USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=17 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 163:sc= -0.206 (180deg=-0.691) USER MOD Set 1.2: A 79 GLN : amide:sc= -0.33 K(o=-0.54,f=-3.7!) USER MOD Set 2.1: A 28 CYS SG : rot 11:sc= -1.43 USER MOD Set 2.2: A 32 MET CE :methyl -114:sc= -6.44! (180deg=-9.35!) USER MOD Single : A 23 THR OG1 : rot -70:sc= 1.27 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.0833 K(o=-0.083,f=-5.1!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.323 X(o=-0.32,f=-0.32) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 126:sc= 1.22 (180deg=0.0106) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl -178:sc= -0.97 (180deg=-0.98) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -159:sc= 1.31 (180deg=1.13) USER MOD Single : A 67 CYS SG : rot 15:sc= -0.325 USER MOD Single : A 72 THR OG1 : rot 144:sc= 0.952 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 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 14:sc= 0.923 USER MOD Single : A 89 GLN : amide:sc= -0.646! K(o=-0.65!,f=-0.014) USER MOD Single : A 91 SER OG : rot 2:sc= 0.419 USER MOD ----------------------------------------------------------------- ATOM 270 N GLY A 20 13.325 7.898 1.274 1.00 0.00 N ATOM 271 CA GLY A 20 13.909 7.721 -0.034 1.00 0.00 C ATOM 272 C GLY A 20 13.489 6.349 -0.534 1.00 0.00 C ATOM 273 O GLY A 20 12.291 6.105 -0.712 1.00 0.00 O ATOM 0 HA2 GLY A 20 13.567 8.500 -0.716 1.00 0.00 H new ATOM 0 HA3 GLY A 20 14.995 7.796 0.017 1.00 0.00 H new ATOM 277 N PHE A 21 14.455 5.453 -0.697 1.00 0.00 N ATOM 278 CA PHE A 21 14.286 4.014 -0.866 1.00 0.00 C ATOM 279 C PHE A 21 15.348 3.329 0.002 1.00 0.00 C ATOM 280 O PHE A 21 16.378 3.940 0.300 1.00 0.00 O ATOM 281 CB PHE A 21 14.425 3.599 -2.345 1.00 0.00 C ATOM 282 CG PHE A 21 13.213 3.930 -3.205 1.00 0.00 C ATOM 283 CD1 PHE A 21 13.004 5.233 -3.692 1.00 0.00 C ATOM 284 CD2 PHE A 21 12.276 2.929 -3.514 1.00 0.00 C ATOM 285 CE1 PHE A 21 11.840 5.538 -4.424 1.00 0.00 C ATOM 286 CE2 PHE A 21 11.099 3.237 -4.220 1.00 0.00 C ATOM 287 CZ PHE A 21 10.879 4.546 -4.674 1.00 0.00 C ATOM 0 H PHE A 21 15.437 5.728 -0.716 1.00 0.00 H new ATOM 0 HA PHE A 21 13.285 3.713 -0.558 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.301 4.091 -2.768 1.00 0.00 H new ATOM 0 HB3 PHE A 21 14.608 2.526 -2.393 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.739 6.002 -3.504 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.462 1.911 -3.206 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.686 6.541 -4.795 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.366 2.467 -4.412 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.975 4.789 -5.213 1.00 0.00 H new ATOM 297 N VAL A 22 15.114 2.084 0.407 1.00 0.00 N ATOM 298 CA VAL A 22 16.043 1.257 1.178 1.00 0.00 C ATOM 299 C VAL A 22 16.050 -0.130 0.532 1.00 0.00 C ATOM 300 O VAL A 22 15.037 -0.546 -0.033 1.00 0.00 O ATOM 301 CB VAL A 22 15.622 1.234 2.664 1.00 0.00 C ATOM 302 CG1 VAL A 22 16.441 0.262 3.523 1.00 0.00 C ATOM 303 CG2 VAL A 22 15.727 2.631 3.305 1.00 0.00 C ATOM 0 H VAL A 22 14.239 1.603 0.200 1.00 0.00 H new ATOM 0 HA VAL A 22 17.057 1.657 1.163 1.00 0.00 H new ATOM 0 HB VAL A 22 14.587 0.893 2.647 1.00 0.00 H new ATOM 0 HG11 VAL A 22 16.088 0.301 4.554 1.00 0.00 H new ATOM 0 HG12 VAL A 22 16.324 -0.751 3.138 1.00 0.00 H new ATOM 0 HG13 VAL A 22 17.493 0.544 3.489 1.00 0.00 H new ATOM 0 HG21 VAL A 22 15.423 2.576 4.350 1.00 0.00 H new ATOM 0 HG22 VAL A 22 16.757 2.982 3.245 1.00 0.00 H new ATOM 0 HG23 VAL A 22 15.075 3.325 2.774 1.00 0.00 H new ATOM 313 N THR A 23 17.174 -0.840 0.595 1.00 0.00 N ATOM 314 CA THR A 23 17.354 -2.117 -0.087 1.00 0.00 C ATOM 315 C THR A 23 17.114 -3.253 0.914 1.00 0.00 C ATOM 316 O THR A 23 17.531 -3.159 2.071 1.00 0.00 O ATOM 317 CB THR A 23 18.759 -2.154 -0.711 1.00 0.00 C ATOM 318 OG1 THR A 23 19.151 -0.876 -1.193 1.00 0.00 O ATOM 319 CG2 THR A 23 18.844 -3.154 -1.864 1.00 0.00 C ATOM 0 H THR A 23 17.992 -0.541 1.126 1.00 0.00 H new ATOM 0 HA THR A 23 16.636 -2.242 -0.897 1.00 0.00 H new ATOM 0 HB THR A 23 19.434 -2.466 0.086 1.00 0.00 H new ATOM 0 HG1 THR A 23 18.614 -0.644 -1.979 1.00 0.00 H new