USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 598 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 MET CE :methyl 148:sc= -1.91! (180deg=-0.293) USER MOD Set 1.2: A 79 GLN : amide:sc= -2.57! K(o=-4.5!,f=-0.13) USER MOD Single : A 23 THR OG1 : rot -47:sc= 1.15 USER MOD Single : A 27 GLN : amide:sc= -0.0196 X(o=-0.02,f=-0.4) USER MOD Single : A 28 CYS SG : rot 105:sc= 0.87 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -145:sc= -0.659 (180deg=-2.37!) USER MOD Single : A 34 ASN : amide:sc= -0.202 K(o=-0.2,f=-1.7) 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+ -107:sc=-0.00612 (180deg=-0.402) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) 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 -126:sc= -2.21 (180deg=-2.4) 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 2:sc= -4.02! USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : A 74 SER OG : rot -80:sc= 1.21 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0829 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.0232 X(o=-0.023,f=0) USER MOD Single : A 85 SER OG : rot -151:sc= 1.22 USER MOD Single : A 89 GLN : amide:sc= -2.32! K(o=-2.3!,f=0) USER MOD Single : A 91 SER OG : rot 41:sc= 0.762 USER MOD ----------------------------------------------------------------- ATOM 270 N GLY A 20 13.895 7.435 1.930 1.00 0.00 N ATOM 271 CA GLY A 20 13.790 7.577 0.502 1.00 0.00 C ATOM 272 C GLY A 20 13.411 6.233 -0.068 1.00 0.00 C ATOM 273 O GLY A 20 12.227 5.890 -0.155 1.00 0.00 O ATOM 0 HA2 GLY A 20 13.040 8.326 0.247 1.00 0.00 H new ATOM 0 HA3 GLY A 20 14.736 7.917 0.081 1.00 0.00 H new ATOM 277 N PHE A 21 14.442 5.468 -0.383 1.00 0.00 N ATOM 278 CA PHE A 21 14.393 4.099 -0.877 1.00 0.00 C ATOM 279 C PHE A 21 15.549 3.329 -0.249 1.00 0.00 C ATOM 280 O PHE A 21 16.580 3.931 0.056 1.00 0.00 O ATOM 281 CB PHE A 21 14.526 4.051 -2.407 1.00 0.00 C ATOM 282 CG PHE A 21 13.278 3.649 -3.179 1.00 0.00 C ATOM 283 CD1 PHE A 21 12.115 4.441 -3.158 1.00 0.00 C ATOM 284 CD2 PHE A 21 13.282 2.469 -3.947 1.00 0.00 C ATOM 285 CE1 PHE A 21 10.953 4.008 -3.826 1.00 0.00 C ATOM 286 CE2 PHE A 21 12.122 2.034 -4.601 1.00 0.00 C ATOM 287 CZ PHE A 21 10.949 2.798 -4.532 1.00 0.00 C ATOM 0 H PHE A 21 15.400 5.808 -0.295 1.00 0.00 H new ATOM 0 HA PHE A 21 13.433 3.658 -0.610 1.00 0.00 H new ATOM 0 HB2 PHE A 21 14.841 5.035 -2.754 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.324 3.353 -2.659 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.113 5.382 -2.629 1.00 0.00 H new ATOM 0 HD2 PHE A 21 14.191 1.892 -4.033 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.059 4.613 -3.794 1.00 0.00 H new ATOM 0 HE2 PHE A 21 12.132 1.109 -5.159 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.048 2.456 -5.020 1.00 0.00 H new ATOM 297 N VAL A 22 15.408 2.012 -0.104 1.00 0.00 N ATOM 298 CA VAL A 22 16.396 1.170 0.551 1.00 0.00 C ATOM 299 C VAL A 22 16.302 -0.237 -0.011 1.00 0.00 C ATOM 300 O VAL A 22 15.204 -0.683 -0.341 1.00 0.00 O ATOM 301 CB VAL A 22 16.126 1.216 2.067 1.00 0.00 C ATOM 302 CG1 VAL A 22 14.863 0.477 2.527 1.00 0.00 C ATOM 303 CG2 VAL A 22 17.330 0.766 2.902 1.00 0.00 C ATOM 0 H VAL A 22 14.594 1.499 -0.443 1.00 0.00 H new ATOM 0 HA VAL A 22 17.412 1.522 0.370 1.00 0.00 H new ATOM 0 HB VAL A 22 15.945 2.275 2.250 1.00 0.00 H new ATOM 0 HG11 VAL A 22 14.762 0.568 3.608 1.00 0.00 H new ATOM 0 HG12 VAL A 22 13.989 0.913 2.043 1.00 0.00 H new ATOM 0 HG13 VAL A 22 14.939 -0.576 2.257 1.00 0.00 H new ATOM 0 HG21 VAL A 22 17.079 0.820 3.961 1.00 0.00 H new ATOM 0 HG22 VAL A 22 17.589 -0.260 2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 22 18.179 1.418 2.697 1.00 0.00 H new ATOM 313 N THR A 23 17.417 -0.947 -0.106 1.00 0.00 N ATOM 314 CA THR A 23 17.413 -2.363 -0.435 1.00 0.00 C ATOM 315 C THR A 23 16.853 -3.185 0.744 1.00 0.00 C ATOM 316 O THR A 23 17.136 -2.890 1.908 1.00 0.00 O ATOM 317 CB THR A 23 18.834 -2.777 -0.830 1.00 0.00 C ATOM 318 OG1 THR A 23 19.425 -1.843 -1.724 1.00 0.00 O ATOM 319 CG2 THR A 23 18.917 -4.151 -1.488 1.00 0.00 C ATOM 0 H THR A 23 18.348 -0.557 0.043 1.00 0.00 H new ATOM 0 HA THR A 23 16.757 -2.561 -1.283 1.00 0.00 H new ATOM 0 HB THR A 23 19.374 -2.808 0.116 1.00 0.00 H new ATOM 0 HG1 THR A 23 18.793 -1.633 -2.443 1.00 0.00 H new ATOM 0 HG21 THR A 23 19.954 -4.372 -1.738 1.00 0.00 H new ATOM 0 HG22 THR A 23 18.540 -4.907 -0.799 1.00 0.00 H new ATOM 0 HG23 THR A 23 18.315 -4.156 -2.397 1.00 0.00 H new ATOM 327 N MET A 24 16.077 -4.237 0.459 1.00 0.00 N ATOM 328 CA MET A 24 15.796 -5.336 1.366 1.00 0.00 C ATOM 329 C MET A 24 16.511 -6.564 0.845 1.00 0.00 C ATOM 330 O MET A 24 16.792 -6.694 -0.349 1.00 0.00 O ATOM 331 CB MET A 24 14.298 -5.645 1.542 1.00 0.00 C ATOM 332 CG MET A 24 13.483 -4.382 1.785 1.00 0.00 C ATOM 333 SD MET A 24 11.699 -4.606 2.015 1.00 0.00 S ATOM 334 CE MET A 24 11.708 -5.484 3.593 1.00 0.00 C ATOM 0 H MET A 24 15.615 -4.342 -0.444 1.00 0.00 H new ATOM 0 HA MET A 24 16.151 -5.041 2.353 1.00 0.00 H new ATOM 0 HB2 MET A 24 13.925 -6.152 0.652 1.00 0.00 H new ATOM 0 HB3 MET A 24 14.164 -6.330 2.379 1.00 0.00 H new ATOM 0 HG2 MET A 24 13.881 -3.883 2.668 1.00 0.00 H new ATOM 0 HG3 MET A 24 13.637 -3.709 0.942 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.814 -5.224 4.159 1.00 0.00 H new ATOM 0 HE2 MET A 24 11.722 -6.559 3.411 1.00 0.00 H new ATOM 0 HE3 MET A 24 12.593 -5.200 4.162 1.00 0.00 H new ATOM 344 N ILE A 25 16.761 -7.474 1.770 1.00 0.00 N ATOM 345 CA ILE A 25 17.620 -8.636 1.596 1.00 0.00 C ATOM 346 C ILE A 25 16.712 -9.836 1.842 1.00 0.00 C ATOM 347 O ILE A 25 16.130 -9.946 2.930 1.00 0.00 O ATOM 348 CB ILE A 25 18.806 -8.599 2.596 1.00 0.00 C ATOM 349 CG1 ILE A 25 19.542 -7.242 2.685 1.00 0.00 C ATOM 350 CG2 ILE A 25 19.783 -9.779 2.402 1.00 0.00 C ATOM 351 CD1 ILE A 25 20.187 -6.738 1.392 1.00 0.00 C ATOM 0 H ILE A 25 16.354 -7.423 2.704 1.00 0.00 H new ATOM 0 HA ILE A 25 18.071 -8.674 0.605 1.00 0.00 H new ATOM 0 HB ILE A 25 18.335 -8.722 3.571 1.00 0.00 H new ATOM 0 HG12 ILE A 25 18.833 -6.490 3.030 1.00 0.00 H new ATOM 0 HG13 ILE A 25 20.318 -7.322 3.446 1.00 0.00 H new ATOM 0 HG21 ILE A 25 20.593 -9.704 3.127 1.00 0.00 H new ATOM 0 HG22 ILE A 25 19.251 -10.719 2.548 1.00 0.00 H new ATOM 0 HG23 ILE A 25 20.195 -9.748 1.393 1.00 0.00 H new ATOM 0 HD11 ILE A 25 20.672 -5.780 1.577 1.00 0.00 H new ATOM 0 HD12 ILE A 25 20.928 -7.460 1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 25 19.420 -6.615 0.627 1.00 0.00 H new ATOM 363 N LEU A 26 16.583 -10.713 0.845 1.00 0.00 N ATOM 364 CA LEU A 26 15.615 -11.797 0.857 1.00 0.00 C ATOM 365 C LEU A 26 16.343 -13.124 0.704 1.00 0.00 C ATOM 366 O LEU A 26 16.945 -13.366 -0.346 1.00 0.00 O ATOM 367 CB LEU A 26 14.594 -11.598 -0.288 1.00 0.00 C ATOM 368 CG LEU A 26 13.138 -11.805 0.142 1.00 0.00 C ATOM 369 CD1 LEU A 26 12.937 -13.076 0.939 1.00 0.00 C ATOM 370 CD2 LEU A 26 12.659 -10.553 0.879 1.00 0.00 C ATOM 0 H LEU A 26 17.156 -10.686 0.001 1.00 0.00 H new ATOM 0 HA LEU A 26 15.075 -11.799 1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.705 -10.591 -0.691 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.827 -12.292 -1.096 1.00 0.00 H new ATOM 0 HG LEU A 26 12.522 -11.944 -0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.887 -13.170 1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.231 -13.934 0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.548 -13.041 1.841 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.623 -10.688 1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.283 -10.387 1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.729 -9.691 0.215 1.00 0.00 H new ATOM 382 N GLN A 27 16.237 -14.024 1.682 1.00 0.00 N ATOM 383 CA GLN A 27 16.920 -15.314 1.651 1.00 0.00 C ATOM 384 C GLN A 27 15.936 -16.465 1.783 1.00 0.00 C ATOM 385 O GLN A 27 14.874 -16.321 2.390 1.00 0.00 O ATOM 386 CB GLN A 27 17.926 -15.386 2.798 1.00 0.00 C ATOM 387 CG GLN A 27 19.065 -14.378 2.664 1.00 0.00 C ATOM 388 CD GLN A 27 20.017 -14.689 1.512 1.00 0.00 C ATOM 389 OE1 GLN A 27 20.029 -14.040 0.477 1.00 0.00 O ATOM 390 NE2 GLN A 27 20.913 -15.633 1.710 1.00 0.00 N ATOM 0 H GLN A 27 15.673 -13.877 2.519 1.00 0.00 H new ATOM 0 HA GLN A 27 17.430 -15.402 0.692 1.00 0.00 H new ATOM 0 HB2 GLN A 27 17.406 -15.213 3.740 1.00 0.00 H new ATOM 0 HB3 GLN A 27 18.343 -16.392 2.844 1.00 0.00 H new ATOM 0 HG2 GLN A 27 18.644 -13.383 2.520 1.00 0.00 H new ATOM 0 HG3 GLN A 27 19.630 -14.353 3.596 1.00 0.00 H new ATOM 0 HE21 GLN A 27 20.901 -16.174 2.575 1.00 0.00 H new ATOM 0 HE22 GLN A 27 21.619 -15.824 0.999 1.00 0.00 H new ATOM 399 N CYS A 28 16.348 -17.620 1.260 1.00 0.00 N ATOM 400 CA CYS A 28 15.665 -18.899 1.438 1.00 0.00 C ATOM 401 C CYS A 28 16.693 -19.981 1.803 1.00 0.00 C ATOM 402 O CYS A 28 17.908 -19.761 1.734 1.00 0.00 O ATOM 403 CB CYS A 28 14.890 -19.258 0.153 1.00 0.00 C ATOM 404 SG CYS A 28 13.647 -20.545 