB3 SER A 29 17.128 -23.476 3.899 1.00 0.00 H new ATOM 0 HG SER A 29 15.442 -22.576 5.195 1.00 0.00 H new ATOM 421 N ILE A 30 16.642 -22.623 -0.240 1.00 0.00 N ATOM 422 CA ILE A 30 16.411 -23.387 -1.474 1.00 0.00 C ATOM 423 C ILE A 30 16.899 -22.595 -2.696 1.00 0.00 C ATOM 424 O ILE A 30 17.008 -21.370 -2.628 1.00 0.00 O ATOM 425 CB ILE A 30 14.900 -23.705 -1.632 1.00 0.00 C ATOM 426 CG1 ILE A 30 13.997 -22.493 -1.279 1.00 0.00 C ATOM 427 CG2 ILE A 30 14.551 -24.944 -0.796 1.00 0.00 C ATOM 428 CD1 ILE A 30 12.529 -22.624 -1.701 1.00 0.00 C ATOM 0 H ILE A 30 16.553 -21.619 -0.395 1.00 0.00 H new ATOM 0 HA ILE A 30 16.971 -24.320 -1.409 1.00 0.00 H new ATOM 0 HB ILE A 30 14.703 -23.920 -2.682 1.00 0.00 H new ATOM 0 HG12 ILE A 30 14.035 -22.334 -0.201 1.00 0.00 H new ATOM 0 HG13 ILE A 30 14.414 -21.602 -1.747 1.00 0.00 H new ATOM 0 HG21 ILE A 30 13.490 -25.170 -0.905 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.140 -25.794 -1.141 1.00 0.00 H new ATOM 0 HG23 ILE A 30 14.775 -24.750 0.253 1.00 0.00 H new ATOM 0 HD11 ILE A 30 11.985 -21.726 -1.409 1.00 0.00 H new ATOM 0 HD12 ILE A 30 12.471 -22.748 -2.782 1.00 0.00 H new ATOM 0 HD13 ILE A 30 12.086 -23.492 -1.212 1.00 0.00 H new ATOM 440 N GLU A 31 17.156 -23.284 -3.815 1.00 0.00 N ATOM 441 CA GLU A 31 17.461 -22.674 -5.101 1.00 0.00 C ATOM 442 C GLU A 31 16.223 -21.970 -5.620 1.00 0.00 C ATOM 443 O GLU A 31 15.144 -22.568 -5.649 1.00 0.00 O ATOM 444 CB GLU A 31 17.928 -23.732 -6.115 1.00 0.00 C ATOM 445 CG GLU A 31 18.802 -23.108 -7.212 1.00 0.00 C ATOM 446 CD GLU A 31 19.248 -24.083 -8.319 1.00 0.00 C ATOM 447 OE1 GLU A 31 18.979 -25.304 -8.243 1.00 0.00 O ATOM 448 OE2 GLU A 31 19.922 -23.611 -9.260 1.00 0.00 O ATOM 0 H GLU A 31 17.156 -24.304 -3.845 1.00 0.00 H new ATOM 0 HA GLU A 31 18.270 -21.955 -4.969 1.00 0.00 H new ATOM 0 HB2 GLU A 31 18.490 -24.510 -5.599 1.00 0.00 H new ATOM 0 HB3 GLU A 31 17.061 -24.212 -6.568 1.00 0.00 H new ATOM 0 HG2 GLU A 31 18.252 -22.287 -7.671 1.00 0.00 H new ATOM 0 HG3 GLU A 31 19.689 -22.677 -6.748 1.00 0.00 H new ATOM 455 N MET A 32 16.384 -20.726 -6.065 1.00 0.00 N ATOM 456 CA MET A 32 15.335 -19.997 -6.755 1.00 0.00 C ATOM 457 C MET A 32 15.660 -19.917 -8.257 1.00 0.00 C ATOM 458 O MET A 32 16.181 -18.899 -8.706 1.00 0.00 O ATOM 459 CB MET A 32 15.173 -18.603 -6.141 1.00 0.00 C ATOM 460 CG MET A 32 14.677 -18.603 -4.690 1.00 0.00 C ATOM 461 SD MET A 32 14.019 -17.000 -4.184 1.00 0.00 S ATOM 462 CE MET A 32 15.481 -15.940 -4.263 1.00 0.00 C ATOM 0 H MET A 32 17.250 -20.198 -5.954 1.00 0.00 H new ATOM 0 HA MET A 32 14.387 -20.523 -6.641 1.00 0.00 H new ATOM 0 HB2 MET A 32 16.132 -18.087 -6.184 1.00 0.00 H new ATOM 0 HB3 MET A 32 14.475 -18.030 -6.751 1.00 0.00 H new ATOM 0 HG2 MET A 32 13.904 -19.362 -4.574 1.00 0.00 H new ATOM 0 HG3 MET A 32 15.498 -18.880 -4.029 1.00 0.00 H new ATOM 0 HE1 MET A 32 15.200 -14.914 -4.026 1.00 0.00 H new ATOM 0 HE2 MET A 32 16.222 -16.288 -3.544 1.00 0.00 H new ATOM 0 HE3 MET A 32 15.904 -15.978 -5.267 1.00 0.00 H new ATOM 472 N PRO A 33 15.326 -20.930 -9.077 1.00 0.00 N ATOM 473 CA PRO A 33 15.583 -20.909 -10.519 1.00 0.00 C ATOM 474 C PRO A 33 14.757 -19.857 -11.259 1.00 0.00 C ATOM 475 O PRO A 33 15.063 -19.547 -12.409 1.00 0.00 O ATOM 476 CB PRO A 33 15.197 -22.303 -11.014 1.00 0.00 C ATOM 477 CG PRO A 33 14.169 -22.754 -9.992 1.00 0.00 C ATOM 478 CD PRO A 33 14.719 -22.188 -8.696 1.00 0.00 C ATOM 0 HA PRO A 33 16.625 -20.653 -10.709 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.780 -22.273 -12.020 1.00 0.00 H new ATOM 0 HB3 PRO A 33 16.056 -22.973 -11.045 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.176 -22.363 -10.216 1.00 0.00 H new ATOM 0 HG3 PRO A 33 14.083 -23.840 -9.956 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.928 -22.040 -7.961 1.00 0.00 H new ATOM 0 HD3 PRO A 33 15.450 -22.861 -8.248 1.00 0.00 H new ATOM 486 N ASN A 34 13.697 -19.329 -10.648 1.00 0.00 N ATOM 487 CA ASN A 34 12.878 -18.276 -11.228 1.00 0.00 C ATOM 488 C ASN A 34 12.491 -17.331 -10.114 1.00 0.00 C ATOM 489 O ASN A 34 11.960 -17.746 -9.086 1.00 0.00 O ATOM 490 CB ASN A 34 11.640 -18.803 -11.971 1.00 0.00 C ATOM 491 CG ASN A 34 11.045 -20.093 -11.419 1.00 0.00 C ATOM 492 OD1 ASN A 34 11.385 -21.196 -11.836 1.00 0.00 O ATOM 493 ND2 ASN A 34 10.160 -19.995 -10.452 1.00 0.00 N ATOM 0 H ASN A 34 13.383 -19.627 -9.725 1.00 0.00 H new ATOM 0 HA ASN A 34 13.461 -17.760 -11.991 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.871 -18.031 -11.953 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.906 -18.964 -13.016 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.753 -20.838 -10.046 1.00 0.00 H new ATOM 0 HD22 ASN A 34 9.880 -19.076 -10.108 1.00 0.00 H new ATOM 500 N ILE A 35 12.756 -16.051 -10.346 1.00 0.00 N ATOM 501 CA ILE A 35 12.623 -14.959 -9.381 1.00 0.00 C ATOM 502 C ILE A 35 11.242 -14.913 -8.707 1.00 0.00 C ATOM 503 O ILE A 35 11.114 -14.514 -7.551 1.00 0.00 O ATOM 504 CB ILE A 35 13.002 -13.644 -10.097 1.00 0.00 C ATOM 505 CG1 ILE A 35 13.122 -12.498 -9.080 1.00 0.00 C ATOM 506 CG2 ILE A 35 12.059 -13.287 -11.265 1.00 0.00 C ATOM 507 CD1 ILE A 35 13.672 -11.222 -9.717 1.00 0.00 C ATOM 0 H ILE A 35 13.086 -15.728 -11.255 1.00 0.00 H new ATOM 0 HA ILE A 35 13.307 -15.123 -8.548 1.00 0.00 H new ATOM 0 HB ILE A 35 13.977 -13.801 -10.558 1.00 0.00 H new ATOM 0 HG12 ILE A 35 12.143 -12.294 -8.647 1.00 0.00 H new ATOM 0 HG13 ILE A 35 13.774 -12.805 -8.263 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.384 -12.352 -11.722 1.00 0.00 H new ATOM 0 HG22 ILE A 35 12.084 -14.083 -12.009 1.00 0.00 H new ATOM 0 HG23 ILE A 35 11.042 -13.173 -10.890 1.00 0.00 H new ATOM 0 HD11 ILE A 35 13.740 -10.439 -8.962 1.00 0.00 H new ATOM 0 HD12 ILE A 35 14.663 -11.418 -10.127 1.00 0.00 H new ATOM 0 HD13 ILE A 35 13.006 -10.898 -10.517 1.00 0.00 H new ATOM 519 N SER A 36 10.200 -15.376 -9.399 1.00 0.00 N ATOM 520 CA SER A 36 8.837 -15.449 -8.891 1.00 0.00 C ATOM 521 C SER A 36 8.679 -16.337 -7.644 1.00 0.00 C ATOM 522 O SER A 36 7.647 -16.243 -6.989 1.00 0.00 O ATOM 523 CB SER A 36 7.918 -15.848 -10.046 1.00 0.00 C ATOM 524 OG SER A 36 8.264 -15.065 -11.184 1.00 0.00 O ATOM 0 H SER A 36 10.288 -15.719 -10.355 1.00 0.00 H new ATOM 0 HA SER A 36 8.547 -14.465 -8.524 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.027 -16.910 -10.268 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.875 -15.684 -9.775 1.00 0.00 H new ATOM 0 HG SER A 36 7.686 -15.308 -11.937 1.00 0.00 H new ATOM 530 N TYR A 37 9.694 -17.125 -7.261 1.00 0.00 N ATOM 531 CA TYR A 37 9.755 -17.783 -5.960 1.00 0.00 C ATOM 532 C TYR A 37 9.588 -16.778 -4.817 1.00 0.00 C ATOM 533 O TYR A 37 8.692 -16.940 -3.996 1.00 0.00 O ATOM 534 CB TYR A 37 11.077 -18.558 -5.815 1.00 0.00 C ATOM 535 CG TYR A 37 10.930 -20.036 -6.103 1.00 0.00 C ATOM 536 CD1 TYR A 37 10.295 -20.847 -5.149 1.00 0.00 C ATOM 537 CD2 TYR A 37 11.388 -20.594 -7.311 1.00 0.00 C ATOM 538 CE1 TYR A 37 10.119 -22.219 -5.398 1.00 0.00 C ATOM 539 CE2 TYR A 37 11.211 -21.966 -7.576 1.00 0.00 C ATOM 540 CZ TYR A 37 10.572 -22.787 -6.613 1.00 0.00 C ATOM 541 OH TYR A 37 10.321 -24.100 -6.865 1.00 0.00 O ATOM 0 H TYR A 37 10.500 -17.321 -7.855 1.00 0.00 H new ATOM 0 HA TYR A 37 8.927 -18.489 -5.900 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.817 -18.133 -6.493 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.460 -18.427 -4.803 1.00 0.00 H new ATOM 0 HD1 TYR A 37 9.942 -20.417 -4.224 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.879 -19.966 -8.040 1.00 0.00 H new ATOM 0 HE1 TYR A 37 9.636 -22.842 -4.660 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.560 -22.390 -8.506 1.00 0.00 H new