ATOM 0 HG21 THR A 23 19.853 -3.149 -2.277 1.00 0.00 H new ATOM 0 HG22 THR A 23 18.607 -4.153 -1.498 1.00 0.00 H new ATOM 0 HG23 THR A 23 18.133 -2.874 -2.641 1.00 0.00 H new ATOM 327 N MET A 24 16.440 -4.330 0.500 1.00 0.00 N ATOM 328 CA MET A 24 16.189 -5.495 1.335 1.00 0.00 C ATOM 329 C MET A 24 16.721 -6.763 0.694 1.00 0.00 C ATOM 330 O MET A 24 16.933 -6.851 -0.519 1.00 0.00 O ATOM 331 CB MET A 24 14.705 -5.674 1.661 1.00 0.00 C ATOM 332 CG MET A 24 14.066 -4.395 2.192 1.00 0.00 C ATOM 333 SD MET A 24 12.316 -4.552 2.657 1.00 0.00 S ATOM 334 CE MET A 24 12.383 -5.942 3.814 1.00 0.00 C ATOM 0 H MET A 24 16.050 -4.412 -0.439 1.00 0.00 H new ATOM 0 HA MET A 24 16.722 -5.314 2.269 1.00 0.00 H new ATOM 0 HB2 MET A 24 14.175 -5.996 0.764 1.00 0.00 H new ATOM 0 HB3 MET A 24 14.592 -6.467 2.400 1.00 0.00 H new ATOM 0 HG2 MET A 24 14.630 -4.058 3.062 1.00 0.00 H new ATOM 0 HG3 MET A 24 14.157 -3.618 1.433 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.468 -5.967 4.406 1.00 0.00 H new ATOM 0 HE2 MET A 24 12.481 -6.874 3.258 1.00 0.00 H new ATOM 0 HE3 MET A 24 13.240 -5.823 4.476 1.00 0.00 H new ATOM 344 N ILE A 25 16.885 -7.771 1.537 1.00 0.00 N ATOM 345 CA ILE A 25 17.739 -8.925 1.327 1.00 0.00 C ATOM 346 C ILE A 25 16.892 -10.139 1.686 1.00 0.00 C ATOM 347 O ILE A 25 16.389 -10.224 2.805 1.00 0.00 O ATOM 348 CB ILE A 25 18.993 -8.764 2.221 1.00 0.00 C ATOM 349 CG1 ILE A 25 19.810 -7.485 1.912 1.00 0.00 C ATOM 350 CG2 ILE A 25 19.900 -10.007 2.205 1.00 0.00 C ATOM 351 CD1 ILE A 25 20.440 -7.417 0.516 1.00 0.00 C ATOM 0 H ILE A 25 16.399 -7.806 2.433 1.00 0.00 H new ATOM 0 HA ILE A 25 18.097 -9.034 0.303 1.00 0.00 H new ATOM 0 HB ILE A 25 18.599 -8.654 3.231 1.00 0.00 H new ATOM 0 HG12 ILE A 25 19.158 -6.621 2.038 1.00 0.00 H new ATOM 0 HG13 ILE A 25 20.604 -7.396 2.653 1.00 0.00 H new ATOM 0 HG21 ILE A 25 20.763 -9.836 2.849 1.00 0.00 H new ATOM 0 HG22 ILE A 25 19.341 -10.870 2.568 1.00 0.00 H new ATOM 0 HG23 ILE A 25 20.239 -10.197 1.187 1.00 0.00 H new ATOM 0 HD11 ILE A 25 20.987 -6.481 0.409 1.00 0.00 H new ATOM 0 HD12 ILE A 25 21.125 -8.255 0.385 1.00 0.00 H new ATOM 0 HD13 ILE A 25 19.656 -7.467 -0.240 1.00 0.00 H new ATOM 363 N LEU A 26 16.700 -11.059 0.742 1.00 0.00 N ATOM 364 CA LEU A 26 15.915 -12.271 0.973 1.00 0.00 C ATOM 365 C LEU A 26 16.833 -13.458 1.221 1.00 0.00 C ATOM 366 O LEU A 26 17.874 -13.584 0.566 1.00 0.00 O ATOM 367 CB LEU A 26 14.988 -12.549 -0.227 1.00 0.00 C ATOM 368 CG LEU A 26 13.491 -12.400 0.086 1.00 0.00 C ATOM 369 CD1 LEU A 26 13.017 -13.466 1.051 1.00 0.00 C ATOM 370 CD2 LEU A 26 13.180 -10.971 0.565 1.00 0.00 C ATOM 0 H LEU A 26 17.082 -10.986 -0.201 1.00 0.00 H new ATOM 0 HA LEU A 26 15.298 -12.120 1.859 1.00 0.00 H new ATOM 0 HB2 LEU A 26 15.248 -11.868 -1.038 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.173 -13.561 -0.588 1.00 0.00 H new ATOM 0 HG LEU A 26 12.925 -12.557 -0.832 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.954 -13.330 1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.181 -14.451 0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.574 -13.385 1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.115 -10.884 0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.753 -10.757 1.467 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.451 -10.259 -0.214 1.00 0.00 H new ATOM 382 N GLN A 27 16.405 -14.359 2.107 1.00 0.00 N ATOM 383 CA GLN A 27 17.097 -15.588 2.459 1.00 0.00 C ATOM 384 C GLN A 27 16.083 -16.726 2.405 1.00 0.00 C ATOM 385 O GLN A 27 15.068 -16.692 3.101 1.00 0.00 O ATOM 386 CB GLN A 27 17.733 -15.497 3.856 1.00 0.00 C ATOM 387 CG GLN A 27 18.429 -14.156 4.150 1.00 0.00 C ATOM 388 CD GLN A 27 19.605 -14.354 5.099 1.00 0.00 C ATOM 389 OE1 GLN A 27 19.431 -14.532 6.301 1.00 0.00 O ATOM 390 NE2 GLN A 27 20.811 -14.384 4.555 1.00 0.00 N ATOM 0 H GLN A 27 15.529 -14.242 2.617 1.00 0.00 H new ATOM 0 HA GLN A 27 17.909 -15.765 1.754 1.00 0.00 H new ATOM 0 HB2 GLN A 27 16.960 -15.663 4.606 1.00 0.00 H new ATOM 0 HB3 GLN A 27 18.460 -16.302 3.964 1.00 0.00 H new ATOM 0 HG2 GLN A 27 18.778 -13.710 3.219 1.00 0.00 H new ATOM 0 HG3 GLN A 27 17.715 -13.459 4.589 1.00 0.00 H new ATOM 0 HE21 GLN