0.414 1.00 0.00 S ATOM 0 H CYS A 28 17.188 -17.692 0.686 1.00 0.00 H new ATOM 0 HA CYS A 28 14.944 -18.829 2.253 1.00 0.00 H new ATOM 0 HB2 CYS A 28 14.403 -18.363 -0.233 1.00 0.00 H new ATOM 0 HB3 CYS A 28 15.595 -19.591 -0.609 1.00 0.00 H new ATOM 0 HG CYS A 28 12.462 -20.010 0.417 1.00 0.00 H new ATOM 410 N SER A 29 16.201 -21.163 2.164 1.00 0.00 N ATOM 411 CA SER A 29 16.973 -22.377 2.406 1.00 0.00 C ATOM 412 C SER A 29 17.107 -23.265 1.148 1.00 0.00 C ATOM 413 O SER A 29 17.503 -24.427 1.290 1.00 0.00 O ATOM 414 CB SER A 29 16.308 -23.136 3.575 1.00 0.00 C ATOM 415 OG SER A 29 17.113 -23.117 4.732 1.00 0.00 O ATOM 0 H SER A 29 15.201 -21.307 2.303 1.00 0.00 H new ATOM 0 HA SER A 29 17.995 -22.103 2.667 1.00 0.00 H new ATOM 0 HB2 SER A 29 15.340 -22.687 3.797 1.00 0.00 H new ATOM 0 HB3 SER A 29 16.120 -24.168 3.279 1.00 0.00 H new ATOM 0 HG SER A 29 16.662 -23.605 5.453 1.00 0.00 H new ATOM 421 N ILE A 30 16.753 -22.809 -0.063 1.00 0.00 N ATOM 422 CA ILE A 30 16.828 -23.605 -1.292 1.00 0.00 C ATOM 423 C ILE A 30 17.111 -22.671 -2.475 1.00 0.00 C ATOM 424 O ILE A 30 16.981 -21.454 -2.342 1.00 0.00 O ATOM 425 CB ILE A 30 15.536 -24.436 -1.545 1.00 0.00 C ATOM 426 CG1 ILE A 30 14.312 -23.534 -1.790 1.00 0.00 C ATOM 427 CG2 ILE A 30 15.247 -25.471 -0.445 1.00 0.00 C ATOM 428 CD1 ILE A 30 13.084 -24.269 -2.319 1.00 0.00 C ATOM 0 H ILE A 30 16.402 -21.864 -0.216 1.00 0.00 H new ATOM 0 HA ILE A 30 17.639 -24.325 -1.181 1.00 0.00 H new ATOM 0 HB ILE A 30 15.730 -25.002 -2.456 1.00 0.00 H new ATOM 0 HG12 ILE A 30 14.049 -23.037 -0.856 1.00 0.00 H new ATOM 0 HG13 ILE A 30 14.587 -22.754 -2.499 1.00 0.00 H new ATOM 0 HG21 ILE A 30 14.333 -26.013 -0.687 1.00 0.00 H new ATOM 0 HG22 ILE A 30 16.078 -26.173 -0.378 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.125 -24.962 0.511 1.00 0.00 H new ATOM 0 HD11 ILE A 30 12.269 -23.559 -2.463 1.00 0.00 H new ATOM 0 HD12 ILE A 30 13.325 -24.743 -3.271 1.00 0.00 H new ATOM 0 HD13 ILE A 30 12.779 -25.031 -1.602 1.00 0.00 H new ATOM 440 N GLU A 31 17.430 -23.243 -3.635 1.00 0.00 N ATOM 441 CA GLU A 31 17.599 -22.581 -4.924 1.00 0.00 C ATOM 442 C GLU A 31 16.299 -21.921 -5.387 1.00 0.00 C ATOM 443 O GLU A 31 15.201 -22.455 -5.193 1.00 0.00 O ATOM 444 CB GLU A 31 18.054 -23.622 -5.976 1.00 0.00 C ATOM 445 CG GLU A 31 19.492 -23.413 -6.470 1.00 0.00 C ATOM 446 CD GLU A 31 19.890 -24.415 -7.570 1.00 0.00 C ATOM 447 OE1 GLU A 31 19.035 -24.766 -8.423 1.00 0.00 O ATOM 448 OE2 GLU A 31 21.078 -24.792 -7.666 1.00 0.00 O ATOM 0 H GLU A 31 17.587 -24.249 -3.702 1.00 0.00 H new ATOM 0 HA GLU A 31 18.353 -21.802 -4.813 1.00 0.00 H new ATOM 0 HB2 GLU A 31 17.968 -24.620 -5.547 1.00 0.00 H new ATOM 0 HB3 GLU A 31 17.377 -23.583 -6.829 1.00 0.00 H new ATOM 0 HG2 GLU A 31 19.597 -22.398 -6.853 1.00 0.00 H new ATOM 0 HG3 GLU A 31 20.179 -23.510 -5.629 1.00 0.00 H new ATOM 455 N MET A 32 16.427 -20.787 -6.071 1.00 0.00 N ATOM 456 CA MET A 32 15.364 -20.116 -6.802 1.00 0.00 C ATOM 457 C MET A 32 15.623 -20.284 -8.306 1.00 0.00 C ATOM 458 O MET A 32 16.279 -19.434 -8.918 1.00 0.00 O ATOM 459 CB MET A 32 15.222 -18.628 -6.455 1.00 0.00 C ATOM 460 CG MET A 32 14.233 -18.258 -5.356 1.00 0.00 C ATOM 461 SD MET A 32 13.749 -16.520 -5.447 1.00 0.00 S ATOM 462 CE MET A 32 15.210 -15.851 -4.616 1.00 0.00 C ATOM 0 H MET A 32 17.316 -20.291 -6.131 1.00 0.00 H new ATOM 0 HA MET A 32 14.423 -20.581 -6.510 1.00 0.00 H new ATOM 0 HB2 MET A 32 16.204 -18.254 -6.165 1.00 0.00 H new ATOM 0 HB3 MET A 32 14.933 -18.096 -7.362 1.00 0.00 H new ATOM 0 HG2 MET A 32 13.347 -18.887 -5.438 1.00 0.00 H new ATOM 0 HG3 MET A 32 14.679 -18.461 -4.382 1.00 0.00 H new ATOM 0 HE1 MET A 32 14.924 -14.987 -4.017 1.00 0.00 H new ATOM 0 HE2 MET A 32 15.642 -16.614 -3.969 1.00 0.00 H new ATOM 0 HE3 MET A 32 15.946 -15.549 -5.361 1.00 0.00 H new ATOM 472 N PRO A 33 15.171 -21.377 -8.942 1.00 0.00 N ATOM 473 CA PRO A 33 15.219 -21.486 -10.396 1.00 0.00 C ATOM 474 C PRO A 33 14.343 -20.446 -11.109 1.00 0.00 C ATOM 475 O PRO A 33 14.503 -20.250 -12.314 1.00 0.00 O ATOM 476 CB PRO A 33 14.749 -22.905 -10.715 1.00 0.00 C ATOM 477 CG PRO A 33 13.824 -23.237 -9.545 1.00 0.00 C ATOM 478 CD PRO A 33 14.483 -22.524 -8.369 1.00 0.00 C ATOM 0 HA PRO A 33 16.229 -21.290 -10.755 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.224 -22.950 -11.669 1.00 0.00 H new ATOM 0 HB3 PRO A 33 15.585 -23.602 -10.778 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.810 -22.876 -9.718 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.756 -24.312 -9.378 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.741 -22.209 -7.636 1.00 0.00 H new ATOM 0 HD3 PRO A 33 15.182 -23.183 -7.853 1.00 0.00 H new ATOM 486 N ASN A 34 13.436 -19.765 -10.404 1.00 0.00 N ATOM 487 CA ASN A 34 12.633 -18.679 -10.942 1.00 0.00 C ATOM 488 C ASN A 34 12.466 -17.595 -9.901 1.00 0.00 C ATOM 489 O ASN A 34 12.472 -17.866 -8.703 1.00 0.00 O ATOM 490 CB ASN A 34 11.263 -19.167 -11.425 1.00 0.00 C ATOM 491 CG ASN A 34 10.463 -19.879 -10.350 1.00 0.00 C ATOM 492 OD1 ASN A 34 9.883 -19.256 -9.467 1.00 0.00 O ATOM 493 ND2 ASN A 34 10.431 -21.197 -10.407 1.00 0.00 N ATOM 0 H ASN A 34 13.240 -19.962 -9.423 1.00 0.00 H new ATOM 0 HA ASN A 34 13.159 -18.274 -11.806 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.690 -18.314 -11.789 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.403 -19.841 -12.270 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.914 -21.725 -9.704 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.923 -21.687 -11.154 1.00 0.00 H new ATOM 500 N ILE A 35 12.320 -16.367 -10.394 1.00 0.00 N ATOM 501 CA ILE A 35 12.133 -15.159 -9.595 1.00 0.00 C ATOM 502 C ILE A 35 10.750 -15.190 -8.909 1.00 0.00 C ATOM 503 O ILE A 35 10.557 -14.627 -7.834 1.00 0.00 O ATOM 504 CB ILE A 35 12.392 -13.939 -10.526 1.00 0.00 C ATOM 505 CG1 ILE A 35 12.848 -12.700 -9.734 1.00 0.00 C ATOM 506 CG2 ILE A 35 11.209 -13.604 -11.453 1.00 0.00 C ATOM 507 CD1 ILE A 35 13.630 -11.674 -10.568 1.00 0.00 C ATOM 0 H ILE A 35 12.329 -16.180 -11.397 1.00 0.00 H new ATOM 0 HA ILE A 35 12.841 -15.084 -8.770 1.00 0.00 H new ATOM 0 HB ILE A 35 13.209 -14.244 -11.180 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.972 -12.213 -9.307 1.00 0.00 H new ATOM 0 HG13 ILE A 35 13.470 -13.024 -8.900 1.00 0.00 H new ATOM 0 HG21 ILE A 35 11.464 -12.743 -12.071 1.00 0.00 H new ATOM 0 HG22 ILE A 35 10.995 -14.460 -12.093 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.330 -13.371 -10.852 1.00 0.00 H new ATOM 0 HD11 ILE A 35 13.914 -10.832 -9.936 1.00 0.00 H new ATOM 0 HD12 ILE A 35 14.527 -12.142 -10.974 1.00 0.00 H new ATOM 0 HD13 ILE A 35 13.005 -11.318 -11.387 1.00 0.00 H new ATOM 519 N SER A 36 9.780 -15.906 -9.491 1.00 0.00 N ATOM 520 CA SER A 36 8.440 -16.053 -8.936 1.00 0.00 C ATOM 521 C SER A 36 8.408 -16.666 -7.533 1.00 0.00 C ATOM 522 O SER A 36 7.435 -16.436 -6.825 1.00 0.00 O ATOM 523 CB SER A 36 7.567 -16.880 -9.878 1.00 0.00 C ATOM 524 OG SER A 36 7.214 -16.115 -11.015 1.00 0.00 O ATOM 0 H SER A 36 9.911 -16.404 -10.372 1.00 0.00 H new ATOM 0 HA SER A 36 8.047 -15.041 -8.838 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.102 -17.778 -10.187 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.667 -17.208 -9.358 1.00 0.00 H new ATOM 0 HG SER A 36 6.656 -16.655 -11.613 1.00 0.00 H new ATOM 530 N TYR A 37 9.437 -17.399 -7.104 1.00 0.00 N ATOM 531 CA TYR A 37 9.527 -17.943 -5.753 1.00 0.00 C ATOM 532 C TYR A 37 9.441 -16.835 -4.695 1.00 0.00 C ATOM 533 O TYR A 37 8.555 -16.884 -3.841 1.00 0.00 O ATOM 534 CB TYR A 37 10.823 -18.749 -5.624 1.00 0.00 C ATOM 535 CG TYR A 37 10.660 -20.244 -5.791 1.00 0.00 C ATOM 536 CD1 TYR A 37 10.035 -20.996 -4.778 1.00 0.00 C ATOM 537 CD2 TYR A 37 11.143 -20.882 -6.948 1.00 0.00 C ATOM 538 CE1 TYR A 37 9.892 -22.385 -4.917 1.00 0.00 C ATOM 539 CE2 TYR A 37 10.995 -22.272 -7.099 1.00 0.00 C ATOM 540 CZ TYR A 37 10.370 -23.025 -6.081 1.00 0.00 C ATOM 541 OH TYR A 37 10.245 -24.368 -6.224 1.00 0.00 O ATOM 0 H TYR A 37 10.237 -17.632 -7.692 1.00 0.00 H new ATOM 0 HA TYR A 37 8.679 -18.605 -5.576 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.533 -18.390 -6.369 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.261 -18.553 -4.645 1.00 0.00 H new ATOM 0 HD1 TYR A 37 9.665 -20.502 -3.892 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.628 -20.304 -7.721 1.00 0.00 H new ATOM 0 HE1 TYR A 37 9.418 -22.962 -4.137 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.358 -22.762 -7.990 1.00 0.00 H new ATOM 0 HH TYR A 37 10.626 -24.642 -7.084 1.00 0.00 H new ATOM 551 N ALA A 38 10.330 -15.832 -4.739 1.00 0.00 N ATOM 552 CA ALA A 38 10.324 -14.790 -3.711 1.00 0.00 C ATOM 553 C ALA A 38 9.076 -13.928 -3.830 1.00 0.00 C ATOM 554 O ALA A 38 8.527 -13.525 -2.807 1.00 0.00 O ATOM 555 CB ALA A 38 11.568 -13.906 -3.781 1.00 0.00 C ATOM 0 H ALA A 38 11.045 -15.723 -5.458 1.00 0.00 H new ATOM 0 HA ALA A 38 10.326 -15.296 -2.746 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.520 -13.148 -3.000 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.458 -14.519 -3.638 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.615 -13.420 -4.756 1.00 0.00 H new ATOM 561 N TRP A 39 8.624 -13.670 -5.064 1.00 0.00 N ATOM 562 CA TRP A 39 7.363 -12.987 -5.297 1.00 0.00 C ATOM 563 C TRP A 39 6.240 -13.714 -4.571 1.00 0.00 C ATOM 564 O TRP A 39 5.502 -13.066 -3.843 1.00 0.00 O ATOM 565 CB TRP A 39 7.056 -12.874 -6.793 1.00 0.00 C ATOM 566 CG TRP A 39 7.814 -11.815 -7.528 1.00 0.00 C ATOM 567 CD1 TRP A 39 8.683 -12.005 -8.545 1.00 0.00 C ATOM 568 CD2 TRP A 39 7.754 -10.377 -7.319 1.00 0.00 C ATOM 569 NE1 TRP A 39 9.121 -10.784 -9.013 1.00 0.00 N ATOM 570 CE2 TRP A 39 8.585 -9.744 -8.287 1.00 0.00 C ATOM 571 CE3 TRP A 39 7.093 -9.549 -6.389 1.00 0.00 C ATOM 572 CZ2 TRP A 39 8.746 -8.351 -8.341 1.00 0.00 C ATOM 573 CZ3 TRP A 39 7.226 -8.152 -6.450 1.00 0.00 C ATOM 574 CH2 TRP A 39 8.038 -7.552 -7.431 1.00 0.00 C ATOM 0 H TRP A 39 9.123 -13.929 -5.915 1.00 0.00 H new ATOM 0 HA TRP A 39 7.445 -11.974 -4.903 1.00 0.00 H new ATOM 0 HB2 TRP A 39 7.263 -13.836 -7.262 1.00 0.00 H new ATOM 0 HB3 TRP A 39 5.990 -12.683 -6.914 1.00 0.00 H new ATOM 0 HD1 TRP A 39 8.988 -12.966 -8.932 1.00 0.00 H new ATOM 0 HE1 TRP A 39 9.761 -10.666 -9.798 1.00 0.00 H new ATOM 0 HE3 TRP A 39 6.477 -9.994 -5.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.404 -7.902 -9.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 6.701 -7.533 -5.738 1.00 0.00 H new ATOM 0 HH2 TRP A 39 8.116 -6.476 -7.483 1.00 0.00 H new ATOM 585 N LYS A 40 6.104 -15.028 -4.753 1.00 0.00 N ATOM 586 CA LYS A 40 5.034 -15.819 -4.157 1.00 0.00 C ATOM 587 C LYS A 40 5.034 -15.731 -2.639 1.00 0.00 C ATOM 588 O LYS A 40 3.985 -15.465 -2.061 1.00 0.00 O ATOM 589 CB LYS A 40 5.153 -17.269 -4.603 1.00 0.00 C ATOM 590 CG LYS A 40 4.391 -17.438 -5.921 1.00 0.00 C ATOM 591 CD LYS A 40 4.752 -18.740 -6.629 1.00 0.00 C ATOM 592 CE LYS A 40 4.808 -19.957 -5.697 1.00 0.00 C ATOM 593 NZ LYS A 40 3.577 -20.129 -4.893 1.00 0.00 N ATOM 0 H LYS A 40 6.744 -15.577 -5.327 1.00 0.00 H new ATOM 0 HA LYS A 40 4.086 -15.407 -4.503 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.201 -17.540 -4.734 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.745 -17.934 -3.842 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.319 -17.418 -5.725 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.611 -16.596 -6.577 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.021 -18.930 -7.415 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.720 -18.622 -7.115 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.975 -20.855 -6.292 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.661 -19.855 -5.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.768 -19.867 -3.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.826 -19.519 -5.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.271 -21.122 -4.935 1.00 0.00 H new ATOM 607 N GLU A 41 6.186 -15.941 -2.003 1.00 0.00 N ATOM 608 CA GLU A 41 6.305 -15.876 -0.550 1.00 0.00 C ATOM 609 C GLU A 41 5.938 -14.473 -0.063 1.00 0.00 C ATOM 610 O GLU A 41 5.157 -14.312 0.874 1.00 0.00 O ATOM 611 CB GLU A 41 7.751 -16.196 -0.152 1.00 0.00 C ATOM 612 CG GLU A 41 7.874 -16.756 1.270 1.00 0.00 C ATOM 613 CD GLU A 41 7.414 -18.209 1.465 1.00 0.00 C ATOM 614 OE1 GLU A 41 7.286 -18.980 0.479 1.00 0.00 O ATOM 615 OE2 GLU A 41 7.203 -18.602 2.642 1.00 0.00 O ATOM 0 H GLU A 41 7.060 -16.160 -2.481 1.00 0.00 H new ATOM 0 HA GLU A 41 5.628 -16.599 -0.095 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.164 -16.917 -0.857 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.353 -15.291 -0.233 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.917 -16.681 1.579 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.296 -16.120 1.941 1.00 0.00 H new ATOM 622 N LEU A 42 6.479 -13.430 -0.706 1.00 0.00 N ATOM 623 CA LEU A 42 6.151 -12.064 -0.335 1.00 0.00 C ATOM 624 C LEU A 42 4.659 -11.770 -0.530 1.00 0.00 C ATOM 625 O LEU A 42 4.053 -11.097 0.303 1.00 0.00 O ATOM 626 CB LEU A 42 7.029 -11.070 -1.115 1.00 0.00 C ATOM 627 CG LEU A 42 8.456 -11.006 -0.534 1.00 0.00 C ATOM 628 CD1 LEU A 42 9.429 -10.358 -1.523 1.00 0.00 C ATOM 629 CD2 LEU A 42 8.453 -10.179 0.757 1.00 0.00 C ATOM 0 H LEU A 42 7.140 -13.513 -1.479 1.00 0.00 H new ATOM 0 HA LEU A 42 6.362 -11.942 0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.074 -11.366 -2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.576 -10.079 -1.083 1.00 0.00 H new ATOM 0 HG LEU A 42 8.780 -12.027 -0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.427 -10.327 -1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.455 -10.942 -2.443 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.099 -9.343 -1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.463 -10.136 1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.106 -9.169 0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.788 -10.643 1.485 1.00 0.00 H new ATOM 641 N LYS A 43 4.061 -12.267 -1.612 1.00 0.00 N ATOM 642 CA LYS A 43 2.641 -12.123 -1.922 1.00 0.00 C ATOM 643 C LYS A 43 1.763 -12.933 -0.965 1.00 0.00 C ATOM 644 O LYS A 43 0.593 -12.580 -0.786 1.00 0.00 O ATOM 645 CB LYS A 43 2.395 -12.552 -3.379 1.00 0.00 C ATOM 646 CG LYS A 43 2.868 -11.480 -4.377 1.00 0.00 C ATOM 647 CD LYS A 43 2.650 -11.915 -5.831 1.00 0.00 C ATOM 648 CE LYS A 43 2.895 -10.723 -6.770 1.00 0.00 C ATOM 649 NZ LYS A 43 2.203 -10.858 -8.067 1.00 0.00 N ATOM 0 H LYS A 43 4.569 -12.798 -2.319 1.00 0.00 H new ATOM 0 HA LYS A 43 2.365 -11.076 -1.796 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.918 -13.488 -3.576 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.332 -12.743 -3.527 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.331 -10.550 -4.192 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.926 -11.275 -4.214 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.326 -12.733 -6.081 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.635 -12.290 -5.960 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.562 -9.808 -6.281 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.966 -10.620 -6.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.405 -10.026 -8.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.538 -11.715 -8.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.178 -10.928 -7.908 1.00 0.00 H new ATOM 663 N GLU A 44 2.289 -13.990 -0.353 1.00 0.00 N ATOM 664 CA GLU A 44 1.680 -14.702 0.759 1.00 0.00 C ATOM 665 C GLU A 44 1.681 -13.756 1.966 1.00 0.00 C ATOM 666 O GLU A 44 0.615 -13.357 2.438 1.00 0.00 O ATOM 667 CB GLU A 44 2.429 -16.033 1.022 1.00 0.00 C ATOM 668 CG GLU A 44 1.623 -17.276 0.600 1.00 0.00 C ATOM 669 CD GLU A 44 2.195 -18.577 1.177 1.00 0.00 C ATOM 670 OE1 GLU A 44 3.439 -18.713 1.228 1.00 0.00 O ATOM 671 OE2 GLU A 44 1.420 -19.495 1.547 1.00 0.00 O ATOM 0 H GLU A 44 3.186 -14.387 -0.631 1.00 0.00 H new ATOM 0 HA GLU A 44 0.650 -14.985 0.540 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.376 -16.022 0.483 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.667 -16.105 2.083 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.589 -17.162 0.927 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.608 -17.342 -0.488 1.00 0.00 H new ATOM 678 N GLN A 45 2.857 -13.352 2.451 1.00 0.00 N ATOM 679 CA GLN A 45 3.000 -12.739 3.768 1.00 0.00 C ATOM 680 C GLN A 45 2.459 -11.301 3.804 1.00 0.00 C ATOM 681 O GLN A 45 1.893 -10.879 4.810 1.00 0.00 O ATOM 682 CB GLN A 45 4.486 -12.783 4.169 1.00 0.00 C ATOM 683 CG GLN A 45 5.054 -14.212 4.313 1.00 0.00 C ATOM 684 CD GLN A 45 4.591 -14.921 5.576 1.00 0.00 C ATOM 685 OE1 GLN A 45 3.617 -15.662 5.579 1.00 0.00 O ATOM 686 NE2 GLN A 45 5.288 -14.726 6.681 1.00 0.00 N ATOM 0 H GLN A 45 3.735 -13.442 1.940 1.00 0.00 H new ATOM 0 HA GLN A 45 2.403 -13.303 4.484 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.070 -12.244 3.422 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.613 -12.255 5.114 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.759 -14.802 3.445 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.143 -14.164 4.310 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.099 -14.107 6.670 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.016 -15.195 7.545 1.00 0.00 H new ATOM 695 N LEU A 46 2.625 -10.530 2.722 1.00 0.00 N ATOM 696 CA LEU A 46 2.351 -9.088 2.698 1.00 0.00 C ATOM 697 C LEU A 46 1.112 -8.728 1.871 1.00 0.00 C ATOM 698 O LEU A 46 0.677 -7.571 1.896 1.00 0.00 O ATOM 699 CB LEU A 46 3.557 -8.346 2.109 1.00 0.00 C ATOM 700 CG LEU A 46 4.876 -8.463 2.900 1.00 0.00 C ATOM 701 CD1 LEU A 46 5.994 -7.977 1.991 1.00 0.00 C ATOM 702 CD2 LEU A 46 4.790 -7.756 4.249 1.00 0.00 C ATOM 0 H LEU A 46 2.957 -10.894 1.829 1.00 