ATOM 0 HH TYR A 37 10.693 -24.342 -7.739 1.00 0.00 H new ATOM 551 N ALA A 38 10.440 -15.749 -4.753 1.00 0.00 N ATOM 552 CA ALA A 38 10.411 -14.789 -3.650 1.00 0.00 C ATOM 553 C ALA A 38 9.143 -13.949 -3.702 1.00 0.00 C ATOM 554 O ALA A 38 8.589 -13.625 -2.654 1.00 0.00 O ATOM 555 CB ALA A 38 11.638 -13.886 -3.697 1.00 0.00 C ATOM 0 H ALA A 38 11.157 -15.562 -5.453 1.00 0.00 H new ATOM 0 HA ALA A 38 10.421 -15.347 -2.714 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.600 -13.178 -2.869 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.540 -14.493 -3.615 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.653 -13.341 -4.641 1.00 0.00 H new ATOM 561 N TRP A 39 8.686 -13.609 -4.913 1.00 0.00 N ATOM 562 CA TRP A 39 7.436 -12.897 -5.095 1.00 0.00 C ATOM 563 C TRP A 39 6.276 -13.713 -4.527 1.00 0.00 C ATOM 564 O TRP A 39 5.452 -13.123 -3.847 1.00 0.00 O ATOM 565 CB TRP A 39 7.227 -12.542 -6.569 1.00 0.00 C ATOM 566 CG TRP A 39 8.129 -11.473 -7.112 1.00 0.00 C ATOM 567 CD1 TRP A 39 9.092 -11.626 -8.051 1.00 0.00 C ATOM 568 CD2 TRP A 39 8.152 -10.059 -6.753 1.00 0.00 C ATOM 569 NE1 TRP A 39 9.672 -10.406 -8.333 1.00 0.00 N ATOM 570 CE2 TRP A 39 9.145 -9.412 -7.545 1.00 0.00 C ATOM 571 CE3 TRP A 39 7.441 -9.260 -5.832 1.00 0.00 C ATOM 572 CZ2 TRP A 39 9.418 -8.045 -7.440 1.00 0.00 C ATOM 573 CZ3 TRP A 39 7.716 -7.885 -5.706 1.00 0.00 C ATOM 574 CH2 TRP A 39 8.701 -7.285 -6.510 1.00 0.00 C ATOM 0 H TRP A 39 9.175 -13.822 -5.782 1.00 0.00 H new ATOM 0 HA TRP A 39 7.476 -11.958 -4.543 1.00 0.00 H new ATOM 0 HB2 TRP A 39 7.363 -13.445 -7.165 1.00 0.00 H new ATOM 0 HB3 TRP A 39 6.193 -12.224 -6.705 1.00 0.00 H new ATOM 0 HD1 TRP A 39 9.366 -12.564 -8.511 1.00 0.00 H new ATOM 0 HE1 TRP A 39 10.398 -10.261 -9.035 1.00 0.00 H new ATOM 0 HE3 TRP A 39 6.676 -9.709 -5.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 10.168 -7.584 -8.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 7.169 -7.290 -4.990 1.00 0.00 H new ATOM 0 HH2 TRP A 39 8.906 -6.229 -6.409 1.00 0.00 H new ATOM 585 N LYS A 40 6.219 -15.032 -4.743 1.00 0.00 N ATOM 586 CA LYS A 40 5.194 -15.913 -4.168 1.00 0.00 C ATOM 587 C LYS A 40 5.089 -15.736 -2.656 1.00 0.00 C ATOM 588 O LYS A 40 3.984 -15.572 -2.139 1.00 0.00 O ATOM 589 CB LYS A 40 5.502 -17.382 -4.499 1.00 0.00 C ATOM 590 CG LYS A 40 4.490 -18.004 -5.466 1.00 0.00 C ATOM 591 CD LYS A 40 5.054 -19.305 -6.057 1.00 0.00 C ATOM 592 CE LYS A 40 5.310 -20.393 -4.998 1.00 0.00 C ATOM 593 NZ LYS A 40 4.073 -20.988 -4.454 1.00 0.00 N ATOM 0 H LYS A 40 6.892 -15.525 -5.330 1.00 0.00 H new ATOM 0 HA LYS A 40 4.237 -15.636 -4.611 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.499 -17.449 -4.933 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.517 -17.961 -3.576 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.555 -18.208 -4.944 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.261 -17.301 -6.267 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.358 -19.689 -6.802 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.987 -19.086 -6.576 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.920 -21.182 -5.439 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.888 -19.963 -4.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.317 -21.711 -3.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.499 -20.246 -4.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.530 -21.426 -5.225 1.00 0.00 H new ATOM 607 N GLU A 41 6.214 -15.828 -1.950 1.00 0.00 N ATOM 608 CA GLU A 41 6.225 -15.778 -0.496 1.00 0.00 C ATOM 609 C GLU A 41 5.849 -14.370 -0.028 1.00 0.00 C ATOM 610 O GLU A 41 4.965 -14.206 0.813 1.00 0.00 O ATOM 611 CB GLU A 41 7.608 -16.190 0.035 1.00 0.00 C ATOM 612 CG GLU A 41 7.513 -17.169 1.214 1.00 0.00 C ATOM 613 CD GLU A 41 7.115 -18.614 0.846 1.00 0.00 C ATOM 614 OE1 GLU A 41 7.321 -19.100 -0.297 1.00 0.00 O ATOM 615 OE2 GLU A 41 6.545 -19.296 1.730 1.00 0.00 O ATOM 0 H GLU A 41 7.137 -15.939 -2.370 1.00 0.00 H new ATOM 0 HA GLU A 41 5.491 -16.480 -0.100 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.182 -16.649 -0.770 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.154 -15.300 0.348 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.477 -17.194 1.722 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.787 -16.781 1.928 1.00 0.00 H new ATOM 622 N LEU A 42 6.496 -13.347 -0.604 1.00 0.00 N ATOM 623 CA LEU A 42 6.219 -11.949 -0.282 1.00 0.00 C ATOM 624 C LEU A 42 4.749 -11.607 -0.504 1.00 0.00 C ATOM 625 O LEU A 42 4.160 -10.911 0.320 1.00 0.00 O ATOM 626 CB LEU A 42 7.140 -11.014 -1.087 1.00 0.00 C ATOM 627 CG LEU A 42 8.557 -10.937 -0.484 1.00 0.00 C ATOM 628 CD1 LEU A 42 9.566 -10.433 -1.519 1.00 0.00 C ATOM 629 CD2 LEU A 42 8.594 -9.989 0.721 1.00 0.00 C ATOM 0 H LEU A 42 7.226 -13.471 -1.306 1.00 0.00 H new ATOM 0 HA LEU A 42 6.429 -11.800 0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.203 -11.366 -2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.705 -10.015 -1.118 1.00 0.00 H new ATOM 0 HG LEU A 42 8.822 -11.946 -0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.558 -10.388 -1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.585 -11.114 -2.370 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.275 -9.438 -1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.605 -9.954 1.126 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.295 -8.989 0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.908 -10.349 1.488 1.00 0.00 H new ATOM 641 N LYS A 43 4.151 -12.102 -1.589 1.00 0.00 N ATOM 642 CA LYS A 43 2.744 -11.926 -1.909 1.00 0.00 C ATOM 643 C LYS A 43 1.852 -12.570 -0.848 1.00 0.00 C ATOM 644 O LYS A 43 0.792 -12.015 -0.576 1.00 0.00 O ATOM 645 CB LYS A 43 2.439 -12.519 -3.299 1.00 0.00 C ATOM 646 CG LYS A 43 2.794 -11.587 -4.479 1.00 0.00 C ATOM 647 CD LYS A 43 2.597 -12.305 -5.825 1.00 0.00 C ATOM 648 CE LYS A 43 2.688 -11.321 -7.002 1.00 0.00 C ATOM 649 NZ LYS A 43 2.337 -11.904 -8.313 1.00 0.00 N ATOM 0 H LYS A 43 4.652 -12.652 -2.287 1.00 0.00 H new ATOM 0 HA LYS A 43 2.529 -10.858 -1.924 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.989 -13.454 -3.411 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.378 -12.765 -3.352 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.169 -10.695 -4.443 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.828 -11.255 -4.387 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.353 -13.082 -5.939 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.626 -12.800 -5.837 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.028 -10.476 -6.805 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.703 -10.927 -7.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.424 -11.176 -9.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.981 -12.692 -8.