A 27 20.922 -14.232 3.553 1.00 0.00 H new ATOM 0 HE22 GLN A 27 21.629 -14.559 5.138 1.00 0.00 H new ATOM 399 N CYS A 28 16.335 -17.719 1.561 1.00 0.00 N ATOM 400 CA CYS A 28 15.484 -18.886 1.373 1.00 0.00 C ATOM 401 C CYS A 28 16.343 -20.129 1.568 1.00 0.00 C ATOM 402 O CYS A 28 17.404 -20.212 0.944 1.00 0.00 O ATOM 403 CB CYS A 28 14.853 -18.842 -0.030 1.00 0.00 C ATOM 404 SG CYS A 28 16.020 -18.282 -1.296 1.00 0.00 S ATOM 0 H CYS A 28 17.165 -17.734 0.969 1.00 0.00 H new ATOM 0 HA CYS A 28 14.669 -18.901 2.096 1.00 0.00 H new ATOM 0 HB2 CYS A 28 14.486 -19.835 -0.292 1.00 0.00 H new ATOM 0 HB3 CYS A 28 13.990 -18.177 -0.016 1.00 0.00 H new ATOM 0 HG CYS A 28 17.221 -18.258 -0.799 1.00 0.00 H new ATOM 410 N SER A 29 15.921 -21.101 2.390 1.00 0.00 N ATOM 411 CA SER A 29 16.691 -22.337 2.530 1.00 0.00 C ATOM 412 C SER A 29 16.464 -23.311 1.351 1.00 0.00 C ATOM 413 O SER A 29 16.580 -24.527 1.526 1.00 0.00 O ATOM 414 CB SER A 29 16.444 -22.958 3.913 1.00 0.00 C ATOM 415 OG SER A 29 17.645 -23.507 4.407 1.00 0.00 O ATOM 0 H SER A 29 15.072 -21.055 2.953 1.00 0.00 H new ATOM 0 HA SER A 29 17.753 -22.096 2.476 1.00 0.00 H new ATOM 0 HB2 SER A 29 16.069 -22.200 4.601 1.00 0.00 H new ATOM 0 HB3 SER A 29 15.680 -23.732 3.844 1.00 0.00 H new ATOM 0 HG SER A 29 17.486 -23.901 5.290 1.00 0.00 H new ATOM 421 N ILE A 30 16.155 -22.806 0.155 1.00 0.00 N ATOM 422 CA ILE A 30 16.151 -23.510 -1.117 1.00 0.00 C ATOM 423 C ILE A 30 16.794 -22.602 -2.154 1.00 0.00 C ATOM 424 O ILE A 30 16.963 -21.398 -1.944 1.00 0.00 O ATOM 425 CB ILE A 30 14.728 -23.889 -1.596 1.00 0.00 C ATOM 426 CG1 ILE A 30 13.735 -22.707 -1.535 1.00 0.00 C ATOM 427 CG2 ILE A 30 14.218 -25.120 -0.851 1.00 0.00 C ATOM 428 CD1 ILE A 30 12.397 -23.001 -2.218 1.00 0.00 C ATOM 0 H ILE A 30 15.884 -21.829 0.049 1.00 0.00 H new ATOM 0 HA ILE A 30 16.701 -24.442 -0.988 1.00 0.00 H new ATOM 0 HB ILE A 30 14.801 -24.146 -2.653 1.00 0.00 H new ATOM 0 HG12 ILE A 30 13.553 -22.449 -0.492 1.00 0.00 H new ATOM 0 HG13 ILE A 30 14.190 -21.835 -2.005 1.00 0.00 H new ATOM 0 HG21 ILE A 30 13.217 -25.369 -1.203 1.00 0.00 H new ATOM 0 HG22 ILE A 30 14.887 -25.960 -1.036 1.00 0.00 H new ATOM 0 HG23 ILE A 30 14.185 -24.911 0.218 1.00 0.00 H new ATOM 0 HD11 ILE A 30 11.748 -22.129 -2.138 1.00 0.00 H new ATOM 0 HD12 ILE A 30 12.568 -23.230 -3.270 1.00 0.00 H new ATOM 0 HD13 ILE A 30 11.921 -23.853 -1.734 1.00 0.00 H new ATOM 440 N GLU A 31 17.080 -23.191 -3.306 1.00 0.00 N ATOM 441 CA GLU A 31 17.291 -22.461 -4.531 1.00 0.00 C ATOM 442 C GLU A 31 15.984 -21.826 -4.980 1.00 0.00 C ATOM 443 O GLU A 31 14.910 -22.418 -4.859 1.00 0.00 O ATOM 444 CB GLU A 31 17.792 -23.467 -5.562 1.00 0.00 C ATOM 445 CG GLU A 31 18.263 -22.870 -6.882 1.00 0.00 C ATOM 446 CD GLU A 31 18.187 -23.950 -7.951 1.00 0.00 C ATOM 447 OE1 GLU A 31 18.670 -25.071 -7.687 1.00 0.00 O ATOM 448 OE2 GLU A 31 17.567 -23.707 -9.007 1.00 0.00 O ATOM 0 H GLU A 31 17.171 -24.202 -3.409 1.00 0.00 H new ATOM 0 HA GLU A 31 18.017 -21.659 -4.401 1.00 0.00 H new ATOM 0 HB2 GLU A 31 18.615 -24.031 -5.124 1.00 0.00 H new ATOM 0 HB3 GLU A 31 16.992 -24.178 -5.769 1.00 0.00 H new ATOM 0 HG2 GLU A 31 17.640 -22.019 -7.157 1.00 0.00 H new ATOM 0 HG3 GLU A 31 19.284 -22.500 -6.788 1.00 0.00 H new ATOM 455 N MET A 32 16.120 -20.643 -5.567 1.00 0.00 N ATOM 456 CA MET A 32 15.108 -19.953 -6.327 1.00 0.00 C ATOM 457 C MET A 32 15.475 -20.099 -7.803 1.00 0.00 C ATOM 458 O MET A 32 16.217 -19.260 -8.328 1.00 0.00 O ATOM 459 CB MET A 32 14.991 -18.496 -5.892 1.00 0.00 C ATOM 460 CG MET A 32 14.518 -18.389 -4.448 1.00 0.00 C ATOM 461 SD MET A 32 13.830 -16.774 -4.021 1.00 0.00 S ATOM 462 CE MET A 32 15.231 -15.666 -4.242 1.00 0.00 C ATOM 0 H MET A 32 16.993 -20.117 -5.517 1.00 0.00 H new ATOM 0 HA MET A 32 14.123 -20.387 -6.152 1.00 0.00 H new ATOM 0 HB2 MET A 32 15.957 -18.003 -5.998 1.00 0.00 H new ATOM 0 HB3 MET A 32 14.293 -17.973 -6.546 1.00 0.00 H new ATOM 0 HG2 MET A 32 13.764 -19.154 -4.265 1.00 0.00 H new ATOM 0 HG3 MET A 32 15.356 -18.603 -3.785 1.00 0.00 H new ATOM 0 HE1 MET A 32 15.522 -15.250 -3.277 1.00 0.00 H new ATOM 0 HE2 MET A 32 16.069 -16.219 -4.666 1.00 0.00 H new ATOM 0 HE3 MET A 