0.00 H new ATOM 0 HA LEU A 46 2.164 -8.788 3.729 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.728 -8.717 1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.301 -7.290 2.022 1.00 0.00 H new ATOM 0 HG LEU A 46 5.088 -9.497 3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.946 -8.045 2.517 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.030 -8.597 1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.809 -6.941 1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.738 -7.861 4.776 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.577 -6.699 4.093 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.993 -8.203 4.844 1.00 0.00 H new ATOM 714 N GLY A 47 0.543 -9.671 1.123 1.00 0.00 N ATOM 715 CA GLY A 47 -0.572 -9.422 0.219 1.00 0.00 C ATOM 716 C GLY A 47 -0.095 -9.184 -1.206 1.00 0.00 C ATOM 717 O GLY A 47 0.985 -8.635 -1.436 1.00 0.00 O ATOM 0 H GLY A 47 0.850 -10.644 1.130 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.253 -10.272 0.238 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.135 -8.555 0.565 1.00 0.00 H new ATOM 721 N GLU A 48 -0.914 -9.617 -2.161 1.00 0.00 N ATOM 722 CA GLU A 48 -0.502 -9.957 -3.508 1.00 0.00 C ATOM 723 C GLU A 48 0.000 -8.773 -4.335 1.00 0.00 C ATOM 724 O GLU A 48 0.799 -8.953 -5.251 1.00 0.00 O ATOM 725 CB GLU A 48 -1.680 -10.651 -4.205 1.00 0.00 C ATOM 726 CG GLU A 48 -1.139 -11.810 -5.035 1.00 0.00 C ATOM 727 CD GLU A 48 -2.217 -12.536 -5.826 1.00 0.00 C ATOM 728 OE1 GLU A 48 -3.119 -11.844 -6.350 1.00 0.00 O ATOM 729 OE2 GLU A 48 -2.110 -13.782 -5.944 1.00 0.00 O ATOM 0 H GLU A 48 -1.914 -9.743 -2.007 1.00 0.00 H new ATOM 0 HA GLU A 48 0.360 -10.620 -3.430 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.395 -11.015 -3.467 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.212 -9.945 -4.843 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.384 -11.433 -5.724 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.642 -12.520 -4.374 1.00 0.00 H new ATOM 736 N GLU A 49 -0.414 -7.554 -4.000 1.00 0.00 N ATOM 737 CA GLU A 49 -0.071 -6.348 -4.754 1.00 0.00 C ATOM 738 C GLU A 49 1.306 -5.770 -4.373 1.00 0.00 C ATOM 739 O GLU A 49 1.652 -4.642 -4.724 1.00 0.00 O ATOM 740 CB GLU A 49 -1.205 -5.322 -4.587 1.00 0.00 C ATOM 741 CG GLU A 49 -2.549 -5.814 -5.161 1.00 0.00 C ATOM 742 CD GLU A 49 -2.430 -6.241 -6.629 1.00 0.00 C ATOM 743 OE1 GLU A 49 -1.762 -5.523 -7.404 1.00 0.00 O ATOM 744 OE2 GLU A 49 -2.991 -7.289 -7.037 1.00 0.00 O ATOM 0 H GLU A 49 -1.004 -7.372 -3.188 1.00 0.00 H new ATOM 0 HA GLU A 49 0.024 -6.611 -5.807 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.329 -5.095 -3.528 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.923 -4.393 -5.082 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.910 -6.654 -4.568 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.291 -5.021 -5.074 1.00 0.00 H new ATOM 751 N ILE A 50 2.131 -6.544 -3.659 1.00 0.00 N ATOM 752 CA ILE A 50 3.429 -6.114 -3.145 1.00 0.00 C ATOM 753 C ILE A 50 4.389 -5.582 -4.222 1.00 0.00 C ATOM 754 O ILE A 50 5.315 -4.838 -3.895 1.00 0.00 O ATOM 755 CB ILE A 50 4.043 -7.238 -2.285 1.00 0.00 C ATOM 756 CG1 ILE A 50 5.263 -6.787 -1.463 1.00 0.00 C ATOM 757 CG2 ILE A 50 4.412 -8.476 -3.115 1.00 0.00 C ATOM 758 CD1 ILE A 50 4.935 -5.647 -0.493 1.00 0.00 C ATOM 0 H ILE A 50 1.906 -7.509 -3.419 1.00 0.00 H new ATOM 0 HA ILE A 50 3.257 -5.245 -2.510 1.00 0.00 H new ATOM 0 HB ILE A 50 3.253 -7.506 -1.584 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.651 -7.636 -0.901 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.054 -6.465 -2.141 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.840 -9.237 -2.463 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.517 -8.872 -3.596 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.141 -8.199 -3.877 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.833 -5.370 0.060 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.574 -4.785 -1.054 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.165 -5.974 0.206 1.00 0.00 H new ATOM 770 N ASP A 51 4.171 -5.897 -5.504 1.00 0.00 N ATOM 771 CA ASP A 51 4.955 -5.337 -6.606 1.00 0.00 C ATOM 772 C ASP A 51 4.945 -3.805 -6.623 1.00 0.00 C ATOM 773 O ASP A 51 5.947 -3.207 -7.017 1.00 0.00 O ATOM 774 CB ASP A 51 4.526 -5.928 -7.957 1.00 0.00 C ATOM 775 CG ASP A 51 3.218 -5.355 -8.517 1.00 0.00 C ATOM 776 OD1 ASP A 51 3.175 -4.171 -8.929 1.00 0.00 O ATOM 777 OD2 ASP A 51 2.246 -6.132 -8.629 1.00 0.00 O ATOM 0 H ASP A 51 3.445 -6.548 -5.805 1.00 0.00 H new ATOM 0 HA ASP A 51 5.990 -5.630 -6.432 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.322 -5.758 -8.682 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.418 -7.007 -7.849 1.00 0.00 H new ATOM 782 N SER A 52 3.906 -3.158 -6.082 1.00 0.00 N ATOM 783 CA SER A 52 3.835 -1.705 -5.956 1.00 0.00 C ATOM 784 C SER A 52 4.989 -1.118 -5.133 1.00 0.00 C ATOM 785 O SER A 52 5.319 0.065 -5.271 1.00 0.00 O ATOM 786 CB SER A 52 2.496 -1.325 -5.307 1.00 0.00 C ATOM 787 OG SER A 52 1.799 -0.407 -6.128 1.00 0.00 O ATOM 0 H SER A 52 3.084 -3.638 -5.716 1.00 0.00 H new ATOM 0 HA SER A 52 3.917 -1.286 -6.959 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.891 -2.219 -5.153 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.671 -0.886 -4.325 1.00 0.00 H new ATOM 0 HG SER A 52 0.946 -0.173 -5.706 1.00 0.00 H new ATOM 793 N LYS A 53 5.586 -1.922 -4.252 1.00 0.00 N ATOM 794 CA LYS A 53 6.629 -1.493 -3.337 1.00 0.00 C ATOM 795 C LYS A 53 8.012 -1.795 -3.898 1.00 0.00 C ATOM 796 O LYS A 53 8.968 -1.310 -3.316 1.00 0.00 O ATOM 797 CB LYS A 53 6.452 -2.198 -1.974 1.00 0.00 C ATOM 798 CG LYS A 53 5.061 -2.038 -1.344 1.00 0.00 C ATOM 799 CD LYS A 53 4.724 -0.593 -0.970 1.00 0.00 C ATOM 800 CE LYS A 53 3.281 -0.485 -0.467 1.00 0.00 C ATOM 801 NZ LYS A 53 2.278 -0.441 -1.546 1.00 0.00 N ATOM 0 H LYS A 53 5.348 -2.909 -4.158 1.00 0.00 H new ATOM 0 HA LYS A 53 6.543 -0.414 -3.205 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.658 -3.261 -2.101 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.197 -1.809 -1.280 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.310 -2.409 -2.041 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.002 -2.660 -0.451 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.410 -0.242 -0.199 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.861 0.053 -1.837 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.067 -1.335 0.181 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.185 0.413 0.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.326 -0.368 -1.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.456 0.385 -2.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.342 -1.309 -2.115 1.00 0.00 H new ATOM 815 N VAL A 54 8.159 -2.592 -4.960 1.00 0.00 N ATOM 816 CA VAL A 54 9.440 -3.227 -5.259 1.00 0.00 C ATOM 817 C VAL A 54 10.007 -2.734 -6.584 1.00 0.00 C ATOM 818 O VAL A 54 9.282 -2.595 -7.580 1.00 0.00 O ATOM 819 CB VAL A 54 9.279 -4.754 -5.218 1.00 0.00 C ATOM 820 CG1 VAL A 54 10.584 -5.394 -5.701 1.00 0.00 C ATOM 821 CG2 VAL A 54 8.935 -5.261 -3.809 1.00 0.00 C ATOM 0 H VAL A 54 7.413 -2.810 -5.620 1.00 0.00 H new ATOM 0 HA VAL A 54 10.167 -2.946 -4.497 1.00 0.00 H new ATOM 0 HB VAL A 54 8.450 -5.033 -5.868 1.00 0.00 H new ATOM 0 HG11 VAL A 54 10.487 -6.479 -5.678 1.00 0.00 H new ATOM 0 HG12 VAL A 54 10.793 -5.070 -6.720 1.00 0.00 H new ATOM 0 HG13 VAL A 54 11.402 -5.089 -5.048 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.831 -6.346 -3.828 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.732 -4.985 -3.118 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.998 -4.812 -3.479 1.00 0.00 H new ATOM 831 N LYS A 55 11.324 -2.506 -6.608 1.00 0.00 N ATOM 832 CA LYS A 55 12.066 -1.991 -7.749 1.00 0.00 C ATOM 833 C LYS A 55 13.424 -2.689 -7.813 1.00 0.00 C ATOM 834 O LYS A 55 13.919 -3.177 -6.797 1.00 0.00 O ATOM 835 CB LYS A 55 12.260 -0.476 -7.553 1.00 0.00 C ATOM 836 CG LYS A 55 10.935 0.301 -7.370 1.00 0.00 C ATOM 837 CD LYS A 55 10.225 0.614 -8.681 1.00 0.00 C ATOM 838 CE LYS A 55 10.936 1.787 -9.369 1.00 0.00 C ATOM 839 NZ LYS A 55 10.513 3.113 -8.868 1.00 0.00 N ATOM 0 H LYS A 55 11.919 -2.684 -5.799 1.00 0.00 H new ATOM 0 HA LYS A 55 11.527 -2.176 -8.678 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.892 -0.309 -6.681 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.792 -0.072 -8.414 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.267 -0.281 -6.735 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.140 1.234 -6.846 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.230 -0.262 -9.330 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.181 0.865 -8.493 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.012 1.681 -9.229 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.748 1.736 -10.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.032 3.858 -9.