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.358 -12.255 -8.286 1.00 0.00 H new ATOM 663 N GLU A 44 2.228 -13.700 -0.243 1.00 0.00 N ATOM 664 CA GLU A 44 1.359 -14.321 0.757 1.00 0.00 C ATOM 665 C GLU A 44 1.330 -13.480 2.038 1.00 0.00 C ATOM 666 O GLU A 44 0.263 -13.275 2.621 1.00 0.00 O ATOM 667 CB GLU A 44 1.763 -15.785 1.028 1.00 0.00 C ATOM 668 CG GLU A 44 0.507 -16.615 1.383 1.00 0.00 C ATOM 669 CD GLU A 44 0.725 -18.117 1.611 1.00 0.00 C ATOM 670 OE1 GLU A 44 1.483 -18.740 0.831 1.00 0.00 O ATOM 671 OE2 GLU A 44 0.093 -18.709 2.522 1.00 0.00 O ATOM 0 H GLU A 44 3.104 -14.192 -0.422 1.00 0.00 H new ATOM 0 HA GLU A 44 0.345 -14.350 0.359 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.253 -16.206 0.150 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.483 -15.828 1.846 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.062 -16.193 2.284 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.221 -16.493 0.581 1.00 0.00 H new ATOM 678 N GLN A 45 2.495 -12.978 2.466 1.00 0.00 N ATOM 679 CA GLN A 45 2.645 -12.265 3.733 1.00 0.00 C ATOM 680 C GLN A 45 2.187 -10.805 3.641 1.00 0.00 C ATOM 681 O GLN A 45 1.466 -10.334 4.522 1.00 0.00 O ATOM 682 CB GLN A 45 4.109 -12.338 4.207 1.00 0.00 C ATOM 683 CG GLN A 45 4.542 -13.745 4.670 1.00 0.00 C ATOM 684 CD GLN A 45 3.721 -14.332 5.822 1.00 0.00 C ATOM 685 OE1 GLN A 45 3.481 -15.542 5.869 1.00 0.00 O ATOM 686 NE2 GLN A 45 3.270 -13.516 6.772 1.00 0.00 N ATOM 0 H GLN A 45 3.363 -13.058 1.937 1.00 0.00 H new ATOM 0 HA GLN A 45 1.999 -12.756 4.461 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.761 -12.016 3.395 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.251 -11.635 5.028 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.483 -14.424 3.820 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.588 -13.705 4.974 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.473 -12.518 6.725 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.721 -13.889 7.547 1.00 0.00 H new ATOM 695 N LEU A 46 2.644 -10.081 2.616 1.00 0.00 N ATOM 696 CA LEU A 46 2.379 -8.654 2.432 1.00 0.00 C ATOM 697 C LEU A 46 1.087 -8.427 1.640 1.00 0.00 C ATOM 698 O LEU A 46 0.567 -7.309 1.643 1.00 0.00 O ATOM 699 CB LEU A 46 3.565 -7.982 1.712 1.00 0.00 C ATOM 700 CG LEU A 46 4.924 -8.098 2.437 1.00 0.00 C ATOM 701 CD1 LEU A 46 6.028 -7.572 1.517 1.00 0.00 C ATOM 702 CD2 LEU A 46 4.930 -7.365 3.774 1.00 0.00 C ATOM 0 H LEU A 46 3.221 -10.480 1.876 1.00 0.00 H new ATOM 0 HA LEU A 46 2.256 -8.205 3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.662 -8.420 0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.334 -6.926 1.573 1.00 0.00 H new ATOM 0 HG LEU A 46 5.104 -9.149 2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.991 -7.651 2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.050 -8.162 0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.831 -6.528 1.272 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.907 -7.476 4.245 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.724 -6.307 3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.164 -7.787 4.424 1.00 0.00 H new ATOM 714 N GLY A 47 0.529 -9.456 1.003 1.00 0.00 N ATOM 715 CA GLY A 47 -0.658 -9.369 0.166 1.00 0.00 C ATOM 716 C GLY A 47 -0.252 -9.307 -1.304 1.00 0.00 C ATOM 717 O GLY A 47 0.789 -8.730 -1.637 1.00 0.00 O ATOM 0 H GLY A 47 0.906 -10.402 1.060 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.300 -10.233 0.339 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.236 -8.484 0.430 1.00 0.00 H new ATOM 721 N GLU A 48 -1.060 -9.892 -2.196 1.00 0.00 N ATOM 722 CA GLU A 48 -0.637 -10.264 -3.543 1.00 0.00 C ATOM 723 C GLU A 48 -0.261 -9.051 -4.404 1.00 0.00 C ATOM 724 O GLU A 48 0.567 -9.152 -5.310 1.00 0.00 O ATOM 725 CB GLU A 48 -1.725 -11.129 -4.220 1.00 0.00 C ATOM 726 CG GLU A 48 -1.304 -12.602 -4.314 1.00 0.00 C ATOM 727 CD GLU A 48 -2.190 -13.493 -5.197 1.00 0.00 C ATOM 728 OE1 GLU A 48 -3.392 -13.694 -4.898 1.00 0.00 O ATOM 729 OE2 GLU A 48 -1.606 -14.129 -6.111 1.00 0.00 O ATOM 0 H GLU A 48 -2.034 -10.121 -1.997 1.00 0.00 H new ATOM 0 HA GLU A 48 0.274 -10.855 -3.450 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.654 -11.052 -3.656 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.926 -10.744 -5.220 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.283 -12.645 -4.694 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.287 -13.021 -3.308 1.00 0.00 H new ATOM 736 N GLU A 49 -0.801 -7.880 -4.086 1.00 0.00 N ATOM 737 CA GLU A 49 -0.609 -6.659 -4.857 1.00 0.00 C ATOM 738 C GLU A 49 0.750 -5.981 -4.607 1.00 0.00 C ATOM 739 O GLU A 49 0.945 -4.817 -4.964 1.00 0.00 O ATOM 740 CB GLU A 49 -1.790 -5.707 -4.553 1.00 0.00 C ATOM 741 CG GLU A 49 -3.102 -6.076 -5.266 1.00 0.00 C ATOM 742 CD GLU A 49 -3.099 -5.772 -6.770 1.00 0.00 C ATOM 743 OE1 GLU A 49 -2.614 -4.695 -7.182 1.00 0.00 O ATOM 744 OE2 GLU A 49 -3.643 -6.581 -7.560 1.00 0.00 O ATOM 0 H GLU A 49 -1.397 -7.751 -3.268 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.594 -6.918 -5.916 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.965 -5.697 -3.477 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.507 -4.694 -4.839 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.297 -7.139 -5.120 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.924 -5.534 -4.797 1.00 0.00 H new ATOM 751 N ILE A 50 1.707 -6.668 -3.979 1.00 0.00 N ATOM 752 CA ILE A 50 2.955 -6.059 -3.540 1.00 0.00 C ATOM 753 C ILE A 50 3.863 -5.569 -4.692 1.00 0.00 C ATOM 754 O ILE A 50 4.604 -4.609 -4.482 1.00 0.00 O ATOM 755 CB ILE A 50 3.616 -6.964 -2.474 1.00 0.00 C ATOM 756 CG1 ILE A 50 4.823 -6.296 -1.805 1.00 0.00 C ATOM 757 CG2 ILE A 50 4.007 -8.366 -2.947 1.00 0.00 C ATOM 758 CD1 ILE A 50 4.414 -5.043 -1.030 1.00 0.00 C ATOM 0 H ILE A 50 1.634 -7.662 -3.763 1.00 0.00 H new ATOM 0 HA ILE A 50 2.737 -5.111 -3.047 1.00 0.00 H new ATOM 0 HB ILE A 50 2.817 -7.100 -1.745 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.302 -7.003 -1.128 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.560 -6.031 -2.563 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.461 -8.915 -2.122 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.118 -8.896 -3.289 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.721 -8.287 -3.767 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.295 -4.596 -0.569 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.958 -4.326 -1.712 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.697 -5.313 -0.255 1.00 0.00 H new ATOM 770 N ASP A 51 3.749 -6.067 -5.928 1.00 0.00 N ATOM 771 CA ASP A 51 4.670 -5.734 -7.023 1.00 0.00 C ATOM 772 C ASP A 51 4.566 -4.297 -7.560 1.00 0.00 C ATOM 773 O ASP A 51 5.514 -3.836 -8.195 1.00 0.00 O ATOM 774 CB ASP A 51 4.706 -6.803 -8.147 1.00 0.00 C ATOM 775 CG ASP A 51 3.391 -7.244 -8.808 1.00 0.00 C ATOM 776 OD1 ASP A 51 2.803 -8.245 -8.341 1.00 0.00 O ATOM 777 OD2 ASP A 51 3.032 -6.742 -9.900 1.00 0.00 O ATOM 0 H ASP A 51 3.011 -6.717 -6.200 1.00 0.00 H new ATOM 0 HA ASP A 51 5.649 -5.762 -6.544 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.359 -6.428 -8.935 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.181 -7.694 -7.737 1.00 0.00 H new ATOM 782 N SER A 52 3.507 -3.536 -7.242 1.00 0.00 N ATOM 783 CA SER A 52 3.417 -2.134 -7.672 1.00 0.00 C ATOM 784 C SER A 52 4.431 -1.218 -6.975 1.00 0.00 C ATOM 785 O SER A 52 4.959 -0.287 -7.592 1.00 0.00 O ATOM 786 CB SER A 52 1.997 -1.580 -7.459 1.00 0.00 C ATOM 787 OG SER A 52 1.468 -1.151 -8.689 1.00 0.00 O ATOM 0 H SER A 52 2.711 -3.864 -6.695 1.00 0.00 H new ATOM 0 HA SER A 52 3.658 -2.137 -8.735 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.357 -2.348 -7.025 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.022 -0.750 -6.753 1.00 0.00 H new ATOM 0 HG SER A 52 0.563 -0.800 -8.552 1.00 0.00 H new ATOM 793 N LYS A 53 4.666 -1.418 -5.675 1.00 0.00 N ATOM 794 CA LYS A 53 5.436 -0.508 -4.821 1.00 0.00 C ATOM 795 C LYS A 53 6.916 -0.882 -4.705 1.00 0.00 C ATOM 796 O LYS A 53 7.636 -0.235 -3.941 1.00 0.00 O ATOM 797 CB LYS A 53 4.745 -0.380 -3.445 1.00 0.00 C ATOM 798 CG LYS A 53 3.660 0.718 -3.435 1.00 0.00 C ATOM 799 CD LYS A 53 2.267 0.331 -3.958 1.00 0.00 C ATOM 800 CE LYS A 53 1.249 -0.072 -2.873 1.00 0.00 C ATOM 801 NZ LYS A 53 1.726 -1.177 -2.017 1.00 0.00 N ATOM 0 H LYS A 53 4.318 -2.236 -5.175 1.00 0.00 H new ATOM 0 HA LYS A 53 5.443 0.470 -5.301 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.294 -1.336 -3.177 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.493 -0.156 -2.685 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.550 1.075 -2.411 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.023 1.557 -4.028 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.861 1.172 -4.521 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.376 -0.498 -4.657 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.029 0.794 -2.249 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.315 -0.367 -3.