32 14.952 -14.857 -4.917 1.00 0.00 H new ATOM 472 N PRO A 33 15.057 -21.185 -8.482 1.00 0.00 N ATOM 473 CA PRO A 33 15.379 -21.386 -9.890 1.00 0.00 C ATOM 474 C PRO A 33 14.934 -20.207 -10.752 1.00 0.00 C ATOM 475 O PRO A 33 15.509 -19.993 -11.815 1.00 0.00 O ATOM 476 CB PRO A 33 14.675 -22.676 -10.322 1.00 0.00 C ATOM 477 CG PRO A 33 13.594 -22.878 -9.263 1.00 0.00 C ATOM 478 CD PRO A 33 14.200 -22.259 -8.008 1.00 0.00 C ATOM 0 HA PRO A 33 16.458 -21.461 -10.022 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.245 -22.581 -11.319 1.00 0.00 H new ATOM 0 HB3 PRO A 33 15.367 -23.518 -10.352 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.662 -22.386 -9.543 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.366 -23.934 -9.119 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.424 -21.878 -7.344 1.00 0.00 H new ATOM 0 HD3 PRO A 33 14.770 -22.996 -7.443 1.00 0.00 H new ATOM 486 N ASN A 34 13.921 -19.449 -10.323 1.00 0.00 N ATOM 487 CA ASN A 34 13.459 -18.252 -11.004 1.00 0.00 C ATOM 488 C ASN A 34 12.827 -17.281 -10.010 1.00 0.00 C ATOM 489 O ASN A 34 12.407 -17.663 -8.919 1.00 0.00 O ATOM 490 CB ASN A 34 12.420 -18.620 -12.070 1.00 0.00 C ATOM 491 CG ASN A 34 11.107 -19.029 -11.424 1.00 0.00 C ATOM 492 OD1 ASN A 34 10.244 -18.181 -11.222 1.00 0.00 O ATOM 493 ND2 ASN A 34 10.956 -20.291 -11.058 1.00 0.00 N ATOM 0 H ASN A 34 13.394 -19.660 -9.476 1.00 0.00 H new ATOM 0 HA ASN A 34 14.319 -17.776 -11.476 1.00 0.00 H new ATOM 0 HB2 ASN A 34 12.255 -17.770 -12.733 1.00 0.00 H new ATOM 0 HB3 ASN A 34 12.797 -19.436 -12.686 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.099 -20.587 -10.591 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.696 -20.968 -11.243 1.00 0.00 H new ATOM 500 N ILE A 35 12.695 -16.039 -10.463 1.00 0.00 N ATOM 501 CA ILE A 35 12.276 -14.846 -9.731 1.00 0.00 C ATOM 502 C ILE A 35 10.873 -14.904 -9.109 1.00 0.00 C ATOM 503 O ILE A 35 10.618 -14.159 -8.157 1.00 0.00 O ATOM 504 CB ILE A 35 12.476 -13.659 -10.702 1.00 0.00 C ATOM 505 CG1 ILE A 35 12.410 -12.275 -10.039 1.00 0.00 C ATOM 506 CG2 ILE A 35 11.552 -13.725 -11.930 1.00 0.00 C ATOM 507 CD1 ILE A 35 13.529 -11.346 -10.535 1.00 0.00 C ATOM 0 H ILE A 35 12.896 -15.821 -11.439 1.00 0.00 H new ATOM 0 HA ILE A 35 12.890 -14.739 -8.837 1.00 0.00 H new ATOM 0 HB ILE A 35 13.502 -13.779 -11.049 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.442 -11.819 -10.246 1.00 0.00 H new ATOM 0 HG13 ILE A 35 12.484 -12.387 -8.957 1.00 0.00 H new ATOM 0 HG21 ILE A 35 11.740 -12.865 -12.573 1.00 0.00 H new ATOM 0 HG22 ILE A 35 11.749 -14.643 -12.484 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.512 -13.714 -11.604 1.00 0.00 H new ATOM 0 HD11 ILE A 35 13.444 -10.378 -10.040 1.00 0.00 H new ATOM 0 HD12 ILE A 35 14.498 -11.788 -10.304 1.00 0.00 H new ATOM 0 HD13 ILE A 35 13.439 -11.212 -11.613 1.00 0.00 H new ATOM 519 N SER A 36 9.966 -15.763 -9.589 1.00 0.00 N ATOM 520 CA SER A 36 8.636 -15.896 -8.996 1.00 0.00 C ATOM 521 C SER A 36 8.667 -16.576 -7.627 1.00 0.00 C ATOM 522 O SER A 36 7.696 -16.427 -6.884 1.00 0.00 O ATOM 523 CB SER A 36 7.658 -16.598 -9.952 1.00 0.00 C ATOM 524 OG SER A 36 6.986 -15.624 -10.725 1.00 0.00 O ATOM 0 H SER A 36 10.132 -16.376 -10.387 1.00 0.00 H new ATOM 0 HA SER A 36 8.269 -14.883 -8.831 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.197 -17.287 -10.602 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.939 -17.190 -9.386 1.00 0.00 H new ATOM 0 HG SER A 36 6.362 -16.066 -11.338 1.00 0.00 H new ATOM 530 N TYR A 37 9.752 -17.265 -7.254 1.00 0.00 N ATOM 531 CA TYR A 37 9.836 -17.937 -5.965 1.00 0.00 C ATOM 532 C TYR A 37 9.663 -16.947 -4.816 1.00 0.00 C ATOM 533 O TYR A 37 8.839 -17.192 -3.932 1.00 0.00 O ATOM 534 CB TYR A 37 11.146 -18.725 -5.842 1.00 0.00 C ATOM 535 CG TYR A 37 10.984 -20.187 -6.191 1.00 0.00 C ATOM 536 CD1 TYR A 37 10.787 -20.584 -7.526 1.00 0.00 C ATOM 537 CD2 TYR A 37 10.959 -21.148 -5.162 1.00 0.00 C ATOM 538 CE1 TYR A 37 10.547 -21.935 -7.832 1.00 0.00 C ATOM 539 CE2 TYR A 37 10.715 -22.497 -5.463 1.00 0.00 C ATOM 540 CZ TYR A 37 10.501 -22.897 -6.798 1.00 0.00 C ATOM 541 OH TYR A 37 10.237 -24.202 -7.067 1.00 0.00 O ATOM 