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.492 3.234 -9.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.717 3.181 -7.850 1.00 0.00 H new ATOM 853 N GLY A 56 14.055 -2.678 -8.989 1.00 0.00 N ATOM 854 CA GLY A 56 15.459 -3.034 -9.147 1.00 0.00 C ATOM 855 C GLY A 56 15.813 -4.485 -8.808 1.00 0.00 C ATOM 856 O GLY A 56 16.989 -4.745 -8.577 1.00 0.00 O ATOM 0 H GLY A 56 13.598 -2.419 -9.863 1.00 0.00 H new ATOM 0 HA2 GLY A 56 15.752 -2.838 -10.179 1.00 0.00 H new ATOM 0 HA3 GLY A 56 16.056 -2.376 -8.516 1.00 0.00 H new ATOM 860 N MET A 57 14.848 -5.415 -8.740 1.00 0.00 N ATOM 861 CA MET A 57 15.093 -6.745 -8.180 1.00 0.00 C ATOM 862 C MET A 57 16.158 -7.538 -8.956 1.00 0.00 C ATOM 863 O MET A 57 16.010 -7.771 -10.163 1.00 0.00 O ATOM 864 CB MET A 57 13.779 -7.544 -8.024 1.00 0.00 C ATOM 865 CG MET A 57 14.092 -8.873 -7.316 1.00 0.00 C ATOM 866 SD MET A 57 12.941 -9.484 -6.059 1.00 0.00 S ATOM 867 CE MET A 57 11.401 -9.516 -6.970 1.00 0.00 C ATOM 0 H MET A 57 13.893 -5.267 -9.067 1.00 0.00 H new ATOM 0 HA MET A 57 15.505 -6.588 -7.183 1.00 0.00 H new ATOM 0 HB2 MET A 57 13.054 -6.970 -7.447 1.00 0.00 H new ATOM 0 HB3 MET A 57 13.333 -7.732 -9.000 1.00 0.00 H new ATOM 0 HG2 MET A 57 14.182 -9.642 -8.083 1.00 0.00 H new ATOM 0 HG3 MET A 57 15.071 -8.775 -6.847 1.00 0.00 H new ATOM 0 HE1 MET A 57 10.646 -8.947 -6.428 1.00 0.00 H new ATOM 0 HE2 MET A 57 11.552 -9.073 -7.955 1.00 0.00 H new ATOM 0 HE3 MET A 57 11.066 -10.547 -7.083 1.00 0.00 H new ATOM 877 N VAL A 58 17.185 -8.015 -8.239 1.00 0.00 N ATOM 878 CA VAL A 58 18.348 -8.716 -8.774 1.00 0.00 C ATOM 879 C VAL A 58 18.652 -9.983 -7.964 1.00 0.00 C ATOM 880 O VAL A 58 18.625 -9.990 -6.730 1.00 0.00 O ATOM 881 CB VAL A 58 19.574 -7.769 -8.814 1.00 0.00 C ATOM 882 CG1 VAL A 58 19.540 -6.880 -10.063 1.00 0.00 C ATOM 883 CG2 VAL A 58 19.705 -6.872 -7.570 1.00 0.00 C ATOM 0 H VAL A 58 17.224 -7.915 -7.225 1.00 0.00 H new ATOM 0 HA VAL A 58 18.122 -9.028 -9.794 1.00 0.00 H new ATOM 0 HB VAL A 58 20.443 -8.427 -8.837 1.00 0.00 H new ATOM 0 HG11 VAL A 58 20.411 -6.225 -10.067 1.00 0.00 H new ATOM 0 HG12 VAL A 58 19.552 -7.506 -10.955 1.00 0.00 H new ATOM 0 HG13 VAL A 58 18.632 -6.277 -10.056 1.00 0.00 H new ATOM 0 HG21 VAL A 58 20.586 -6.237 -7.670 1.00 0.00 H new ATOM 0 HG22 VAL A 58 18.816 -6.248 -7.476 1.00 0.00 H new ATOM 0 HG23 VAL A 58 19.806 -7.495 -6.681 1.00 0.00 H new ATOM 893 N PHE A 59 18.929 -11.072 -8.684 1.00 0.00 N ATOM 894 CA PHE A 59 19.358 -12.355 -8.146 1.00 0.00 C ATOM 895 C PHE A 59 20.745 -12.237 -7.516 1.00 0.00 C ATOM 896 O PHE A 59 21.565 -11.438 -7.975 1.00 0.00 O ATOM 897 CB PHE A 59 19.366 -13.398 -9.279 1.00 0.00 C ATOM 898 CG PHE A 59 18.110 -14.239 -9.310 1.00 0.00 C ATOM 899 CD1 PHE A 59 17.906 -15.157 -8.267 1.00 0.00 C ATOM 900 CD2 PHE A 59 17.148 -14.123 -10.335 1.00 0.00 C ATOM 901 CE1 PHE A 59 16.742 -15.930 -8.235 1.00 0.00 C ATOM 902 CE2 PHE A 59 16.000 -14.931 -10.316 1.00 0.00 C ATOM 903 CZ PHE A 59 15.782 -15.820 -9.251 1.00 0.00 C ATOM 0 H PHE A 59 18.856 -11.079 -9.701 1.00 0.00 H new ATOM 0 HA PHE A 59 18.663 -12.671 -7.368 1.00 0.00 H new ATOM 0 HB2 PHE A 59 19.480 -12.888 -10.235 1.00 0.00 H new ATOM 0 HB3 PHE A 59 20.231 -14.050 -9.160 1.00 0.00 H new ATOM 0 HD1 PHE A 59 18.648 -15.266 -7.490 1.00 0.00 H new ATOM 0 HD2 PHE A 59 17.295 -13.412 -11.135 1.00 0.00 H new ATOM 0 HE1 PHE A 59 16.580 -16.619 -7.419 1.00 0.00 H new ATOM 0 HE2 PHE A 59 15.283 -14.869 -11.122 1.00 0.00 H new ATOM 0 HZ PHE A 59 14.881 -16.415 -9.215 1.00 0.00 H new ATOM 913 N LEU A 60 21.013 -13.077 -6.508 1.00 0.00 N ATOM 914 CA LEU A 60 22.290 -13.141 -5.799 1.00 0.00 C ATOM 915 C LEU A 60 23.117 -14.349 -6.251 1.00 0.00 C ATOM 916 O LEU A 60 22.589 -15.323 -6.809 1.00 0.00 O ATOM 917 CB LEU A 60 22.059 -13.238 -4.277 1.00 0.00 C ATOM 918 CG LEU A 60 21.151 -12.155 -3.662 1.00 0.00 C ATOM 919 CD1 LEU A 60 20.994 -12.416 -2.160 1.00 0.00 C ATOM 920 CD2 LEU A 60 21.620 -10.716 -3.905 1.00 0.00 C ATOM 0 H LEU A 60 20.328 -13.746 -6.157 1.00 0.00 H new ATOM 0 HA LEU A 60 22.837 -12.228 -6.033 1.00 0.00 H new ATOM 0 HB2 LEU A 60 21.627 -14.214 -4.056 1.00 0.00 H new ATOM 0 HB3 LEU A 60 23.028 -13.198 -3.779 1.00 0.00 H new ATOM 0 HG LEU A 60 20.192 -12.235 -4.173 1.00 0.00 H new ATOM 0 HD11 LEU A 60 20.352 -11.651 -1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 60 20.545 -13.397 -2.006 1.00 0.00 H new ATOM 0 HD13 LEU A 60 21.973 -12.385 -1.681 1.00 0.00 H new ATOM 0 HD21 LEU A 60 20.922 -10.022 -3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 60 22.612 -10.579 -3.474 1.00 0.00 H new ATOM 0 HD23 LEU A 60 21.661 -10.523 -4.977 1.00 0.00 H new ATOM 932 N LYS A 61 24.414 -14.303 -5.923 1.00 0.00 N ATOM 933 CA LYS A 61 25.388 -15.362 -6.165 1.00 0.00 C ATOM 934 C LYS A 61 24.928 -16.673 -5.547 1.00 0.00 C ATOM 935 O LYS A 61 24.431 -16.690 -4.419 1.00 0.00 O ATOM 936 CB LYS A 61 26.743 -14.951 -5.564 1.00 0.00 C ATOM 937 CG LYS A 61 27.935 -15.661 -6.223 1.00 0.00 C ATOM 938 CD LYS A 61 28.774 -16.505 -5.254 1.00 0.00 C ATOM 939 CE LYS A 61 30.035 -16.926 -6.015 1.00 0.00 C ATOM 940 NZ LYS A 61 30.852 -17.926 -5.306 1.00 0.00 N ATOM 0 H LYS A 61 24.825 -13.491 -5.463 1.00 0.00 H new ATOM 0 HA LYS A 61 25.488 -15.508 -7.241 1.00 0.00 H new ATOM 0 HB2 LYS A 61 26.868 -13.873 -5.667 1.00 0.00 H new ATOM 0 HB3 LYS A 61 26.742 -15.171 -4.496 1.00 0.00 H new ATOM 0 HG2 LYS A 61 27.565 -16.304 -7.022 1.00 0.00 H new ATOM 0 HG3 LYS A 61 28.578 -14.914 -6.688 1.00 0.00 H new ATOM 0 HD2 LYS A 61 29.033 -15.930 -4.365 1.00 0.00 H new ATOM 0 HD3 LYS A 61 28.215 -17.378 -4.918 1.00 0.00 H new ATOM 0 HE2 LYS A 61 29.745 -17.330 -6.985 1.00 0.00 H new ATOM 0 HE3 LYS A 61 30.644 -16.043 -6.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 31.687 -18.162 -5.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 31.159 -17.538 -4.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 30.288 -18.785 -5.146 1.00 0.00 H new ATOM 954 N GLY A 62 25.146 -17.780 -6.252 1.00 0.00 N ATOM 955 CA GLY A 62 24.808 -19.104 -5.755 1.00 0.00 C ATOM 956 C GLY A 62 23.328 -19.429 -5.922 1.00 0.00 C ATOM 957 O GLY A 62 22.942 -20.549 -5.612 1.00 0.00 O ATOM 0 H GLY A 62 25.562 -17.781 -7.183 1.00 0.00 H new ATOM 0 HA2 GLY A 62 25.402 -19.850 -6.283 1.00 0.00 H new ATOM 0 HA3 GLY A 62 25.075 -19.172 -4.700 1.00 0.00 H new ATOM 961 N LYS A 63 22.500 -18.507 -6.437 1.00 0.00 N ATOM 962 CA LYS A 63 21.114 -18.779 -6.834 1.00 0.00 C ATOM 963 C LYS A 63 20.219 -19.157 -5.640 1.00 0.00 C ATOM 964 O LYS A 63 19.165 -19.747 -5.866 1.00 0.00 O ATOM 965 CB LYS A 63 21.121 -19.819 -7.985 1.00 0.00 C ATOM 966 CG LYS A 63 19.975 -19.677 -9.001 1.00 0.00 C ATOM 967 CD LYS A 63 20.233 -20.576 -10.224 1.00 0.00 C ATOM 968 CE LYS A 63 19.160 -20.391 -11.312 1.00 0.00 C ATOM 969 NZ LYS A 63 19.019 -21.595 -12.158 1.00 0.00 N ATOM 0 H LYS A 63 22.781 -17.538 -6.591 1.00 0.00 H new ATOM 0 HA LYS A 63 20.655 -17.866 -7.214 1.00 0.00 H new ATOM 0 HB2 LYS A 63 22.069 -19.742 -8.517 1.00 0.00 H new ATOM 0 HB3 LYS A 63 21.079 -20.818 -7.551 1.00 0.00 H new ATOM 0 HG2 LYS A 63 19.029 -19.950 -8.533 1.00 0.00 H new ATOM 0 HG3 LYS A 63 19.886 -18.638 -9.317 1.00 0.00 H new ATOM 0 HD2 LYS A 63 21.214 -20.349 -10.640 1.00 0.00 H new ATOM 0 HD3 LYS A 63 20.254 -21.619 -9.909 1.00 0.00 H new ATOM 0 HE2 LYS A 63 18.203 -20.163 -10.843 1.00 0.00 H new ATOM 0 HE3 LYS A 63 19.420 -19.537 -11.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.287 -21.430 -12.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 19.925 -21.798 -12.