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.001 -1.404 -1.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.911 -2.016 -2.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.603 -0.890 -1.537 1.00 0.00 H new ATOM 815 N VAL A 54 7.408 -1.851 -5.473 1.00 0.00 N ATOM 816 CA VAL A 54 8.779 -2.348 -5.378 1.00 0.00 C ATOM 817 C VAL A 54 9.492 -2.057 -6.704 1.00 0.00 C ATOM 818 O VAL A 54 8.840 -1.939 -7.739 1.00 0.00 O ATOM 819 CB VAL A 54 8.716 -3.850 -5.042 1.00 0.00 C ATOM 820 CG1 VAL A 54 10.113 -4.462 -4.857 1.00 0.00 C ATOM 821 CG2 VAL A 54 7.905 -4.147 -3.770 1.00 0.00 C ATOM 0 H VAL A 54 6.856 -2.321 -6.191 1.00 0.00 H new ATOM 0 HA VAL A 54 9.348 -1.855 -4.590 1.00 0.00 H new ATOM 0 HB VAL A 54 8.219 -4.301 -5.901 1.00 0.00 H new ATOM 0 HG11 VAL A 54 10.018 -5.522 -4.622 1.00 0.00 H new ATOM 0 HG12 VAL A 54 10.686 -4.345 -5.777 1.00 0.00 H new ATOM 0 HG13 VAL A 54 10.628 -3.954 -4.041 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.897 -5.221 -3.586 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.360 -3.637 -2.921 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.882 -3.794 -3.900 1.00 0.00 H new ATOM 831 N LYS A 55 10.824 -1.924 -6.687 1.00 0.00 N ATOM 832 CA LYS A 55 11.635 -1.774 -7.900 1.00 0.00 C ATOM 833 C LYS A 55 11.966 -3.144 -8.512 1.00 0.00 C ATOM 834 O LYS A 55 11.420 -4.175 -8.103 1.00 0.00 O ATOM 835 CB LYS A 55 12.911 -0.984 -7.580 1.00 0.00 C ATOM 836 CG LYS A 55 12.693 0.425 -7.007 1.00 0.00 C ATOM 837 CD LYS A 55 11.955 1.431 -7.905 1.00 0.00 C ATOM 838 CE LYS A 55 10.435 1.438 -7.697 1.00 0.00 C ATOM 839 NZ LYS A 55 9.780 2.585 -8.363 1.00 0.00 N ATOM 0 H LYS A 55 11.372 -1.917 -5.826 1.00 0.00 H new ATOM 0 HA LYS A 55 11.061 -1.217 -8.641 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.504 -1.559 -6.868 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.502 -0.899 -8.492 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.137 0.330 -6.074 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.667 0.844 -6.756 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.344 2.431 -7.713 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.170 1.200 -8.948 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.014 0.509 -8.082 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.217 1.468 -6.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.755 2.546 -8.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.161 3.473 -7.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.964 2.544 -9.386 1.00 0.00 H new ATOM 853 N GLY A 56 12.858 -3.175 -9.503 1.00 0.00 N ATOM 854 CA GLY A 56 13.298 -4.378 -10.186 1.00 0.00 C ATOM 855 C GLY A 56 14.235 -5.213 -9.314 1.00 0.00 C ATOM 856 O GLY A 56 15.457 -5.044 -9.390 1.00 0.00 O ATOM 0 H GLY A 56 13.306 -2.331 -9.860 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.430 -4.976 -10.464 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.807 -4.106 -11.110 1.00 0.00 H new ATOM 860 N MET A 57 13.656 -6.121 -8.519 1.00 0.00 N ATOM 861 CA MET A 57 14.339 -7.135 -7.705 1.00 0.00 C ATOM 862 C MET A 57 15.458 -7.827 -8.492 1.00 0.00 C ATOM 863 O MET A 57 15.270 -8.136 -9.674 1.00 0.00 O ATOM 864 CB MET A 57 13.287 -8.160 -7.222 1.00 0.00 C ATOM 865 CG MET A 57 13.821 -9.283 -6.313 1.00 0.00 C ATOM 866 SD MET A 57 12.664 -10.659 -6.032 1.00 0.00 S ATOM 867 CE MET A 57 11.418 -9.903 -4.950 1.00 0.00 C ATOM 0 H MET A 57 12.642 -6.171 -8.421 1.00 0.00 H new ATOM 0 HA MET A 57 14.811 -6.654 -6.848 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.504 -7.624 -6.686 1.00 0.00 H new ATOM 0 HB3 MET A 57 12.821 -8.615 -8.096 1.00 0.00 H new ATOM 0 HG2 MET A 57 14.736 -9.681 -6.752 1.00 0.00 H new ATOM 0 HG3 MET A 57 14.091 -8.852 -5.349 1.00 0.00 H new ATOM 0 HE1 MET A 57 10.473 -10.436 -5.056 1.00 0.00 H new ATOM 0 HE2 MET A 57 11.753 -9.960 -3.914 1.00 0.00 H new ATOM 0 HE3 MET A 57 11.279 -8.859 -5.229 1.00 0.00 H new ATOM 877 N VAL A 58 16.588 -8.112 -7.846 1.00 0.00 N ATOM 878 CA VAL A 58 17.714 -8.837 -8.433 1.00 0.00 C ATOM 879 C VAL A 58 18.110 -10.022 -7.564 1.00 0.00 C ATOM 880 O VAL A 58 17.727 -10.123 -6.395 1.00 0.00 O ATOM 881 CB VAL A 58 18.918 -7.907 -8.703 1.00 0.00 C ATOM 882 CG1 VAL A 58 18.522 -6.725 -9.587 1.00 0.00 C ATOM 883 CG2 VAL A 58 19.581 -7.361 -7.433 1.00 0.00 C ATOM 0 H VAL A 58 16.750 -7.839 -6.877 1.00 0.00 H new ATOM 0 HA VAL A 58 17.388 -9.223 -9.399 1.00 0.00 H new ATOM 0 HB VAL A 58 19.645 -8.540 -9.212 1.00 0.00 H new ATOM 0 HG11 VAL A 58 19.392 -6.091 -9.757 1.00 0.00 H new ATOM 0 HG12 VAL A 58 18.149 -7.094 -10.542 1.00 0.00 H new ATOM 0 HG13 VAL A 58 17.742 -6.146 -9.092 1.00 0.00 H new ATOM 0 HG21 VAL A 58 20.417 -6.717 -7.707 1.00 0.00 H new ATOM 0 HG22 VAL A 58 18.853 -6.786 -6.861 1.00 0.00 H new ATOM 0 HG23 VAL A 58 19.945 -8.191 -6.827 1.00 0.00 H new ATOM 893 N PHE A 59 18.898 -10.914 -8.157 1.00 0.00 N ATOM 894 CA PHE A 59 19.449 -12.071 -7.491 1.00 0.00 C ATOM 895 C PHE A 59 20.673 -11.617 -6.707 1.00 0.00 C ATOM 896 O PHE A 59 21.450 -10.777 -7.170 1.00 0.00 O ATOM 897 CB PHE A 59 19.773 -13.146 -8.540 1.00 0.00 C ATOM 898 CG PHE A 59 18.610 -14.044 -8.933 1.00 0.00 C ATOM 899 CD1 PHE A 59 18.146 -15.018 -8.029 1.00 0.00 C ATOM 900 CD2 PHE A 59 17.993 -13.930 -10.199 1.00 0.00 C ATOM 901 CE1 PHE A 59 17.076 -15.856 -8.383 1.00 0.00 C ATOM 902 CE2 PHE A 59 16.935 -14.783 -10.559 1.00 0.00 C ATOM 903 CZ PHE A 59 16.481 -15.751 -9.649 1.00 0.00 C ATOM 0 H PHE A 59 19.173 -10.843 -9.137 1.00 0.00 H new ATOM 0 HA PHE A 59 18.743 -12.516 -6.790 1.00 0.00 H new ATOM 0 HB2 PHE A 59 20.149 -12.653 -9.437 1.00 0.00 H new ATOM 0 HB3 PHE A 59 20.580 -13.771 -8.158 1.00 0.00 H new ATOM 0 HD1 PHE A 59 18.614 -15.121 -7.061 1.00 0.00 H new ATOM 0 HD2 PHE A 59 18.337 -13.181 -10.896 1.00 0.00 H new ATOM 0 HE1 PHE A 59 16.709 -16.586 -7.676 1.00 0.00 H new ATOM 0 HE2 PHE A 59 16.473 -14.694 -11.531 1.00 0.00 H new ATOM 0 HZ PHE A 59 15.674 -16.414 -9.924 1.00 0.00 H new ATOM 913 N LEU A 60 20.838 -12.188 -5.514 1.00 0.00 N ATOM 914 CA LEU A 60 22.019 -11.986 -4.688 1.00 0.00 C ATOM 915 C LEU A 60 23.186 -12.811 -5.240 1.00 0.00 C ATOM 916 O LEU A 60 23.026 -13.573 -6.201 1.00 0.00 O ATOM 917 CB LEU A 60 21.679 -12.361 -3.235 1.00 0.00 C ATOM 918 CG LEU A 60 20.860 -11.312 -2.464 1.00 0.00 C ATOM 919 CD1 LEU A 60 20.505 -11.830 -1.064 1.00 0.00 C ATOM 920 CD2 LEU A 60 21.622 -10.001 -2.269 1.00 0.00 C ATOM 0 H LEU A 60 20.147 -12.809 -5.094 1.00 0.00 H new ATOM 0 HA LEU A 60 22.326 -10.940 -4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 60 21.126 -13.300 -3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 60 22.609 -12.541 -2.696 1.00 0.00 H new ATOM 0 HG LEU A 60 19.969 -11.131 -3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 60 19.926 -11.075 -0.533 1.00 0.00 H new ATOM 0 HD12 LEU A 60 19.916 -12.743 -1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 60 21.420 -12.040 -0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 60 20.998 -9.296 -1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 60 22.536 -10.192 -1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 60 21.875 -9.579 -3.242 1.00 0.00 H new ATOM 932 N LYS A 61 24.358 -12.713 -4.590 1.00 0.00 N ATOM 933 CA LYS A 61 25.624 -13.377 -4.929 1.00 0.00 C ATOM 934 C LYS A 61 25.575 -14.917 -4.979 1.00 0.00 C ATOM 935 O LYS A 61 26.618 -15.551 -5.134 1.00 0.00 O ATOM 936 CB LYS A 61 26.740 -12.898 -3.989 1.00 0.00 C ATOM 937 CG LYS A 61 26.660 -13.486 -2.567 1.00 0.00 C ATOM 938 CD LYS A 61 27.825 -14.427 -2.236 1.00 0.00 C ATOM 939 CE LYS A 61 27.636 -15.003 -0.829 1.00 0.00 C ATOM 940 NZ LYS A 61 28.844 -15.705 -0.349 1.00 0.00 N ATOM 0 H LYS A 61 24.450 -12.129 -3.759 1.00 0.00 H new ATOM 0 HA LYS A 61 25.835 -13.079 -5.956 1.00 0.00 H new ATOM 0 HB2 LYS A 61 27.704 -13.159 -4.425 1.00 0.00 H new ATOM 0 HB3 LYS A 61 26.704 -11.811 -3.924 1.00 0.00 H new ATOM 0 HG2 LYS A 61 26.643 -12.670 -1.844 1.00 0.00 H new ATOM 0 HG3 LYS A 61 25.721 -14.028 -2.457 1.00 0.00 H new ATOM 0 HD2 LYS A 61 27.873 -15.234 -2.967 1.00 0.00 H new ATOM 0 HD3 LYS A 61 28.770 -13.887 -2.295 1.00 0.00 H new ATOM 0 HE2 LYS A 61 27.387 -14.197 -0.138 1.00 0.00 H new ATOM 0 HE3 LYS A 61 26.793 -15.693 -0.