0 H TYR A 37 10.584 -17.368 -7.834 1.00 0.00 H new ATOM 0 HA TYR A 37 9.016 -18.653 -5.902 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.895 -18.280 -6.497 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.522 -18.639 -4.823 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.820 -19.850 -8.317 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.128 -20.846 -4.139 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.398 -22.238 -8.858 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.691 -23.230 -4.670 1.00 0.00 H new ATOM 0 HH TYR A 37 10.247 -24.717 -6.233 1.00 0.00 H new ATOM 551 N ALA A 38 10.411 -15.835 -4.816 1.00 0.00 N ATOM 552 CA ALA A 38 10.309 -14.904 -3.691 1.00 0.00 C ATOM 553 C ALA A 38 8.992 -14.149 -3.752 1.00 0.00 C ATOM 554 O ALA A 38 8.388 -13.900 -2.715 1.00 0.00 O ATOM 555 CB ALA A 38 11.462 -13.905 -3.652 1.00 0.00 C ATOM 0 H ALA A 38 11.066 -15.567 -5.550 1.00 0.00 H new ATOM 0 HA ALA A 38 10.357 -15.503 -2.781 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.337 -13.238 -2.799 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.406 -14.442 -3.558 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.468 -13.320 -4.572 1.00 0.00 H new ATOM 561 N TRP A 39 8.546 -13.779 -4.956 1.00 0.00 N ATOM 562 CA TRP A 39 7.281 -13.085 -5.126 1.00 0.00 C ATOM 563 C TRP A 39 6.134 -13.885 -4.520 1.00 0.00 C ATOM 564 O TRP A 39 5.282 -13.274 -3.891 1.00 0.00 O ATOM 565 CB TRP A 39 6.997 -12.851 -6.614 1.00 0.00 C ATOM 566 CG TRP A 39 7.765 -11.777 -7.312 1.00 0.00 C ATOM 567 CD1 TRP A 39 8.533 -11.952 -8.411 1.00 0.00 C ATOM 568 CD2 TRP A 39 7.745 -10.341 -7.067 1.00 0.00 C ATOM 569 NE1 TRP A 39 9.008 -10.739 -8.856 1.00 0.00 N ATOM 570 CE2 TRP A 39 8.529 -9.709 -8.081 1.00 0.00 C ATOM 571 CE3 TRP A 39 7.126 -9.512 -6.104 1.00 0.00 C ATOM 572 CZ2 TRP A 39 8.690 -8.323 -8.149 1.00 0.00 C ATOM 573 CZ3 TRP A 39 7.273 -8.112 -6.173 1.00 0.00 C ATOM 574 CH2 TRP A 39 8.050 -7.540 -7.186 1.00 0.00 C ATOM 0 H TRP A 39 9.050 -13.953 -5.826 1.00 0.00 H new ATOM 0 HA TRP A 39 7.357 -12.127 -4.612 1.00 0.00 H new ATOM 0 HB2 TRP A 39 7.179 -13.788 -7.140 1.00 0.00 H new ATOM 0 HB3 TRP A 39 5.936 -12.626 -6.721 1.00 0.00 H new ATOM 0 HD1 TRP A 39 8.743 -12.905 -8.873 1.00 0.00 H new ATOM 0 HE1 TRP A 39 9.632 -10.620 -9.654 1.00 0.00 H new ATOM 0 HE3 TRP A 39 6.538 -9.953 -5.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.292 -7.870 -8.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 6.786 -7.481 -5.444 1.00 0.00 H new ATOM 0 HH2 TRP A 39 8.158 -6.466 -7.224 1.00 0.00 H new ATOM 585 N LYS A 40 6.099 -15.211 -4.713 1.00 0.00 N ATOM 586 CA LYS A 40 5.046 -16.057 -4.151 1.00 0.00 C ATOM 587 C LYS A 40 4.980 -15.891 -2.636 1.00 0.00 C ATOM 588 O LYS A 40 3.916 -15.566 -2.120 1.00 0.00 O ATOM 589 CB LYS A 40 5.224 -17.517 -4.558 1.00 0.00 C ATOM 590 CG LYS A 40 4.710 -17.691 -5.992 1.00 0.00 C ATOM 591 CD LYS A 40 5.081 -19.050 -6.573 1.00 0.00 C ATOM 592 CE LYS A 40 3.883 -20.006 -6.608 1.00 0.00 C ATOM 593 NZ LYS A 40 4.209 -21.281 -7.283 1.00 0.00 N ATOM 0 H LYS A 40 6.795 -15.720 -5.258 1.00 0.00 H new ATOM 0 HA LYS A 40 4.091 -15.732 -4.563 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.274 -17.802 -4.495 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.676 -18.169 -3.878 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.626 -17.575 -6.005 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.122 -16.903 -6.622 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.470 -18.919 -7.583 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.881 -19.492 -5.979 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.552 -20.210 -5.590 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.051 -19.526 -7.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.371 -21.897 -7.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.500 -21.090 -8.