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.746 -22.405 -11.566 1.00 0.00 H new ATOM 983 N LEU A 64 20.612 -18.793 -4.406 1.00 0.00 N ATOM 984 CA LEU A 64 19.901 -19.091 -3.151 1.00 0.00 C ATOM 985 C LEU A 64 19.387 -17.802 -2.466 1.00 0.00 C ATOM 986 O LEU A 64 19.173 -17.785 -1.250 1.00 0.00 O ATOM 987 CB LEU A 64 20.741 -19.934 -2.161 1.00 0.00 C ATOM 988 CG LEU A 64 21.442 -21.183 -2.752 1.00 0.00 C ATOM 989 CD1 LEU A 64 22.939 -21.191 -2.413 1.00 0.00 C ATOM 990 CD2 LEU A 64 20.815 -22.479 -2.238 1.00 0.00 C ATOM 0 H LEU A 64 21.469 -18.262 -4.250 1.00 0.00 H new ATOM 0 HA LEU A 64 19.042 -19.699 -3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 64 21.502 -19.289 -1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 64 20.090 -20.258 -1.349 1.00 0.00 H new ATOM 0 HG LEU A 64 21.312 -21.129 -3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 64 23.404 -22.079 -2.841 1.00 0.00 H new ATOM 0 HD12 LEU A 64 23.410 -20.299 -2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 64 23.067 -21.200 -1.331 1.00 0.00 H new ATOM 0 HD21 LEU A 64 21.334 -23.332 -2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 64 20.901 -22.519 -1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 64 19.763 -22.511 -2.520 1.00 0.00 H new ATOM 1002 N GLY A 65 19.197 -16.694 -3.193 1.00 0.00 N ATOM 1003 CA GLY A 65 18.719 -15.424 -2.656 1.00 0.00 C ATOM 1004 C GLY A 65 18.426 -14.404 -3.753 1.00 0.00 C ATOM 1005 O GLY A 65 18.847 -14.571 -4.905 1.00 0.00 O ATOM 0 H GLY A 65 19.378 -16.660 -4.196 1.00 0.00 H new ATOM 0 HA2 GLY A 65 17.815 -15.596 -2.072 1.00 0.00 H new ATOM 0 HA3 GLY A 65 19.465 -15.017 -1.974 1.00 0.00 H new ATOM 1009 N VAL A 66 17.730 -13.326 -3.387 1.00 0.00 N ATOM 1010 CA VAL A 66 17.459 -12.157 -4.221 1.00 0.00 C ATOM 1011 C VAL A 66 17.501 -10.935 -3.292 1.00 0.00 C ATOM 1012 O VAL A 66 17.277 -11.071 -2.087 1.00 0.00 O ATOM 1013 CB VAL A 66 16.112 -12.355 -4.954 1.00 0.00 C ATOM 1014 CG1 VAL A 66 14.891 -12.194 -4.032 1.00 0.00 C ATOM 1015 CG2 VAL A 66 15.959 -11.437 -6.163 1.00 0.00 C ATOM 0 H VAL A 66 17.321 -13.242 -2.456 1.00 0.00 H new ATOM 0 HA VAL A 66 18.198 -12.009 -5.008 1.00 0.00 H new ATOM 0 HB VAL A 66 16.140 -13.388 -5.302 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.978 -12.345 -4.608 1.00 0.00 H new ATOM 0 HG12 VAL A 66 14.941 -12.931 -3.230 1.00 0.00 H new ATOM 0 HG13 VAL A 66 14.888 -11.192 -3.604 1.00 0.00 H new ATOM 0 HG21 VAL A 66 14.995 -11.619 -6.639 1.00 0.00 H new ATOM 0 HG22 VAL A 66 16.013 -10.397 -5.840 1.00 0.00 H new ATOM 0 HG23 VAL A 66 16.759 -11.637 -6.876 1.00 0.00 H new ATOM 1025 N CYS A 67 17.762 -9.740 -3.813 1.00 0.00 N ATOM 1026 CA CYS A 67 17.577 -8.485 -3.086 1.00 0.00 C ATOM 1027 C CYS A 67 16.944 -7.471 -4.058 1.00 0.00 C ATOM 1028 O CYS A 67 16.921 -7.705 -5.275 1.00 0.00 O ATOM 1029 CB CYS A 67 18.917 -8.014 -2.494 1.00 0.00 C ATOM 1030 SG CYS A 67 19.641 -9.157 -1.286 1.00 0.00 S ATOM 0 H CYS A 67 18.112 -9.613 -4.763 1.00 0.00 H new ATOM 0 HA CYS A 67 16.906 -8.606 -2.236 1.00 0.00 H new ATOM 0 HB2 CYS A 67 19.628 -7.865 -3.307 1.00 0.00 H new ATOM 0 HB3 CYS A 67 18.770 -7.045 -2.017 1.00 0.00 H new ATOM 0 HG CYS A 67 18.885 -10.209 -1.176 1.00 0.00 H new ATOM 1036 N PHE A 68 16.351 -6.399 -3.527 1.00 0.00 N ATOM 1037 CA PHE A 68 15.586 -5.407 -4.287 1.00 0.00 C ATOM 1038 C PHE A 68 15.384 -4.136 -3.461 1.00 0.00 C ATOM 1039 O PHE A 68 15.473 -4.202 -2.239 1.00 0.00 O ATOM 1040 CB PHE A 68 14.220 -5.998 -4.664 1.00 0.00 C ATOM 1041 CG PHE A 68 13.404 -6.550 -3.510 1.00 0.00 C ATOM 1042 CD1 PHE A 68 12.619 -5.699 -2.716 1.00 0.00 C ATOM 1043 CD2 PHE A 68 13.437 -7.927 -3.228 1.00 0.00 C ATOM 1044 CE1 PHE A 68 11.872 -6.225 -1.646 1.00 0.00 C ATOM 1045 CE2 PHE A 68 12.653 -8.460 -2.194 1.00 0.00 C ATOM 1046 CZ PHE A 68 11.871 -7.607 -1.397 1.00 0.00 C ATOM 0 H PHE A 68 16.391 -6.191 -2.529 1.00 0.00 H new ATOM 0 HA PHE A 68 16.141 -5.151 -5.190 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.635 -5.225 -5.162 1.00 0.00 H new ATOM 0 HB3 PHE A 68 14.377 -6.796 -5.389 1.00 0.00 H new ATOM 0 HD1 PHE A 68 12.588 -4.640 -2.927 1.00 0.00 H new ATOM 0 HD2 PHE A 68 14.070 -8.579 -3.811 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.298 -5.564 -1.014 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.650 -9.524 -2.011 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.271 -8.013 -0.596 1.00 0.00 H new ATOM 1056 N ASP A 69 15.042 -3.010 -4.096 1.00 0.00 N ATOM 1057 CA ASP A 69 14.899 -1.691 -3.461 1.00 0.00 C ATOM 1058 C ASP A 69 13.418 -1.398 -3.223 1.00 0.00 C ATOM 1059 O ASP A 69 12.569 -1.823 -4.019 1.00 0.00 O ATOM 1060 CB ASP A 69 15.541 -0.587 -4.305 1.00 0.00 C ATOM 1061 CG ASP A 69 16.968 -0.898 -4.753 1.00 0.00 C ATOM 1062 OD1 ASP A 69 17.846 -1.106 -3.885 1.00 0.00 O ATOM 1063 OD2 ASP A 69 17.184 -0.892 -5.989 1.00 0.00 O ATOM 0 H ASP A 69 14.851 -2.988 -5.098 1.00 0.00 H new ATOM 0 HA ASP A 69 15.422 -1.710 -2.505 1.00 0.00 H new ATOM 0 HB2 ASP A 69 14.924 -0.413 -5.187 1.00 0.00 H new ATOM 0 HB3 ASP A 69 15.545 0.339 -3.731 1.00 0.00 H new ATOM 1068 N VAL A 70 13.083 -0.664 -2.152 1.00 0.00 N ATOM 1069 CA VAL A 70 11.699 -0.342 -1.796 1.00 0.00 C ATOM 1070 C VAL A 70 11.629 1.076 -1.223 1.00 0.00 C ATOM 1071 O VAL A 70 12.641 1.546 -0.704 1.00 0.00 O ATOM 1072 CB VAL A 70 11.163 -1.360 -0.763 1.00 0.00 C ATOM 1073 CG1 VAL A 70 11.145 -2.803 -1.268 1.00 0.00 C ATOM 1074 CG2 VAL A 70 11.978 -1.357 0.532 1.00 0.00 C ATOM 0 H VAL A 70 13.771 -0.276 -1.506 1.00 0.00 H new ATOM 0 HA VAL A 70 11.080 -0.396 -2.692 1.00 0.00 H new ATOM 0 HB VAL A 70 10.141 -1.026 -0.584 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.757 -3.457 -0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 70 10.508 -2.872 -2.150 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.158 -3.110 -1.528 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.562 -2.088 1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 70 13.014 -1.615 0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 70 11.939 -0.366 0.984 1.00 0.00 H new ATOM 1084 N PRO A 71 10.463 1.750 -1.222 1.00 0.00 N ATOM 1085 CA PRO A 71 10.300 3.029 -0.545 1.00 0.00 C ATOM 1086 C PRO A 71 10.448 2.851 0.963 1.00 0.00 C ATOM 1087 O PRO A 71 9.583 2.252 1.605 1.00 0.00 O ATOM 1088 CB PRO A 71 8.908 3.551 -0.919 1.00 0.00 C ATOM 1089 CG PRO A 71 8.146 2.311 -1.385 1.00 0.00 C ATOM 1090 CD PRO A 71 9.221 1.339 -1.853 1.00 0.00 C ATOM 0 HA PRO A 71 11.064 3.744 -0.850 1.00 0.00 H new ATOM 0 HB2 PRO A 71 8.418 4.021 -0.066 1.00 0.00 H new ATOM 0 HB3 PRO A 71 8.964 4.302 -1.707 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.554 1.884 -0.575 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.455 2.553 -2.192 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.966 0.317 -1.574 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.314 1.359 -2.939 1.00 0.00 H new ATOM 1098 N THR A 72 11.494 3.439 1.541 1.00 0.00 N ATOM 1099 CA THR A 72 11.767 3.460 2.973 1.00 0.00 C ATOM 1100 C THR A 72 10.537 3.944 3.752 1.00 0.00 C ATOM 1101 O THR A 72 10.159 3.341 4.746 1.00 0.00 O ATOM 1102 CB THR A 72 12.983 4.365 3.200 1.00 0.00 C ATOM 1103 OG1 THR A 72 13.986 4.096 2.251 1.00 0.00 O ATOM 1104 CG2 THR A 72 13.599 4.255 4.582 1.00 0.00 C ATOM 0 H THR A 72 12.203 3.934 1.000 1.00 0.00 H new ATOM 0 HA THR A 72 11.987 2.457 3.340 1.00 0.00 H new ATOM 0 HB THR A 72 12.596 5.379 3.095 1.00 0.00 H new ATOM 0 HG1 THR A 72 14.753 4.684 2.410 1.00 0.00 H new ATOM 0 HG21 THR A 72 14.452 4.929 4.655 1.00 0.00 H new ATOM 0 HG22 THR A 72 12.857 4.526 5.333 1.00 0.00 H new ATOM 0 HG23 THR A 72 13.930 3.231 4.752 1.00 0.00 H new ATOM 1112 N ALA A 73 9.832 4.955 3.231 1.00 0.00 N ATOM 1113 CA ALA A 73 8.631 5.513 3.851 1.00 0.00 C ATOM 1114 C ALA A 73 7.454 4.523 3.946 1.00 0.00 C ATOM 1115 O ALA A 73 6.458 4.824 4.607 1.00 0.00 O ATOM 1116 CB ALA A 73 8.239 6.767 3.066 1.00 0.00 C ATOM 0 H ALA A 73 10.085 5.413 2.355 1.00 0.00 H new ATOM 0 HA ALA A 73 8.866 5.755 4.887 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.344 7.207 3.506 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.054 7.489 3.104 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.039 6.499 2.029 1.00 0.00 H new ATOM 1122 N SER A 74 7.558 3.369 3.282 1.00 0.00 N ATOM 1123 CA SER A 74 6.623 2.257 3.314 1.00 0.00 C ATOM 1124 C SER A 74 7.222 1.051 4.047 1.00 0.00 C ATOM 1125 O SER A 74 6.444 0.248 4.547 1.00 0.00 O ATOM 1126 CB SER A 74 6.260 1.880 1.867 1.00 0.00 C ATOM 1127 OG SER A 74 4.868 1.912 1.599 1.00 0.00 O ATOM 0 H SER A 74 8.352 3.181 2.670 1.00 0.00 H new ATOM 0 HA SER A 74 5.727 2.556 3.858 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.767 2.563 1.185 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.638 0.880 1.656 1.00 0.00 H new ATOM 0 HG SER A 74 4.452 1.088 1.928 1.00 0.00 H new ATOM 1133 N VAL A 75 8.556 0.912 4.158 1.00 0.00 N ATOM 1134 CA VAL A 75 9.247 -0.233 4.776 1.00 0.00 C ATOM 1135 C VAL A 75 8.624 -0.622 6.107 1.00 0.00 C ATOM 1136 O VAL A 75 8.450 -1.815 6.356 1.00 0.00 O ATOM 1137 CB VAL A 75 10.756 0.061 4.925 1.00 0.00 C ATOM 1138 CG1 VAL A 75 11.523 -0.875 5.864 1.00 0.00 C ATOM 1139 CG2 VAL A 75 11.409 -0.093 3.557 1.00 0.00 C ATOM 0 H VAL A 75 9.204 1.618 3.808 1.00 0.00 H new ATOM 0 HA VAL A 75 9.129 -1.089 4.111 1.00 0.00 H new ATOM 0 HB VAL A 75 10.809 1.064 5.349 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.572 -0.580 5.895 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.099 -0.813 6.866 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.445 -1.899 5.500 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.477 0.110 3.639 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.260 -1.110 3.195 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.958 0.611 2.857 1.00 0.00 H new ATOM 1149 N THR A 76 8.232 0.370 6.900 1.00 0.00 N ATOM 1150 CA THR A 76 7.581 0.229 8.187 1.00 0.00 C ATOM 1151 C THR A 76 6.471 -0.820 8.140 1.00 0.00 C ATOM 1152 O THR A 76 6.424 -1.708 8.991 1.00 0.00 O ATOM 1153 CB THR A 76 7.099 1.631 8.609 1.00 0.00 C ATOM 1154 OG1 THR A 76 8.124 2.575 8.323 1.00 0.00 O ATOM 1155 CG2 THR A 76 6.736 1.728 10.091 1.00 0.00 C ATOM 