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 28.672 -16.079 0.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 29.068 -16.490 -0.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 29.644 -15.041 -0.322 1.00 0.00 H new ATOM 954 N GLY A 62 24.413 -15.519 -4.768 1.00 0.00 N ATOM 955 CA GLY A 62 24.142 -16.939 -4.838 1.00 0.00 C ATOM 956 C GLY A 62 22.636 -17.121 -4.959 1.00 0.00 C ATOM 957 O GLY A 62 21.878 -16.443 -4.262 1.00 0.00 O ATOM 0 H GLY A 62 23.578 -14.985 -4.526 1.00 0.00 H new ATOM 0 HA2 GLY A 62 24.650 -17.383 -5.694 1.00 0.00 H new ATOM 0 HA3 GLY A 62 24.517 -17.444 -3.948 1.00 0.00 H new ATOM 961 N LYS A 63 22.246 -18.097 -5.784 1.00 0.00 N ATOM 962 CA LYS A 63 20.931 -18.649 -6.143 1.00 0.00 C ATOM 963 C LYS A 63 19.934 -18.906 -5.000 1.00 0.00 C ATOM 964 O LYS A 63 18.842 -19.401 -5.261 1.00 0.00 O ATOM 965 CB LYS A 63 21.190 -19.947 -6.947 1.00 0.00 C ATOM 966 CG LYS A 63 22.144 -20.945 -6.246 1.00 0.00 C ATOM 967 CD LYS A 63 23.554 -20.932 -6.859 1.00 0.00 C ATOM 968 CE LYS A 63 24.594 -21.558 -5.932 1.00 0.00 C ATOM 969 NZ LYS A 63 25.961 -21.458 -6.488 1.00 0.00 N ATOM 0 H LYS A 63 22.967 -18.601 -6.301 1.00 0.00 H new ATOM 0 HA LYS A 63 20.423 -17.875 -6.718 1.00 0.00 H new ATOM 0 HB2 LYS A 63 20.237 -20.442 -7.134 1.00 0.00 H new ATOM 0 HB3 LYS A 63 21.608 -19.683 -7.918 1.00 0.00 H new ATOM 0 HG2 LYS A 63 22.209 -20.699 -5.186 1.00 0.00 H new ATOM 0 HG3 LYS A 63 21.729 -21.951 -6.315 1.00 0.00 H new ATOM 0 HD2 LYS A 63 23.541 -21.473 -7.805 1.00 0.00 H new ATOM 0 HD3 LYS A 63 23.841 -19.905 -7.083 1.00 0.00 H new ATOM 0 HE2 LYS A 63 24.560 -21.063 -4.962 1.00 0.00 H new ATOM 0 HE3 LYS A 63 24.346 -22.606 -5.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 26.637 -21.894 -5.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 26.001 -21.952 -7.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 26.208 -20.457 -6.625 1.00 0.00 H new ATOM 983 N LEU A 64 20.287 -18.603 -3.753 1.00 0.00 N ATOM 984 CA LEU A 64 19.534 -18.886 -2.530 1.00 0.00 C ATOM 985 C LEU A 64 19.024 -17.588 -1.885 1.00 0.00 C ATOM 986 O LEU A 64 18.650 -17.541 -0.712 1.00 0.00 O ATOM 987 CB LEU A 64 20.430 -19.682 -1.565 1.00 0.00 C ATOM 988 CG LEU A 64 21.256 -20.832 -2.183 1.00 0.00 C ATOM 989 CD1 LEU A 64 22.174 -21.435 -1.121 1.00 0.00 C ATOM 990 CD2 LEU A 64 20.395 -21.939 -2.803 1.00 0.00 C ATOM 0 H LEU A 64 21.164 -18.122 -3.555 1.00 0.00 H new ATOM 0 HA LEU A 64 18.656 -19.484 -2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 64 21.119 -18.986 -1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 64 19.800 -20.098 -0.779 1.00 0.00 H new ATOM 0 HG LEU A 64 21.838 -20.395 -2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 64 22.755 -22.246 -1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 64 22.850 -20.667 -0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 64 21.573 -21.823 -0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 64 21.041 -22.713 -3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 64 19.754 -22.374 -2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 64 19.777 -21.518 -3.597 1.00 0.00 H new ATOM 1002 N GLY A 65 19.059 -16.487 -2.635 1.00 0.00 N ATOM 1003 CA GLY A 65 18.723 -15.169 -2.123 1.00 0.00 C ATOM 1004 C GLY A 65 18.547 -14.125 -3.214 1.00 0.00 C ATOM 1005 O GLY A 65 19.051 -14.263 -4.332 1.00 0.00 O ATOM 0 H GLY A 65 19.323 -16.490 -3.620 1.00 0.00 H new ATOM 0 HA2 GLY A 65 17.803 -15.236 -1.543 1.00 0.00 H new ATOM 0 HA3 GLY A 65 19.507 -14.842 -1.440 1.00 0.00 H new ATOM 1009 N VAL A 66 17.831 -13.070 -2.858 1.00 0.00 N ATOM 1010 CA VAL A 66 17.432 -12.010 -3.770 1.00 0.00 C ATOM 1011 C VAL A 66 17.366 -10.718 -2.964 1.00 0.00 C ATOM 1012 O VAL A 66 17.368 -10.766 -1.730 1.00 0.00 O ATOM 1013 CB VAL A 66 16.077 -12.412 -4.398 1.00 0.00 C ATOM 1014 CG1 VAL A 66 16.144 -13.345 -5.621 1.00 0.00 C ATOM 1015 CG2 VAL A 66 14.941 -12.721 -3.416 1.00 0.00 C ATOM 0 H VAL A 66 17.503 -12.924 -1.903 1.00 0.00 H new ATOM 0 HA VAL A 66 18.136 -11.856 -4.588 1.00 0.00 H new ATOM 0 HB VAL A 66 15.767 -11.463 -4.835 1.00 0.00 H new ATOM 0 HG11 VAL A 66 15.134 -13.557 -5.973 1.00 0.00 H new ATOM 0 HG12 VAL A 66 16.712 -12.862 -6.416 1.00 0.00 H new ATOM 0 HG13 VAL A 66 16.633 -14.278 -5.341 1.00 0.00 H new ATOM 0 HG21 VAL A 66 14.043 -12.990 -3.972 1.00 0.00 H new ATOM 0 HG22 VAL A 66 15.232 -13.551 -2.773 1.00 0.00 H new ATOM 0 HG23 VAL A 66 14.739 -11.842 -2.804 1.00 0.00 H new ATOM 1025 N CYS A 67 17.303 -9.568 -3.625 1.00 0.00 N ATOM 1026 CA CYS A 67 17.150 -8.288 -2.973 1.00 0.00 C ATOM 1027 C CYS A 67 16.356 -7.344 -3.858 1.00 0.00 C ATOM 1028 O CYS A 67 16.239 -7.555 -5.070 1.00 0.00 O ATOM 1029 CB CYS A 67 18.540 -7.728 -2.650 1.00 0.00 C ATOM 1030 SG CYS A 67 19.621 -7.722 -4.105 1.00 0.00 S ATOM 0 H CYS A 67 17.358 -9.506 -4.642 1.00 0.00 H new ATOM 0 HA CYS A 67 16.596 -8.402 -2.041 1.00 0.00 H new ATOM 0 HB2 CYS A 67 18.442 -6.712 -2.266 1.00 0.00 H new ATOM 0 HB3 CYS A 67 18.997 -8.324 -1.860 1.00 0.00 H new ATOM 0 HG CYS A 67 20.783 -7.238 -3.780 1.00 0.00 H new ATOM 1036 N PHE A 68 15.791 -6.297 -3.272 1.00 0.00 N ATOM 1037 CA PHE A 68 15.040 -5.328 -4.066 1.00 0.00 C ATOM 1038 C PHE A 68 14.973 -3.995 -3.344 1.00 0.00 C ATOM 1039 O PHE A 68 15.029 -3.969 -2.119 1.00 0.00 O ATOM 1040 CB PHE A 68 13.626 -5.868 -4.319 1.00 0.00 C ATOM 1041 CG PHE A 68 12.858 -6.272 -3.075 1.00 0.00 C ATOM 1042 CD1 PHE A 68 12.174 -5.317 -2.317 1.00 0.00 C ATOM 1043 CD2 PHE A 68 12.868 -7.602 -2.650 1.00 0.00 C ATOM 1044 CE1 PHE A 68 11.463 -5.696 -1.174 1.00 0.00 C ATOM 1045 CE2 PHE A 68 12.174 -7.996 -1.494 1.00 0.00 C ATOM 1046 CZ PHE A 68 11.459 -7.036 -0.750 1.00 0.00 C ATOM 0 H PHE A 68 15.835 -6.097 -2.273 1.00 0.00 H new ATOM 0 HA PHE A 68 15.544 -5.175 -5.020 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.053 -5.107 -4.849 1.00 0.00 H new ATOM 0 HB3 PHE A 68 13.697 -6.732 -4.980 1.00 0.00 H new ATOM 0 HD1 PHE A 68 12.195 -4.279 -2.616 1.00 0.00 H new ATOM 0 HD2 PHE A 68 13.417 -8.338 -3.218 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.913 -4.954 -0.613 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.188 -9.028 -1.177 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.914 -7.327 0.136 1.00 0.00 H new ATOM 1056 N ASP A 69 14.819 -2.912 -4.098 1.00 0.00 N ATOM 1057 CA ASP A 69 14.652 -1.578 -3.517 1.00 0.00 C ATOM 1058 C ASP A 69 13.177 -1.304 -3.284 1.00 0.00 C ATOM 1059 O ASP A 69 12.311 -1.668 -4.096 1.00 0.00 O ATOM 1060 CB ASP A 69 15.214 -0.472 -4.405 1.00 0.00 C ATOM 1061 CG ASP A 69 16.640 -0.656 -4.883 1.00 0.00 C ATOM 1062 OD1 ASP A 69 17.459 -1.302 -4.171 1.00 0.00 O ATOM 1063 OD2 ASP A 69 16.916 -0.261 -6.039 1.00 0.00 O ATOM 0 