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.985 -21.753 -6.777 1.00 0.00 H new ATOM 607 N GLU A 41 6.113 -16.063 -1.948 1.00 0.00 N ATOM 608 CA GLU A 41 6.151 -16.017 -0.490 1.00 0.00 C ATOM 609 C GLU A 41 5.811 -14.619 0.018 1.00 0.00 C ATOM 610 O GLU A 41 4.966 -14.481 0.901 1.00 0.00 O ATOM 611 CB GLU A 41 7.522 -16.462 0.053 1.00 0.00 C ATOM 612 CG GLU A 41 7.351 -17.483 1.193 1.00 0.00 C ATOM 613 CD GLU A 41 6.861 -18.866 0.718 1.00 0.00 C ATOM 614 OE1 GLU A 41 6.601 -19.071 -0.494 1.00 0.00 O ATOM 615 OE2 GLU A 41 6.761 -19.805 1.547 1.00 0.00 O ATOM 0 H GLU A 41 7.019 -16.236 -2.384 1.00 0.00 H new ATOM 0 HA GLU A 41 5.399 -16.715 -0.122 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.111 -16.903 -0.751 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.074 -15.595 0.415 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.304 -17.602 1.708 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.643 -17.087 1.921 1.00 0.00 H new ATOM 622 N LEU A 42 6.424 -13.566 -0.544 1.00 0.00 N ATOM 623 CA LEU A 42 6.091 -12.212 -0.117 1.00 0.00 C ATOM 624 C LEU A 42 4.607 -11.917 -0.319 1.00 0.00 C ATOM 625 O LEU A 42 3.965 -11.423 0.603 1.00 0.00 O ATOM 626 CB LEU A 42 6.943 -11.146 -0.825 1.00 0.00 C ATOM 627 CG LEU A 42 8.336 -10.854 -0.229 1.00 0.00 C ATOM 628 CD1 LEU A 42 8.413 -10.993 1.288 1.00 0.00 C ATOM 629 CD2 LEU A 42 9.439 -11.728 -0.814 1.00 0.00 C ATOM 0 H LEU A 42 7.133 -13.628 -1.275 1.00 0.00 H new ATOM 0 HA LEU A 42 6.319 -12.162 0.948 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.076 -11.453 -1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.378 -10.214 -0.838 1.00 0.00 H new ATOM 0 HG LEU A 42 8.493 -9.811 -0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.426 -10.770 1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.716 -10.296 1.753 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.152 -12.012 1.574 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.392 -11.470 -0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.213 -12.777 -0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.502 -11.563 -1.890 1.00 0.00 H new ATOM 641 N LYS A 43 4.043 -12.253 -1.484 1.00 0.00 N ATOM 642 CA LYS A 43 2.622 -12.064 -1.773 1.00 0.00 C ATOM 643 C LYS A 43 1.715 -12.958 -0.906 1.00 0.00 C ATOM 644 O LYS A 43 0.495 -12.870 -1.054 1.00 0.00 O ATOM 645 CB LYS A 43 2.345 -12.337 -3.264 1.00 0.00 C ATOM 646 CG LYS A 43 2.856 -11.288 -4.288 1.00 0.00 C ATOM 647 CD LYS A 43 2.677 -11.866 -5.699 1.00 0.00 C ATOM 648 CE LYS A 43 3.198 -10.911 -6.780 1.00 0.00 C ATOM 649 NZ LYS A 43 2.742 -11.323 -8.123 1.00 0.00 N ATOM 0 H LYS A 43 4.565 -12.666 -2.256 1.00 0.00 H new ATOM 0 HA LYS A 43 2.385 -11.028 -1.531 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.788 -13.300 -3.518 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.267 -12.438 -3.394 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.300 -10.356 -4.186 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.905 -11.056 -4.103 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.204 -12.817 -5.771 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.621 -12.072 -5.875 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.853 -9.898 -6.571 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.287 -10.888 -6.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.110 -10.659 -8.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.092 -12.280 -8.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.702 -11.321 -8.152 1.00 0.00 H new ATOM 663 N GLU A 44 2.249 -13.826 -0.048 1.00 0.00 N ATOM 664 CA GLU A 44 1.488 -14.719 0.823 1.00 0.00 C ATOM 665 C GLU A 44 1.423 -14.229 2.267 1.00 0.00 C ATOM 666 O GLU A 44 0.614 -14.746 3.033 1.00 0.00 O ATOM 667 CB GLU A 44 2.086 -16.127 0.774 1.00 0.00 C ATOM 668 CG GLU A 44 1.138 -17.082 0.036 1.00 0.00 C ATOM 669 CD GLU A 44 1.675 -18.504 -0.131 1.00 0.00 C ATOM 670 OE1 GLU A 44 1.493 -19.329 0.794 1.00 0.00 O ATOM 671 OE2 GLU A 44 2.176 -18.832 -1.233 1.00 0.00 O ATOM 0 H GLU A 44 3.258 -13.930 0.063 1.00 0.00 H new ATOM 0 HA GLU A 44 0.464 -14.733 0.448 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.052 -16.102 0.271 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.263 -16.490 1.786 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.193 -17.125 0.577 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.923 -16.670 -0.950 1.00 0.00 H new ATOM 678 N GLN A 45 2.245 -13.265 2.675 1.00 0.00 N ATOM 679 CA