0 H THR A 76 8.370 1.347 6.642 1.00 0.00 H new ATOM 0 HA THR A 76 8.272 -0.146 8.942 1.00 0.00 H new ATOM 0 HB THR A 76 6.190 1.839 8.044 1.00 0.00 H new ATOM 0 HG1 THR A 76 7.826 3.471 8.586 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.405 2.741 10.319 1.00 0.00 H new ATOM 0 HG22 THR A 76 5.934 1.025 10.316 1.00 0.00 H new ATOM 0 HG23 THR A 76 7.610 1.487 10.696 1.00 0.00 H new ATOM 1163 N GLU A 77 5.615 -0.773 7.116 1.00 0.00 N ATOM 1164 CA GLU A 77 4.486 -1.679 7.034 1.00 0.00 C ATOM 1165 C GLU A 77 4.937 -3.108 6.730 1.00 0.00 C ATOM 1166 O GLU A 77 4.405 -4.054 7.304 1.00 0.00 O ATOM 1167 CB GLU A 77 3.448 -1.143 6.036 1.00 0.00 C ATOM 1168 CG GLU A 77 3.700 -1.444 4.544 1.00 0.00 C ATOM 1169 CD GLU A 77 3.029 -0.442 3.603 1.00 0.00 C ATOM 1170 OE1 GLU A 77 1.907 0.012 3.938 1.00 0.00 O ATOM 1171 OE2 GLU A 77 3.623 -0.107 2.553 1.00 0.00 O ATOM 0 H GLU A 77 5.689 -0.117 6.339 1.00 0.00 H new ATOM 0 HA GLU A 77 3.997 -1.727 8.007 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.474 -1.552 6.306 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.385 -0.062 6.159 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.774 -1.445 4.357 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.336 -2.446 4.316 1.00 0.00 H new ATOM 1178 N ILE A 78 5.911 -3.271 5.832 1.00 0.00 N ATOM 1179 CA ILE A 78 6.405 -4.552 5.335 1.00 0.00 C ATOM 1180 C ILE A 78 7.207 -5.263 6.424 1.00 0.00 C ATOM 1181 O ILE A 78 7.079 -6.476 6.590 1.00 0.00 O ATOM 1182 CB ILE A 78 7.263 -4.287 4.079 1.00 0.00 C ATOM 1183 CG1 ILE A 78 6.453 -3.644 2.927 1.00 0.00 C ATOM 1184 CG2 ILE A 78 7.891 -5.587 3.581 1.00 0.00 C ATOM 1185 CD1 ILE A 78 7.151 -2.400 2.379 1.00 0.00 C ATOM 0 H ILE A 78 6.397 -2.477 5.415 1.00 0.00 H new ATOM 0 HA ILE A 78 5.574 -5.205 5.067 1.00 0.00 H new ATOM 0 HB ILE A 78 8.038 -3.581 4.377 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.319 -4.370 2.125 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.459 -3.377 3.285 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.493 -5.384 2.695 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.525 -6.007 4.362 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.104 -6.298 3.330 1.00 0.00 H new ATOM 0 HD11 ILE A 78 6.555 -1.974 1.572 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.262 -1.664 3.176 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.135 -2.673 1.998 1.00 0.00 H new ATOM 1197 N GLN A 79 8.051 -4.526 7.149 1.00 0.00 N ATOM 1198 CA GLN A 79 8.841 -5.070 8.235 1.00 0.00 C ATOM 1199 C GLN A 79 7.908 -5.582 9.323 1.00 0.00 C ATOM 1200 O GLN A 79 8.061 -6.727 9.740 1.00 0.00 O ATOM 1201 CB GLN A 79 9.806 -4.000 8.755 1.00 0.00 C ATOM 1202 CG GLN A 79 10.940 -3.756 7.748 1.00 0.00 C ATOM 1203 CD GLN A 79 12.021 -4.835 7.791 1.00 0.00 C ATOM 1204 OE1 GLN A 79 12.637 -5.104 8.815 1.00 0.00 O ATOM 1205 NE2 GLN A 79 12.273 -5.483 6.666 1.00 0.00 N ATOM 0 H GLN A 79 8.200 -3.529 6.991 1.00 0.00 H new ATOM 0 HA GLN A 79 9.443 -5.910 7.888 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.265 -3.071 8.933 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.224 -4.314 9.712 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.521 -3.709 6.743 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.395 -2.786 7.950 1.00 0.00 H new ATOM 0 HE21 GLN A 79 11.755 -5.253 5.818 1.00 0.00 H new ATOM 0 HE22 GLN A 79 12.985 -6.213 6.647 1.00 0.00 H new ATOM 1214 N GLU A 80 6.921 -4.787 9.748 1.00 0.00 N ATOM 1215 CA GLU A 80 6.030 -5.159 10.827 1.00 0.00 C ATOM 1216 C GLU A 80 5.045 -6.261 10.396 1.00 0.00 C ATOM 1217 O GLU A 80 4.515 -6.965 11.253 1.00 0.00 O ATOM 1218 CB GLU A 80 5.313 -3.881 11.277 1.00 0.00 C ATOM 1219 CG GLU A 80 6.175 -3.090 12.274 1.00 0.00 C ATOM 1220 CD GLU A 80 5.483 -1.815 12.768 1.00 0.00 C ATOM 1221 OE1 GLU A 80 4.551 -1.915 13.595 1.00 0.00 O ATOM 1222 OE2 GLU A 80 5.883 -0.682 12.404 1.00 0.00 O ATOM 0 H GLU A 80 6.726 -3.870 9.347 1.00 0.00 H new ATOM 0 HA GLU A 80 6.590 -5.585 11.659 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.091 -3.260 10.410 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.359 -4.138 11.738 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.412 -3.725 13.128 1.00 0.00 H new ATOM 0 HG3 GLU A 80 7.121 -2.826 11.801 1.00 0.00 H new ATOM 1229 N LYS A 81 4.830 -6.482 9.090 1.00 0.00 N ATOM 1230 CA LYS A 81 4.001 -7.581 8.580 1.00 0.00 C ATOM 1231 C LYS A 81 4.817 -8.808 8.170 1.00 0.00 C ATOM 1232 O LYS A 81 4.221 -9.758 7.665 1.00 0.00 O ATOM 1233 CB LYS A 81 3.086 -7.088 7.445 1.00 0.00 C ATOM 1234 CG LYS A 81 2.008 -6.133 7.988 1.00 0.00 C ATOM 1235 CD LYS A 81 0.567 -6.470 7.599 1.00 0.00 C ATOM 1236 CE LYS A 81 0.186 -5.810 6.272 1.00 0.00 C ATOM 1237 NZ LYS A 81 -1.230 -5.404 6.270 1.00 0.00 N ATOM 0 H LYS A 81 5.230 -5.899 8.355 1.00 0.00 H new ATOM 0 HA LYS A 81 3.370 -7.915 9.404 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.681 -6.579 6.687 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.612 -7.940 6.958 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.077 -6.117 9.076 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.233 -5.125 7.640 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.452 -7.551 7.517 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.112 -6.136 8.383 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.818 -4.938 6.101 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.370 -6.503 5.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.462 -4.959 5.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.831 -6.241 6.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.397 -4.725 7.040 1.00 0.00 H new ATOM 1251 N TRP A 82 6.134 -8.843 8.387 1.00 0.00 N ATOM 1252 CA TRP A 82 6.909 -10.062 8.226 1.00 0.00 C ATOM 1253 C TRP A 82 7.595 -10.401 9.547 1.00 0.00 C ATOM 1254 O TRP A 82 8.339 -9.585 10.091 1.00 0.00 O ATOM 1255 CB TRP A 82 7.888 -9.939 7.073 1.00 0.00 C ATOM 1256 CG TRP A 82 8.560 -11.239 6.771 1.00 0.00 C ATOM 1257 CD1 TRP A 82 9.451 -11.845 7.584 1.00 0.00 C ATOM 1258 CD2 TRP A 82 8.476 -12.083 5.583 1.00 0.00 C ATOM 1259 NE1 TRP A 82 9.872 -13.028 7.027 1.00 0.00 N ATOM 1260 CE2 TRP A 82 9.324 -13.214 5.780 1.00 0.00 C ATOM 1261 CE3 TRP A 82 7.858 -11.954 4.323 1.00 0.00 C ATOM 1262 CZ2 TRP A 82 9.552 -14.162 4.779 1.00 0.00 C ATOM 1263 CZ3 TRP A 82 8.104 -12.892 3.301 1.00 0.00 C ATOM 1264 CH2 TRP A 82 8.955 -13.986 3.520 1.00 0.00 C ATOM 0 H TRP A 82 6.683 -8.033 8.676 1.00 0.00 H new ATOM 0 HA TRP A 82 6.245 -10.888 7.970 1.00 0.00 H new ATOM 0 HB2 TRP A 82 7.361 -9.588 6.186 1.00 0.00 H new ATOM 0 HB3 TRP A 82 8.641 -9.189 7.315 1.00 0.00 H new ATOM 0 HD1 TRP A 82 9.785 -11.456 8.535 1.00 0.00 H new ATOM 0 HE1 TRP A 82 10.509 -13.684 7.480 1.00 0.00 H new ATOM 0 HE3 TRP A 82 7.188 -11.127 4.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 10.180 -15.020 4.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 7.632 -12.768 2.338 1.00 0.00 H new ATOM 0 HH2 TRP A 82 9.150 -14.689 2.724 1.00 0.00 H new ATOM 1275 N HIS A 83 7.437 -11.631 10.029 1.00 0.00 N ATOM 1276 CA HIS A 83 8.240 -12.157 11.127 1.00 0.00 C ATOM 1277 C HIS A 83 8.434 -13.666 10.944 1.00 0.00 C ATOM 1278 O HIS A 83 7.830 -14.480 11.641 1.00 0.00 O ATOM 1279 CB HIS A 83 7.623 -11.779 12.479 1.00 0.00 C ATOM 1280 CG HIS A 83 8.626 -11.698 13.603 1.00 0.00 C ATOM 1281 ND1 HIS A 83 8.695 -10.681 14.530 1.00 0.00 N ATOM 1282 CD2 HIS A 83 9.654 -12.567 13.865 1.00 0.00 C ATOM 1283 CE1 HIS A 83 9.726 -10.943 15.347 1.00 0.00 C ATOM 1284 NE2 HIS A 83 10.358 -12.059 14.960 1.00 0.00 N ATOM 0 H HIS A 83 6.748 -12.291 9.668 1.00 0.00 H new ATOM 0 HA HIS A 83 9.231 -11.704 11.116 1.00 0.00 H new ATOM 0 HB2 HIS A 83 7.121 -10.817 12.382 1.00 0.00 H new ATOM 0 HB3 HIS A 83 6.859 -12.513 12.738 1.00 0.00 H new ATOM 0 HD2 HIS A 83 9.878 -13.475 13.325 1.00 0.00 H new ATOM 0 HE1 HIS A 83 10.007 -10.339 16.197 1.00 0.00 H new ATOM 0 HE2 HIS A 83 11.194 -12.461 15.384 1.00 0.00 H new ATOM 1292 N ASP A 84 9.325 -13.994 10.008 1.00 0.00 N ATOM 1293 CA ASP A 84 9.756 -15.325 9.566 1.00 0.00 C ATOM 1294 C ASP A 84 8.649 -16.214 8.978 1.00 0.00 C ATOM 1295 O ASP A 84 7.462 -16.059 9.271 1.00 0.00 O ATOM 1296 CB ASP A 84 10.701 -15.974 10.601 1.00 0.00 C ATOM 1297 CG ASP A 84 10.405 -17.435 10.951 1.00 0.00 C ATOM 1298 OD1 ASP A 84 9.393 -17.731 11.631 1.00 0.00 O ATOM 1299 OD2 ASP A 84 11.224 -18.313 10.604 1.00 0.00 O ATOM 0 H ASP A 84 9.812 -13.264 9.488 1.00 0.00 H new ATOM 0 HA ASP A 84 10.366 -15.186 8.673 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.721 -15.910 10.223 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.663 -15.386 11.518 1.00 0.00 H new ATOM 1304 N SER A 85 9.059 -17.113 8.080 1.00 0.00 N ATOM 1305 CA SER A 85 8.241 -18.104 7.389 1.00 0.00 C ATOM 1306 C SER A 85 9.057 -19.404 7.335 1.00 0.00 C ATOM 1307 O SER A 85 10.267 -19.389 7.584 1.00 