H ASP A 69 14.806 -2.929 -5.118 1.00 0.00 H new ATOM 0 HA ASP A 69 15.208 -1.572 -2.579 1.00 0.00 H new ATOM 0 HB2 ASP A 69 14.570 -0.374 -5.279 1.00 0.00 H new ATOM 0 HB3 ASP A 69 15.155 0.469 -3.858 1.00 0.00 H new ATOM 1068 N VAL A 70 12.889 -0.589 -2.201 1.00 0.00 N ATOM 1069 CA VAL A 70 11.562 -0.128 -1.821 1.00 0.00 C ATOM 1070 C VAL A 70 11.686 1.248 -1.164 1.00 0.00 C ATOM 1071 O VAL A 70 12.754 1.573 -0.636 1.00 0.00 O ATOM 1072 CB VAL A 70 10.886 -1.120 -0.848 1.00 0.00 C ATOM 1073 CG1 VAL A 70 10.010 -2.116 -1.600 1.00 0.00 C ATOM 1074 CG2 VAL A 70 11.870 -1.911 0.021 1.00 0.00 C ATOM 0 H VAL A 70 13.608 -0.303 -1.536 1.00 0.00 H new ATOM 0 HA VAL A 70 10.940 -0.062 -2.714 1.00 0.00 H new ATOM 0 HB VAL A 70 10.286 -0.494 -0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.547 -2.802 -0.890 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.234 -1.579 -2.145 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.622 -2.681 -2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.317 -2.584 0.676 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.535 -2.491 -0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.459 -1.220 0.625 1.00 0.00 H new ATOM 1084 N PRO A 71 10.602 2.044 -1.151 1.00 0.00 N ATOM 1085 CA PRO A 71 10.577 3.312 -0.440 1.00 0.00 C ATOM 1086 C PRO A 71 10.846 3.062 1.039 1.00 0.00 C ATOM 1087 O PRO A 71 10.313 2.104 1.600 1.00 0.00 O ATOM 1088 CB PRO A 71 9.169 3.876 -0.666 1.00 0.00 C ATOM 1089 CG PRO A 71 8.314 2.668 -1.016 1.00 0.00 C ATOM 1090 CD PRO A 71 9.300 1.764 -1.743 1.00 0.00 C ATOM 0 HA PRO A 71 11.336 4.012 -0.790 1.00 0.00 H new ATOM 0 HB2 PRO A 71 8.797 4.378 0.227 1.00 0.00 H new ATOM 0 HB3 PRO A 71 9.162 4.611 -1.471 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.905 2.189 -0.126 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.469 2.939 -1.649 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.032 0.714 -1.621 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.304 1.970 -2.813 1.00 0.00 H new ATOM 1098 N THR A 72 11.585 3.942 1.709 1.00 0.00 N ATOM 1099 CA THR A 72 11.748 3.909 3.161 1.00 0.00 C ATOM 1100 C THR A 72 10.367 3.924 3.847 1.00 0.00 C ATOM 1101 O THR A 72 10.159 3.251 4.857 1.00 0.00 O ATOM 1102 CB THR A 72 12.626 5.103 3.567 1.00 0.00 C ATOM 1103 OG1 THR A 72 13.812 5.129 2.790 1.00 0.00 O ATOM 1104 CG2 THR A 72 13.017 5.112 5.040 1.00 0.00 C ATOM 0 H THR A 72 12.091 4.704 1.257 1.00 0.00 H new ATOM 0 HA THR A 72 12.242 2.992 3.483 1.00 0.00 H new ATOM 0 HB THR A 72 12.014 5.987 3.386 1.00 0.00 H new ATOM 0 HG1 THR A 72 14.035 6.056 2.565 1.00 0.00 H new ATOM 0 HG21 THR A 72 13.636 5.985 5.247 1.00 0.00 H new ATOM 0 HG22 THR A 72 12.118 5.150 5.655 1.00 0.00 H new ATOM 0 HG23 THR A 72 13.578 4.207 5.273 1.00 0.00 H new ATOM 1112 N ALA A 73 9.392 4.604 3.231 1.00 0.00 N ATOM 1113 CA ALA A 73 7.993 4.650 3.633 1.00 0.00 C ATOM 1114 C ALA A 73 7.235 3.314 3.441 1.00 0.00 C ATOM 1115 O ALA A 73 6.034 3.248 3.721 1.00 0.00 O ATOM 1116 CB ALA A 73 7.335 5.794 2.856 1.00 0.00 C ATOM 0 H ALA A 73 9.574 5.163 2.397 1.00 0.00 H new ATOM 0 HA ALA A 73 7.944 4.825 4.708 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.282 5.862 3.130 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.834 6.732 3.098 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.420 5.603 1.786 1.00 0.00 H new ATOM 1122 N SER A 74 7.897 2.250 2.974 1.00 0.00 N ATOM 1123 CA SER A 74 7.412 0.871 3.041 1.00 0.00 C ATOM 1124 C SER A 74 8.451 -0.104 3.622 1.00 0.00 C ATOM 1125 O SER A 74 8.057 -1.148 4.127 1.00 0.00 O ATOM 1126 CB SER A 74 6.939 0.421 1.656 1.00 0.00 C ATOM 1127 OG SER A 74 6.039 -0.663 1.749 1.00 0.00 O ATOM 0 H SER A 74 8.810 2.329 2.527 1.00 0.00 H new ATOM 0 HA SER A 74 6.570 0.853 3.732 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.456 1.254 1.146 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.799 0.132 1.052 1.00 0.00 H new ATOM 0 HG SER A 74 5.752 -0.928 0.850 1.00 0.00 H new ATOM 1133 N VAL A 75 9.752 0.209 3.645 1.00 0.00 N ATOM 1134 CA VAL A 75 10.793 -0.646 4.240 1.00 0.00 C ATOM 1135 C VAL A 75 10.366 -1.076 5.650 1.00 0.00 C ATOM 1136 O VAL A 75 10.284 -2.268 5.953 1.00 0.00 O ATOM 1137 CB VAL A 75 12.145 0.101 4.209 1.00 0.00 C ATOM 1138 CG1 VAL A 75 13.227 -0.547 5.079 1.00 0.00 C ATOM 1139 CG2 VAL A 75 12.690 0.179 2.774 1.00 0.00 C ATOM 0 H VAL A 75 10.119 1.073 3.247 1.00 0.00 H new ATOM 0 HA VAL A 75 10.921 -1.561 3.662 1.00 0.00 H new ATOM 0 HB VAL A 75 11.930 1.092 4.609 1.00 0.00 H new ATOM 0 HG11 VAL A 75 14.147 0.033 5.007 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.894 -0.571 6.117 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.411 -1.564 4.733 1.00 0.00 H new ATOM 0 HG21 VAL A 75 13.643 0.709 2.775 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.836 -0.829 2.385 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.979 0.712 2.143 1.00 0.00 H new ATOM 1149 N THR A 76 10.020 -0.096 6.478 1.00 0.00 N ATOM 1150 CA THR A 76 9.642 -0.290 7.867 1.00 0.00 C ATOM 1151 C THR A 76 8.240 -0.911 8.016 1.00 0.00 C ATOM 1152 O THR A 76 7.949 -1.504 9.055 1.00 0.00 O ATOM 1153 CB THR A 76 9.810 1.089 8.538 1.00 0.00 C ATOM 1154 OG1 THR A 76 11.101 1.597 8.212 1.00 0.00 O ATOM 1155 CG2 THR A 76 9.713 1.092 10.060 1.00 0.00 C ATOM 0 H THR A 76 9.995 0.882 6.190 1.00 0.00 H new ATOM 0 HA THR A 76 10.277 -1.023 8.365 1.00 0.00 H new ATOM 0 HB THR A 76 8.984 1.692 8.161 1.00 0.00 H new ATOM 0 HG1 THR A 76 11.222 2.475 8.630 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.845 2.108 10.431 1.00 0.00 H new ATOM 0 HG22 THR A 76 8.735 0.719 10.363 1.00 0.00 H new ATOM 0 HG23 THR A 76 10.490 0.451 10.475 1.00 0.00 H new ATOM 1163 N GLU A 77 7.394 -0.848 6.981 1.00 0.00 N ATOM 1164 CA GLU A 77 6.098 -1.519 6.940 1.00 0.00 C ATOM 1165 C GLU A 77 6.300 -3.023 6.744 1.00 0.00 C ATOM 1166 O GLU A 77 5.673 -3.826 7.424 1.00 0.00 O ATOM 1167 CB GLU A 77 5.268 -0.959 5.772 1.00 0.00 C ATOM 1168 CG GLU A 77 3.872 -1.571 5.635 1.00 0.00 C ATOM 1169 CD GLU A 77 2.777 -0.860 6.423 1.00 0.00 C ATOM 1170 OE1 GLU A 77 3.063 -0.166 7.424 1.00 0.00 O ATOM 1171 OE2 GLU A 77 1.619 -1.010 5.952 1.00 0.00 O ATOM 0 H GLU A 77 7.599 -0.318 6.134 1.00 0.00 H new ATOM 0 HA GLU A 77 5.573 -1.345 7.879 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.168 0.119 5.898 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.815 -1.122 4.843 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.596 -1.576 4.581 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.914 -2.611 5.958 1.00 0.00 H new ATOM 1178 N ILE A 78 7.151 -3.415 5.792 1.00 0.00 N ATOM 1179 CA ILE A 78 7.359 -4.803 5.367 1.00 0.00 C ATOM 1180 C ILE A 78 7.812 -5.639 6.567 1.00 0.00 C ATOM 1181 O ILE A 78 7.286 -6.727 6.781 1.00 0.00 O ATOM 1182 CB ILE A 78 8.370 -4.819 4.196 1.00 0.00 C ATOM 1183 CG1 ILE A 78 7.786 -4.088 2.963 1.00 0.00 C ATOM 1184 CG2 ILE A 78 8.727 -6.251 3.787 1.00 0.00 C ATOM 1185 CD1 ILE A 78 8.860 -3.448 2.081 1.00 0.00 C ATOM 0 H ILE A 78 7.734 -2.754 5.279 1.00 0.00 H new ATOM 0 HA ILE A 78 6.434 -5.250 5.004 1.00 0.00 H new ATOM 0 HB ILE A 78 9.269 -4.309 4.542 1.00 0.00 H new ATOM 0 HG12 ILE A 78 7.210 -4.796 2.368 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.093 -3.317 3.300 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.439 -6.227 2.962 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.172 -6.772 4.635 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.825 -6.775 3.472 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.387 -2.951 1.234 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.421 -2.717 2.663 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.539 -4.219 1.717 1.00 0.00 H new ATOM 1197 N GLN A 79 8.748 -5.127 7.373 1.00 0.00 N ATOM 1198 CA GLN A 79 9.227 -5.834 8.560 1.00 0.00 C ATOM 1199 C GLN A 79 8.169 -5.879 9.680 1.00 0.00 C ATOM 1200 O GLN A 79 8.299 -6.698 10.588 1.00 0.00 O ATOM 1201 CB GLN A 79 10.551 -5.225 9.038 1.00 0.00 C ATOM 1202 CG GLN A 79 11.605 -5.201 7.914 1.00 0.00 C ATOM 1203 CD GLN A 79 13.015 -5.474 8.430 1.00 0.00 C ATOM 1204 OE1 GLN A 79 13.474 -4.913 9.419 1.00 0.00 O ATOM 1205 NE2 GLN A 79 13.763 -6.345 7.785 1.00 0.00 N ATOM 0 H GLN A 79 9.190 -4.220 7.221 1.00 0.00 H new ATOM 0 HA GLN A 79 9.411 -6.872 8.284 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.377 -4.210 9.396 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.932 -5.799 9.882 1.00 0.00 H new ATOM 0 HG2 GLN A 79 11.346 -5.946 7.162 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.584 -4.229 7.421 1.00 0.00 H new ATOM 0 HE21 GLN A 79 13.396 -6.820 6.960 1.00 0.00 H new ATOM 0 HE22 GLN A 79 14.709 -6.544 8.110 1.00 0.00 H new ATOM 1214 N GLU A 80 7.125 -5.040 9.620 1.00 0.00 N ATOM 1215 CA GLU A 80 5.937 -5.046 10.486 1.00 0.00 C ATOM 1216 C GLU A 80 4.759 -5.848 9.888 1.00 0.00 C ATOM 1217 O GLU A 80 3.685 -5.916 10.499 1.00 0.00 O ATOM 1218 CB GLU A 80 5.508 -3.581 10.737 1.00 0.00 C ATOM 1219 CG GLU A 80 5.950 -3.024 12.098 1.00 0.00 C ATOM 1220 CD GLU A 80 4.892 -3.180 13.203 1.00 0.00 C ATOM 1221 OE1 GLU A 80 4.615 -4.333 13.606 1.00 0.00 O ATOM 1222 OE2 GLU A 80 4.368 -2.144 13.681 1.00 0.00 O ATOM 0 H GLU A 80 7.085 -4.295 8.925 1.00 0.00 H new ATOM 0 HA GLU A 80 6.203 -5.542 11.420 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.920 -2.952 9.948 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.423 -3.514 10.664 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.864 -3.530 12.408 1.00 0.00 H new ATOM 0 HG3 GLU A 80 6.193 -1.967 11.987 1.00 0.00 H new ATOM 1229 N LYS A 81 4.931 -6.450 8.706 1.00 0.00 N ATOM 1230 CA LYS A 81 3.918 -7.227 7.987 1.00 0.00 C ATOM 1231 C LYS A 81 4.425 -8.604 7.543 1.00 0.00 C ATOM 1232 O LYS A 81 3.708 -9.295 6.820 1.00 0.00 O ATOM 1233 CB LYS A 81 3.440 -6.406 6.776 1.00 0.00 C ATOM 1234 CG LYS A 81 2.387 -5.347 7.103 1.00 0.00 C ATOM 1235 CD LYS A 81 0.970 -5.945 7.182 1.00 0.00 C ATOM 1236 CE LYS A 81 -0.052 -4.944 6.629 1.00 0.00 C ATOM 1237 NZ LYS A 81 -1.436 -5.465 6.657 1.00 0.00 N ATOM 0 H LYS A 81 5.818 -6.407 8.204 1.00 0.00 H new ATOM 0 HA LYS A 81 3.090 -7.420 8.669 1.00 0.00 H new ATOM 0 HB2 LYS A 81 4.302 -5.916 6.323 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.032 -7.087 6.029 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.633 -4.872 8.053 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.409 -4.567 6.342 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.926 -6.874 6.614 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.727 -6.192 8.216 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.003 -4.023 7.210 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.215 -4.688 5.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.084 -4.749 6.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.493 -6.329 6.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.705 -5.684 7.637 1.00 0.00 H new ATOM 1251 N TRP A 82 5.634 -9.024 7.908 1.00 0.00 N ATOM 1252 CA TRP A 82 6.154 -10.333 7.576 1.00 0.00 C ATOM 1253 C TRP A 82 6.243 -11.188 8.841 1.00 0.00 C ATOM 1254 O TRP A 82 6.626 -10.703 9.910 1.00 0.00 O ATOM 1255 CB TRP A 82 7.517 -10.163 6.922 1.00 0.00 C ATOM 1256 CG TRP A 82 8.192 -11.456 6.625 1.00 0.00 C ATOM 1257 CD1 TRP A 82 8.966 -12.121 7.505 1.00 0.00 C ATOM 1258 CD2 TRP A 82 8.192 -12.253 5.401 1.00 0.00 C ATOM 1259 NE1 TRP A 82 9.413 -13.285 6.937 1.00 0.00 N ATOM 1260 CE2 TRP A 82 8.974 -13.416 5.644 1.00 0.00 C ATOM 1261 CE3 TRP A 82 7.665 -12.096 4.102 1.00 0.00 C ATOM 1262 CZ2 TRP A 82 9.234 -14.370 4.661 1.00 0.00 C ATOM 1263 CZ3 TRP A 82 7.925 -13.049 3.099 1.00 0.00 C ATOM 1264 CH2 TRP A 82 8.725 -14.169 3.371 1.00 0.00 C ATOM 0 H TRP A 82 6.282 -8.452 8.449 1.00 0.00 H new ATOM 0 HA TRP A 82 5.491 -10.843 6.877 1.00 0.00 H new ATOM 0 HB2 TRP A 82 7.400 -9.601 5.996 1.00 0.00 H new ATOM 0 HB3 TRP A 82 8.155 -9.570 7.577 1.00 0.00 H new ATOM 0 HD1 TRP A 82 9.199 -11.787 8.505 1.00 0.00 H new ATOM 0 HE1 TRP A 82 9.999 -13.969 7.416 1.00 0.00 H new ATOM 0 HE3 TRP A 82 7.055 -11.234 3.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 9.818 -15.249 4.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 7.505 -12.917 2.113 1.00 0.00 H new ATOM 0 HH2 TRP A 82 8.949 -14.876 2.586 1.00 0.00 H new ATOM 1275 N HIS A 83 5.995 -12.488 8.679 1.00 0.00 N ATOM 1276 CA HIS A 83 6.319 -13.512 9.650 1.00 0.00 C ATOM 1277 C HIS A 83 7.188 -14.553 8.960 1.00 0.00 C ATOM 1278 O HIS A 83 6.933 -14.919 7.813 1.00 0.00 O ATOM 1279 CB HIS A 83 5.053 -14.153 10.219 1.00 0.00 C ATOM 1280 CG HIS A 83 4.101 -13.166 10.843 1.00 0.00 C ATOM 1281 ND1 HIS A 83 4.385 -12.268 11.848 1.00 0.00 N ATOM 1282 CD2 HIS A 83 2.805 -12.964 10.463 1.00 0.00 C ATOM 1283 CE1 HIS A 83 3.271 -11.550 12.073 1.00 0.00 C ATOM 1284 NE2 HIS A 83 2.279 -11.939 11.250 1.00 0.00 N ATOM 0 H HIS A 83 5.549 -12.860 7.840 1.00 0.00 H new ATOM 0 HA HIS A 83 6.856 -13.070 10.489 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.537 -14.687 9.421 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.336 -14.894 10.967 1.00 0.00 H new ATOM 0 HD2 HIS A 83 2.279 -13.503 9.689 1.00 0.00 H new ATOM 0 HE1 HIS A 83 3.184 -10.768 12.813 1.00 0.00 H new ATOM 0 HE2 HIS A 83 1.333 -11.560 11.210 1.00 0.00 H new ATOM 1292 N ASP A 84 8.223 -15.000 9.664 1.00 0.00 N ATOM 1293 CA ASP A 84 9.229 -15.935 9.177 1.00 0.00 C ATOM 1294 C ASP A 84 8.570 -17.288 8.908 1.00 0.00 C ATOM 1295 O ASP A 84 8.009 -17.906 9.823 1.00 0.00 O ATOM 1296 CB ASP A 84 10.387 -16.085 10.183 1.00 0.00 C ATOM 1297 CG ASP A 84 10.849 -14.762 10.792 1.00 0.00 C ATOM 1298 OD1 ASP A 84 10.205 -14.342 11.786 1.00 0.00 O ATOM 1299 OD2 ASP A 84 11.836 -14.169 10.295 1.00 0.00 O ATOM 0 H ASP A 84 8.390 -14.709 10.627 1.00 0.00 H new ATOM 0 HA ASP A 84 9.652 -15.546 8.251 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.075 -16.754 10.985 1.00 0.00 H new ATOM 0 HB3 ASP A 84 11.232 -16.559 9.683 1.00 0.00 H new ATOM 1304 N SER A 85 8.644 -17.776 7.667 1.00 0.00 N ATOM 1305 CA SER A 85 8.212 -19.129 7.311 1.00 0.00 C ATOM 1306 C SER A 85 9.161 -20.156 7.954 1.00 0.00 C ATOM 1307 O SER A 85 10.101 -19.777 8.650 1.00 0.00 O ATOM 1308 CB SER A 85 8.182 -19.281 5.784 1.00 0.00 C ATOM 1309 OG SER A 85 7.660 -18.127 5.153 1.00 0.00 O ATOM 0 H SER A 85 9.007 -17.241 6.878 1.00 0.00 H new ATOM 0 HA SER A 85 7.205 -19.307 7.688 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.191 -19.471 5.417 1.00 0.00 H new ATOM 0 HB3 SER A 85 7.577 -20.147 5.516 1.00 0.00 H new ATOM 0 HG SER A 85 7.657 -18.258 4.182 1.00 0.00 H new ATOM 1315 N ARG A 86 9.002 -21.462 7.708 1.00 0.00 N ATOM 1316 CA ARG A 86 10.056 -22.413 8.083 1.00 0.00 C ATOM 1317 C ARG A 86 11.313 -22.286 7.210 1.00 0.00 C ATOM 1318 O ARG A 86 12.299 -22.947 7.536 1.00 0.00 O ATOM 1319 CB ARG A 86 9.515 -23.859 8.073 1.00 0.00 C ATOM 1320 CG ARG A 86 9.288 -24.426 9.485 1.00 0.00 C ATOM 1321 CD ARG A 86 8.211 -23.709 10.315 1.00 0.00 C ATOM 1322 NE ARG A 86 8.016 -24.387 11.611 1.00 0.00 N ATOM 1323 CZ ARG A 86 7.299 -25.499 11.829 1.00 0.00 C ATOM 1324 NH1 ARG A 86 6.531 -26.034 10.887 1.00 0.00 N ATOM 1325 NH2 ARG A 86 7.338 -26.097 13.010 1.00 0.00 N ATOM 0 H ARG A 86 8.181 -21.875 7.265 1.00 0.00 H new ATOM 0 HA ARG A 86 10.361 -22.161 9.099 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.575 -23.886 7.521 