0.00 O ATOM 1308 CB SER A 85 7.888 -17.579 5.989 1.00 0.00 C ATOM 1309 OG SER A 85 6.945 -18.415 5.352 1.00 0.00 O ATOM 0 H SER A 85 10.038 -17.169 7.800 1.00 0.00 H new ATOM 0 HA SER A 85 7.300 -18.294 7.905 1.00 0.00 H new ATOM 0 HB2 SER A 85 7.487 -16.568 6.067 1.00 0.00 H new ATOM 0 HB3 SER A 85 8.792 -17.518 5.382 1.00 0.00 H new ATOM 0 HG SER A 85 7.072 -18.371 4.381 1.00 0.00 H new ATOM 1315 N ARG A 86 8.431 -20.535 6.995 1.00 0.00 N ATOM 1316 CA ARG A 86 9.002 -21.872 7.209 1.00 0.00 C ATOM 1317 C ARG A 86 10.337 -22.121 6.496 1.00 0.00 C ATOM 1318 O ARG A 86 11.038 -23.069 6.868 1.00 0.00 O ATOM 1319 CB ARG A 86 8.011 -22.969 6.793 1.00 0.00 C ATOM 1320 CG ARG A 86 6.614 -22.871 7.425 1.00 0.00 C ATOM 1321 CD ARG A 86 5.989 -24.264 7.593 1.00 0.00 C ATOM 1322 NE ARG A 86 6.622 -24.983 8.713 1.00 0.00 N ATOM 1323 CZ ARG A 86 6.302 -24.851 10.004 1.00 0.00 C ATOM 1324 NH1 ARG A 86 5.167 -24.265 10.367 1.00 0.00 N ATOM 1325 NH2 ARG A 86 7.142 -25.302 10.927 1.00 0.00 N ATOM 0 H ARG A 86 7.508 -20.551 6.561 1.00 0.00 H new ATOM 0 HA ARG A 86 9.201 -21.912 8.280 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.903 -22.945 5.709 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.440 -23.938 7.049 1.00 0.00 H new ATOM 0 HG2 ARG A 86 6.683 -22.380 8.396 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.970 -22.252 6.800 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.918 -24.169 7.773 1.00 0.00 H new ATOM 0 HD3 ARG A 86 6.108 -24.836 6.673 1.00 0.00 H new ATOM 0 HE ARG A 86 7.369 -25.638 8.483 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.527 -23.909 9.657 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.935 -24.171 11.356 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.018 -25.742 10.647 1.00 0.00 H new ATOM 0 HH22 ARG A 86 6.911 -25.208 11.916 1.00 0.00 H new ATOM 1339 N ARG A 87 10.699 -21.342 5.474 1.00 0.00 N ATOM 1340 CA ARG A 87 11.931 -21.512 4.698 1.00 0.00 C ATOM 1341 C ARG A 87 12.567 -20.172 4.325 1.00 0.00 C ATOM 1342 O ARG A 87 13.585 -20.176 3.635 1.00 0.00 O ATOM 1343 CB ARG A 87 11.581 -22.372 3.465 1.00 0.00 C ATOM 1344 CG ARG A 87 12.772 -23.090 2.808 1.00 0.00 C ATOM 1345 CD ARG A 87 12.331 -24.005 1.654 1.00 0.00 C ATOM 1346 NE ARG A 87 12.495 -25.428 1.990 1.00 0.00 N ATOM 1347 CZ ARG A 87 11.676 -26.152 2.758 1.00 0.00 C ATOM 1348 NH1 ARG A 87 10.519 -25.671 3.192 1.00 0.00 N ATOM 1349 NH2 ARG A 87 12.031 -27.380 3.091 1.00 0.00 N ATOM 0 H ARG A 87 10.131 -20.557 5.155 1.00 0.00 H new ATOM 0 HA ARG A 87 12.689 -22.018 5.296 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.845 -23.119 3.760 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.106 -21.734 2.720 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.479 -22.350 2.433 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.297 -23.681 3.558 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.287 -23.807 1.412 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.914 -23.773 0.763 1.00 0.00 H new ATOM 0 HE ARG A 87 13.308 -25.905 1.601 1.00 0.00 H new ATOM 0 HH11 ARG A 87 10.234 -24.725 2.941 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.914 -26.248 3.777 1.00 0.00 H new ATOM 0 HH21 ARG A 87 12.918 -27.761 2.762 1.00 0.00 H new ATOM 0 HH22 ARG A 87 11.418 -27.947 3.677 1.00 0.00 H new ATOM 1363 N TRP A 88 12.000 -19.034 4.737 1.00 0.00 N ATOM 1364 CA TRP A 88 12.392 -17.714 4.255 1.00 0.00 C ATOM 1365 C TRP A 88 12.609 -16.792 5.437 1.00 0.00 C ATOM 1366 O TRP A 88 11.744 -16.685 6.308 1.00 0.00 O ATOM 1367 CB TRP A 88 11.325 -17.138 3.326 1.00 0.00 C ATOM 1368 CG TRP A 88 11.157 -17.861 2.033 1.00 0.00 C ATOM 1369 CD1 TRP A 88 10.579 -19.068 1.889 1.00 0.00 C ATOM 1370 CD2 TRP A 88 11.491 -17.422 0.686 1.00 0.00 C ATOM 1371 NE1 TRP A 88 10.554 -19.416 0.561 1.00 0.00 N ATOM 1372 CE2 TRP A 88 11.138 -18.454 -0.227 1.00 0.00 C ATOM 1373 CE3 TRP A 88 12.015 -16.238 0.135 1.00 0.00 C ATOM 1374 CZ2 TRP A 88 11.392 -18.359 -1.598 1.00 0.00 C ATOM 1375 CZ3 TRP A 88 12.310 -16.144 -1.234 1.00 0.00 C ATOM 1376 CH2 TRP A 88 12.035 -17.218 -2.097 1.00 0.00 C ATOM 0 H TRP A 88 11.246 -19.008 5.424 1.00 0.00 H new ATOM 0 HA TRP A 88 13.319 -17.805 3.689 1.00 0.00 H new ATOM 0 HB2 TRP A 88 10.370 -17.137 3.851 1.00 0.00 H new ATOM 0 HB3 TRP A 88 11.573 -16.098 3.114 1.00 0.00 H new ATOM 0 HD1 TRP A 88 10.193 -19.672 2.697 1.00 0.00 H new ATOM 0 HE1 TRP A 88 10.151 -20.282 0.203 1.00 0.00 H new ATOM 0 HE3 TRP A 88 12.193 -15.387 0.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 11.096 -19.155 -2.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 12.751 -15.240 -1.627 1.00 0.00 H new ATOM 0 HH2 TRP A 88 12.317 -17.165 -3.138 1.00 0.00 H new ATOM 1387 N GLN A 89 13.750 -16.106 5.432 1.00 0.00 N ATOM 1388 CA GLN A 89 14.089 -15.087 6.407 1.00 0.00 C ATOM 1389 C GLN A 89 14.165 -13.756 5.660 1.00 0.00 C ATOM 1390 O GLN A 89 14.584 -13.704 4.497 1.00 0.00 O ATOM 1391 CB GLN A 89 15.430 -15.393 7.093 1.00 0.00 C ATOM 1392 CG GLN A 89 15.321 -16.450 8.206 1.00 0.00 C ATOM 1393 CD GLN A 89 15.767 -17.855 7.805 1.00 0.00 C ATOM 1394 OE1 GLN A 89 16.462 -18.523 8.567 1.00 0.00 O ATOM 1395 NE2 GLN A 89 15.376 -18.337 6.640 1.00 0.00 N ATOM 0 H GLN A 89 14.477 -16.251 4.731 1.00 0.00 H new ATOM 0 HA GLN A 89 13.333 -15.053 7.192 1.00 0.00 H new ATOM 0 HB2 GLN A 89 16.142 -15.738 6.344 1.00 0.00 H new ATOM 0 HB3 GLN A 89 15.832 -14.472 7.515 1.00 0.00 H new ATOM 0 HG2 GLN A 89 15.919 -16.124 9.057 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.286 -16.496 8.543 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.799 -17.768 6.020 1.00 0.00 H new ATOM 0 HE22 GLN A 89 15.651 -19.278 6.360 1.00 0.00 H new ATOM 1404 N LEU A 90 13.784 -12.689 6.357 1.00 0.00 N ATOM 1405 CA LEU A 90 13.754 -11.322 5.865 1.00 0.00 C ATOM 1406 C LEU A 90 14.747 -10.440 6.573 1.00 0.00 C ATOM 1407 O LEU A 90 15.277 -10.767 7.640 1.00 0.00 O ATOM 1408 CB LEU A 90 12.360 -10.736 6.078 1.00 0.00 C ATOM 1409 CG LEU A 90 11.507 -10.603 4.828 1.00 0.00 C ATOM 1410 CD1 LEU A 90 11.588 -9.244 4.174 1.00 0.00 C ATOM 1411 CD2 LEU A 90 11.628 -11.759 3.845 1.00 0.00 C ATOM 0 H LEU A 90 13.474 -12.762 7.326 1.00 0.00 H new ATOM 0 HA LEU A 90 14.013 -11.354 4.807 1.00 0.00 H new ATOM 0 HB2 LEU A 90 11.828 -11.362 6.795 1.00 0.00 H new ATOM 0 HB3 LEU A 90 12.465 -9.750 6.531 1.00 0.00 H new ATOM 0 HG LEU A 90 10.487 -10.681 5.204 1.00 0.00 H new ATOM 0 HD11 LEU A 90 10.952 -9.228 3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.252 -8.482 4.877 1.00 0.00 H new ATOM 0 HD13 LEU A 90 12.619 -9.041 3.884 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.983 -11.575 2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 90 12.662 -11.846 3.511 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.326 -12.685 4.334 1.00 0.00 H new ATOM 1423 N SER A 91 14.955 -9.294 5.930 1.00 0.00 N ATOM 1424 CA SER A 91 15.956 -8.337 6.351 1.00 0.00 C ATOM 1425 C SER A 91 15.828 -7.065 5.516 1.00 0.00 C ATOM 1426 O SER A 91 15.370 -7.113 4.372 1.00 0.00 O ATOM 1427 CB SER A 91 17.366 -8.959 6.245 1.00 0.00 C ATOM 1428 OG SER A 91 17.459 -10.095 5.382 1.00 0.00 O ATOM 0 H SER A 91 14.430 -9.009 5.103 1.00 0.00 H new ATOM 0 HA SER A 91 15.798 -8.071 7.396 1.00 0.00 H new ATOM 0 HB2 SER A 91 18.059 -8.195 5.892 1.00 0.00 H new ATOM 0 HB3 SER A 91 17.695 -9.251 7.243 1.00 0.00 H new ATOM 0 HG SER A 91 16.928 -9.936 4.574 1.00 0.00 H new ATOM 1434 N VAL A 92 16.281 -5.939 6.061 1.00 0.00 N ATOM 1435 CA VAL A 92 16.451 -4.674 5.358 1.00 0.00 C ATOM 1436 C VAL A 92 17.901 -4.208 5.528 1.00 0.00 C ATOM 1437 O VAL A 92 18.580 -4.628 6.472 1.00 0.00 O ATOM 1438 CB VAL A 92 15.373 -3.675 5.835 1.00 0.00 C ATOM 1439 CG1 VAL A 92 15.545 -3.249 7.297 1.00 0.00 C ATOM 1440 CG2 VAL A 92 15.294 -2.418 4.955 1.00 0.00 C ATOM 0 H VAL A 92 16.550 -5.882 7.043 1.00 0.00 H new ATOM 0 HA VAL A 92 16.294 -4.772 4.284 1.00 0.00 H new ATOM 0 HB VAL A 92 14.439 -4.229 5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 92 14.756 -2.548 7.567 1.00 0.00 H new ATOM 0 HG12 VAL A 92 15.487 -4.127 7.941 1.00 0.00 H new ATOM 0 HG13 VAL A 92 16.516 -2.769 7.424 1.00 0.00 H new ATOM 0 HG21 VAL A 92 14.520 -1.753 5.338 1.00 0.00 H new ATOM 0 HG22 VAL A 92 16.254 -1.903 4.970 1.00 0.00 H new ATOM 0 HG23 VAL A 92 15.052 -2.705 3.932 1.00 0.00 H new ATOM 1450 N ALA A 93 18.374 -3.356 4.617 1.00 0.00 N ATOM 1451 CA ALA A 93 19.712 -2.791 4.691 1.00 0.00 C ATOM 1452 C ALA A 93 19.806 -1.783 5.851 1.00 0.00 C ATOM 1453 O ALA A 93 18.793 -1.380 6.428 1.00 0.00 O ATOM 1454 CB ALA A 93 20.082 -2.142 3.354 1.00 0.00 C ATOM 0 H ALA A 93 17.836 -3.042 3.809 1.00 0.00 H new ATOM 0 HA ALA A 93 20.427 -3.590 4.888 1.00 0.00 H new ATOM 0 HB1 ALA A 93 21.086 -1.722 3.419 1.00 0.00 H new ATOM 0 HB2 ALA A 93 20.054 -2.893 2.565 1.00 0.00 H new ATOM 0 HB3 ALA A 93 19.370 -1.349 3.125 1.00 0.00 H new