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.216 -24.500 7.539 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.015 -25.478 9.397 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.231 -24.386 10.031 1.00 0.00 H new ATOM 0 HD2 ARG A 86 8.503 -22.672 10.481 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.271 -23.691 9.763 1.00 0.00 H new ATOM 0 HE ARG A 86 8.472 -23.968 12.422 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.475 -25.598 9.967 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.998 -26.881 11.084 1.00 0.00 H new ATOM 0 HH21 ARG A 86 7.915 -25.712 13.758 1.00 0.00 H new ATOM 0 HH22 ARG A 86 6.791 -26.943 13.172 1.00 0.00 H new ATOM 1339 N ARG A 87 11.304 -21.523 6.110 1.00 0.00 N ATOM 1340 CA ARG A 87 12.330 -21.617 5.061 1.00 0.00 C ATOM 1341 C ARG A 87 12.708 -20.272 4.420 1.00 0.00 C ATOM 1342 O ARG A 87 13.417 -20.252 3.412 1.00 0.00 O ATOM 1343 CB ARG A 87 11.766 -22.580 4.005 1.00 0.00 C ATOM 1344 CG ARG A 87 12.837 -23.317 3.202 1.00 0.00 C ATOM 1345 CD ARG A 87 12.156 -24.135 2.110 1.00 0.00 C ATOM 1346 NE ARG A 87 12.681 -25.496 2.014 1.00 0.00 N ATOM 1347 CZ ARG A 87 12.222 -26.421 1.167 1.00 0.00 C ATOM 1348 NH1 ARG A 87 11.212 -26.154 0.340 1.00 0.00 N ATOM 1349 NH2 ARG A 87 12.796 -27.615 1.163 1.00 0.00 N ATOM 0 H ARG A 87 10.586 -20.823 5.921 1.00 0.00 H new ATOM 0 HA ARG A 87 13.260 -21.972 5.505 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.129 -23.313 4.500 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.133 -22.019 3.318 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.535 -22.605 2.761 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.417 -23.969 3.855 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.085 -24.176 2.307 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.284 -23.632 1.152 1.00 0.00 H new ATOM 0 HE ARG A 87 13.448 -25.756 2.634 1.00 0.00 H new ATOM 0 HH11 ARG A 87 10.777 -25.231 0.347 1.00 0.00 H new ATOM 0 HH12 ARG A 87 10.874 -26.872 -0.301 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.570 -27.811 1.798 1.00 0.00 H new ATOM 0 HH22 ARG A 87 12.464 -28.339 0.525 1.00 0.00 H new ATOM 1363 N TRP A 88 12.194 -19.164 4.946 1.00 0.00 N ATOM 1364 CA TRP A 88 12.252 -17.844 4.347 1.00 0.00 C ATOM 1365 C TRP A 88 12.481 -16.849 5.477 1.00 0.00 C ATOM 1366 O TRP A 88 11.538 -16.494 6.190 1.00 0.00 O ATOM 1367 CB TRP A 88 10.950 -17.559 3.590 1.00 0.00 C ATOM 1368 CG TRP A 88 10.765 -18.320 2.314 1.00 0.00 C ATOM 1369 CD1 TRP A 88 10.189 -19.533 2.147 1.00 0.00 C ATOM 1370 CD2 TRP A 88 11.079 -17.851 0.978 1.00 0.00 C ATOM 1371 NE1 TRP A 88 10.209 -19.878 0.805 1.00 0.00 N ATOM 1372 CE2 TRP A 88 10.731 -18.861 0.035 1.00 0.00 C ATOM 1373 CE3 TRP A 88 11.588 -16.639 0.480 1.00 0.00 C ATOM 1374 CZ2 TRP A 88 10.912 -18.678 -1.343 1.00 0.00 C ATOM 1375 CZ3 TRP A 88 11.856 -16.477 -0.889 1.00 0.00 C ATOM 1376 CH2 TRP A 88 11.521 -17.496 -1.794 1.00 0.00 C ATOM 0 H TRP A 88 11.705 -19.167 5.841 1.00 0.00 H new ATOM 0 HA TRP A 88 13.062 -17.767 3.622 1.00 0.00 H new ATOM 0 HB2 TRP A 88 10.111 -17.781 4.250 1.00 0.00 H new ATOM 0 HB3 TRP A 88 10.906 -16.493 3.366 1.00 0.00 H new ATOM 0 HD1 TRP A 88 9.776 -20.140 2.939 1.00 0.00 H new ATOM 0 HE1 TRP A 88 9.880 -20.770 0.435 1.00 0.00 H new ATOM 0 HE3 TRP A 88 11.776 -15.821 1.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 10.589 -19.432 -2.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 12.320 -15.569 -1.245 1.00 0.00 H new ATOM 0 HH2 TRP A 88 11.733 -17.370 -2.845 1.00 0.00 H new ATOM 1387 N GLN A 89 13.735 -16.434 5.670 1.00 0.00 N ATOM 1388 CA GLN A 89 14.061 -15.406 6.644 1.00 0.00 C ATOM 1389 C GLN A 89 14.126 -14.066 5.927 1.00 0.00 C ATOM 1390 O GLN A 89 14.764 -13.938 4.878 1.00 0.00 O ATOM 1391 CB GLN A 89 15.375 -15.674 7.379 1.00 0.00 C ATOM 1392 CG GLN A 89 15.196 -16.727 8.476 1.00 0.00 C ATOM 1393 CD GLN A 89 15.840 -18.046 8.096 1.00 0.00 C ATOM 1394 OE1 GLN A 89 16.967 -18.343 8.474 1.00 0.00 O ATOM 1395 NE2 GLN A 89 15.136 -18.865 7.343 1.00 0.00 N ATOM 0 H GLN A 89 14.539 -16.799 5.160 1.00 0.00 H new ATOM 0 HA GLN A 89 13.281 -15.404 7.405 1.00 0.00 H new ATOM 0 HB2 GLN A 89 16.129 -16.011 6.668 1.00 0.00 H new ATOM 0 HB3 GLN A 89 15.743 -14.747 7.819 1.00 0.00 H new ATOM 0 HG2 GLN A 89 15.634 -16.363 9.405 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.133 -16.881 8.663 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.199 -18.600 7.038 1.00 0.00 H new ATOM 0 HE22 GLN A 89 15.527 -19.765 7.064 1.00 0.00 H new ATOM 1404 N LEU A 90 13.499 -13.053 6.517 1.00 0.00 N ATOM 1405 CA LEU A 90 13.508 -11.695 5.987 1.00 0.00 C ATOM 1406 C LEU A 90 14.616 -10.869 6.607 1.00 0.00 C ATOM 1407 O LEU A 90 15.208 -11.262 7.614 1.00 0.00 O ATOM 1408 CB LEU A 90 12.138 -11.046 6.232 1.00 0.00 C ATOM 1409 CG LEU A 90 11.293 -10.790 4.979 1.00 0.00 C ATOM 1410 CD1 LEU A 90 11.529 -9.482 4.236 1.00 0.00 C ATOM 1411 CD2 LEU A 90 11.359 -11.946 3.978 1.00 0.00 C ATOM 0 H LEU A 90 12.967 -13.153 7.382 1.00 0.00 H new ATOM 0 HA LEU A 90 13.700 -11.737 4.915 1.00 0.00 H new ATOM 0 HB2 LEU A 90 11.569 -11.685 6.908 1.00 0.00 H new ATOM 0 HB3 LEU A 90 12.292 -10.097 6.745 1.00 0.00 H new ATOM 0 HG LEU A 90 10.296 -10.706 5.411 1.00 0.00 H new ATOM 0 HD11 LEU A 90 10.867 -9.430 3.372 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.324 -8.643 4.901 1.00 0.00 H new ATOM 0 HD13 LEU A 90 12.566 -9.435 3.902 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.743 -11.711 3.110 1.00 0.00 H new ATOM 0 HD22 LEU A 90 12.391 -12.094 3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.990 -12.857 4.449 1.00 0.00 H new ATOM 1423 N SER A 91 14.898 -9.746 5.953 1.00 0.00 N ATOM 1424 CA SER A 91 15.960 -8.798 6.287 1.00 0.00 C ATOM 1425 C SER A 91 15.867 -7.554 5.416 1.00 0.00 C ATOM 1426 O SER A 91 15.137 -7.541 4.428 1.00 0.00 O ATOM 1427 CB SER A 91 17.350 -9.441 6.130 1.00 0.00 C ATOM 1428 OG SER A 91 17.721 -10.071 7.334 1.00 0.00 O ATOM 0 H SER A 91 14.365 -9.456 5.133 1.00 0.00 H new ATOM 0 HA SER A 91 15.827 -8.511 7.330 1.00 0.00 H new ATOM 0 HB2 SER A 91 17.335 -10.168 5.318 1.00 0.00 H new ATOM 0 HB3 SER A 91 18.085 -8.681 5.865 1.00 0.00 H new ATOM 0 HG SER A 91 16.966 -10.594 7.676 1.00 0.00 H new ATOM 1434 N VAL A 92 16.607 -6.511 5.794 1.00 0.00 N ATOM 1435 CA VAL A 92 16.666 -5.176 5.207 1.00 0.00 C ATOM 1436 C VAL A 92 18.132 -4.730 5.255 1.00 0.00 C ATOM 1437 O VAL A 92 18.888 -5.230 6.094 1.00 0.00 O ATOM 1438 CB VAL A 92 15.683 -4.262 5.975 1.00 0.00 C ATOM 1439 CG1 VAL A 92 15.817 -2.758 5.805 1.00 0.00 C ATOM 1440 CG2 VAL A 92 14.281 -4.511 5.428 1.00 0.00 C ATOM 0 H VAL A 92 17.237 -6.589 6.592 1.00 0.00 H new ATOM 0 HA VAL A 92 16.352 -5.139 4.164 1.00 0.00 H new ATOM 0 HB VAL A 92 15.893 -4.515 7.014 1.00 0.00 H new ATOM 0 HG11 VAL A 92 15.059 -2.255 6.405 1.00 0.00 H new ATOM 0 HG12 VAL A 92 16.808 -2.442 6.132 1.00 0.00 H new ATOM 0 HG13 VAL A 92 15.681 -2.497 4.756 1.00 0.00 H new ATOM 0 HG21 VAL A 92 13.567 -3.877 5.954 1.00 0.00 H new ATOM 0 HG22 VAL A 92 14.259 -4.277 4.364 1.00 0.00 H new ATOM 0 HG23 VAL A 92 14.014 -5.558 5.575 1.00 0.00 H new ATOM 1450 N ALA A 93 18.542 -3.857 4.330 1.00 0.00 N ATOM 1451 CA ALA A 93 19.898 -3.303 4.312 1.00 0.00 C ATOM 1452 C ALA A 93 20.060 -2.267 5.434 1.00 0.00 C ATOM 1453 O ALA A 93 19.116 -1.980 6.177 1.00 0.00 O ATOM 1454 CB ALA A 93 20.212 -2.684 2.943 1.00 0.00 C ATOM 0 H ALA A 93 17.946 -3.516 3.576 1.00 0.00 H new ATOM 0 HA ALA A 93 20.609 -4.111 4.484 1.00 0.00 H new ATOM 0 HB1 ALA A 93 21.224 -2.278 2.951 1.00 0.00 H new ATOM 0 HB2 ALA A 93 20.134 -3.450 2.171 1.00 0.00 H new ATOM 0 HB3 ALA A 93 19.502 -1.884 2.734 1.00 0.00 H new