GLN A 45 2.146 -12.539 3.914 1.00 0.00 C ATOM 680 C GLN A 45 1.668 -11.096 3.604 1.00 0.00 C ATOM 681 O GLN A 45 0.719 -10.603 4.219 1.00 0.00 O ATOM 682 CB GLN A 45 3.543 -12.673 4.578 1.00 0.00 C ATOM 683 CG GLN A 45 3.843 -11.527 5.489 1.00 0.00 C ATOM 684 CD GLN A 45 2.930 -11.429 6.717 1.00 0.00 C ATOM 685 OE1 GLN A 45 2.105 -10.535 6.847 1.00 0.00 O ATOM 686 NE2 GLN A 45 3.070 -12.348 7.658 1.00 0.00 N ATOM 0 H GLN A 45 3.038 -12.962 2.110 1.00 0.00 H new ATOM 0 HA GLN A 45 1.408 -12.918 4.621 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.589 -13.605 5.141 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.308 -12.730 3.804 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.876 -11.610 5.827 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.767 -10.600 4.921 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.759 -13.092 7.546 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.489 -12.313 8.496 1.00 0.00 H new ATOM 695 N LEU A 46 2.340 -10.399 2.674 1.00 0.00 N ATOM 696 CA LEU A 46 2.257 -8.949 2.473 1.00 0.00 C ATOM 697 C LEU A 46 1.116 -8.548 1.516 1.00 0.00 C ATOM 698 O LEU A 46 0.999 -7.364 1.172 1.00 0.00 O ATOM 699 CB LEU A 46 3.605 -8.420 1.931 1.00 0.00 C ATOM 700 CG LEU A 46 4.816 -8.525 2.883 1.00 0.00 C ATOM 701 CD1 LEU A 46 6.127 -8.294 2.137 1.00 0.00 C ATOM 702 CD2 LEU A 46 4.682 -7.537 4.034 1.00 0.00 C ATOM 0 H LEU A 46 2.979 -10.849 2.019 1.00 0.00 H new ATOM 0 HA LEU A 46 2.038 -8.500 3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.842 -8.962 1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.476 -7.373 1.657 1.00 0.00 H new ATOM 0 HG LEU A 46 4.831 -9.536 3.290 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.961 -8.374 2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.236 -9.043 1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.121 -7.300 1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.545 -7.627 4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.632 -6.522 3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.773 -7.753 4.595 1.00 0.00 H new ATOM 714 N GLY A 47 0.277 -9.491 1.075 1.00 0.00 N ATOM 715 CA GLY A 47 -0.751 -9.265 0.070 1.00 0.00 C ATOM 716 C GLY A 47 -0.156 -9.289 -1.335 1.00 0.00 C ATOM 717 O GLY A 47 1.019 -8.983 -1.545 1.00 0.00 O ATOM 0 H GLY A 47 0.299 -10.451 1.418 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.523 -10.030 0.155 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.234 -8.304 0.248 1.00 0.00 H new ATOM 721 N GLU A 48 -0.980 -9.626 -2.330 1.00 0.00 N ATOM 722 CA GLU A 48 -0.543 -9.820 -3.701 1.00 0.00 C ATOM 723 C GLU A 48 -0.126 -8.520 -4.403 1.00 0.00 C ATOM 724 O GLU A 48 0.445 -8.547 -5.503 1.00 0.00 O ATOM 725 CB GLU A 48 -1.659 -10.524 -4.475 1.00 0.00 C ATOM 726 CG GLU A 48 -1.465 -12.042 -4.513 1.00 0.00 C ATOM 727 CD GLU A 48 -2.466 -12.678 -5.465 1.00 0.00 C ATOM 728 OE1 GLU A 48 -2.176 -12.734 -6.678 1.00 0.00 O ATOM 729 OE2 GLU A 48 -3.556 -13.104 -5.009 1.00 0.00 O ATOM 0 H GLU A 48 -1.981 -9.772 -2.197 1.00 0.00 H new ATOM 0 HA GLU A 48 0.356 -10.436 -3.678 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.620 -10.293 -4.015 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.692 -10.138 -5.494 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.450 -12.278 -4.831 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.590 -12.457 -3.513 1.00 0.00 H new ATOM 736 N GLU A 49 -0.409 -7.360 -3.808 1.00 0.00 N ATOM 737 CA GLU A 49 -0.144 -6.067 -4.414 1.00 0.00 C ATOM 738 C GLU A 49 1.165 -5.473 -3.877 1.00 0.00 C ATOM 739 O GLU A 49 1.208 -4.371 -3.312 1.00 0.00 O ATOM 740 CB GLU A 49 -1.339 -5.123 -4.211 1.00 0.00 C ATOM 741 CG GLU A 49 -2.591 -5.453 -5.039 1.00 0.00 C ATOM 742 CD GLU A 49 -3.721 -4.427 -4.831 1.00 0.00 C ATOM 743 OE1 GLU A 49 -3.437 -3.241 -4.522 1.00 0.00 O ATOM 744 OE2 GLU A 49 -4.896 -4.808 -5.040 1.00 0.00 O ATOM 0 H GLU A 49 -0.833 -7.298 -2.882 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.016 -6.200 -5.488 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.610 -5.131 -3.155 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.023 -4.108 -4.451 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.326 -5.488 -6.096 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.951 -6.446 -4.768 1.00 0.00 H new ATOM 751 N ILE A 50 2.250 -6.219 -4.092 1.00 0.00 N ATOM 752 CA ILE A 50 3.585 -5.818 -3.684 1.00 0.00 C ATOM 753 C ILE A 50 4.529 -5.576 -4.873 1.00 0.00 C ATOM 754 O ILE A 50 5.654 -5.113 -4.681 1.00 0.00 O ATOM 755 CB ILE A 50 4.095 -6.818 -2.640 1.00 0.00 C ATOM 756 CG1 ILE A 50 5.334 -6.224 -1.953 1.00 0.00 C ATOM 757 CG2 ILE A 50 4.363 -8.204 -3.246 1.00 0.00 C ATOM 758 CD1 ILE A 50 5.170 -6.215 -0.439 1.00 0.00 C ATOM 0 H ILE A 50 2.220 -7.125 -4.559 1.00 0.00 H new ATOM 0 HA ILE A 50 3.550 -4.837 -3.209 1.00 0.00 H new ATOM 0 HB ILE A 50 3.321 -6.981 -1.890 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.216 -6.804 -2.223 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.499 -5.207 -2.310 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.723 -8.878 -2.468 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.441 -8.600 -3.671 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.116 -8.119 -4.029 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.062 -5.789 0.021 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.301 -5.614 -0.171 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.029 -7.235 -0.082 1.00 0.00 H new ATOM 770 N ASP A 51 4.064 -5.755 -6.110 1.00 0.00 N ATOM 771 CA ASP A 51 4.771 -5.230 -7.277 1.00 0.00 C ATOM 772 C ASP A 51 4.772 -3.694 -7.300 1.00 0.00 C ATOM 773 O ASP A 51 5.481 -3.077 -8.086 1.00 0.00 O ATOM 774 CB ASP A 51 4.232 -5.829 -8.571 1.00 0.00 C ATOM 775 CG ASP A 51 2.907 -5.225 -9.013 1.00 0.00 C ATOM 776 OD1 ASP A 51 1.860 -5.749 -8.559 1.00 0.00 O ATOM 777 OD2 ASP A 51 2.892 -4.237 -9.778 1.00 0.00 O ATOM 0 H ASP A 51 3.204 -6.258 -6.329 1.00 0.00 H new ATOM 0 HA ASP A 51 5.813 -5.539 -7.195 1.00 0.00 H new ATOM 0 HB2 ASP A 51 4.969 -5.688 -9.362 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.107 -6.904 -8.440 1.00 0.00 H new ATOM 782 N SER A 52 4.027 -3.066 -6.394 1.00 0.00 N ATOM 783 CA SER A 52 4.039 -1.648 -6.125 1.00 0.00 C ATOM 784 C SER A 52 5.280 -1.241 -5.313 1.00 0.00 C ATOM 785 O SER A 52 5.920 -0.240 -5.643 1.00 0.00 O ATOM 786 CB SER A 52 2.732 -1.329 -5.386 1.00 0.00 C ATOM 787 OG SER A 52 2.527 0.055 -5.249 1.00 0.00 O ATOM 0 H SER A 52 3.366 -3.568 -5.801 1.00 0.00 H new ATOM 0 HA SER A 52 4.098 -1.075 -7.050 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.894 -1.768 -5.927 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.752 -1.792 -4.399 1.00 0.00 H new ATOM 0 HG SER A 52 1.684 0.216 -4.775 1.00 0.00 H new ATOM 793 N LYS A 53 5.639 -1.987 -4.254 1.00 0.00 N ATOM 794 CA LYS A 53 6.632 -1.570 -3.247 1.00 0.00 C ATOM 795 C LYS A 53 8.073 -1.888 -3.676 1.00 0.00 C ATOM 796 O LYS A 53 8.940 -2.051 -2.829 1.00 0.00 O ATOM 797 CB LYS A 53 6.340 -2.166 -1.843 1.00 0.00 C ATOM 798 CG LYS A 53 5.050 -1.715 -1.136 1.00 0.00 C ATOM 799 CD LYS A 53 3.799 -2.505 -1.538 1.00 0.00 C ATOM 800 CE LYS A 53 2.599 -2.058 -0.701 1.00 0.00 C ATOM 801 NZ LYS A 53 1.316 -2.460 -1.307 1.00 0.00 N ATOM 0 H LYS A 53 5.243 -2.909 -4.070 1.00 0.00 H new ATOM 0 HA LYS A 53 6.538 -0.486 -3.175 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.310 -3.251 -1.938 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.182 -1.926 -1.193 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.190 -1.804 -0.059 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.883 -0.659 -1.350 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.589 -2.354 -2.597 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.973 -3.572 -1.397 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.676 -2.485 0.299 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.621 -0.974 -0.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.755 -2.993 -0.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.790 -1.612 -1.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.497 -3.059 -2.138 1.00 0.00 H new ATOM 815 N VAL A 54 8.364 -2.038 -4.961 1.00 0.00 N ATOM 816 CA VAL A 54 9.637 -2.587 -5.440 1.00 0.00 C ATOM 817 C VAL A 54 10.289 -1.706 -6.504 1.00 0.00 C ATOM 818 O VAL A 54 9.611 -0.970 -7.228 1.00 0.00 O ATOM 819 CB VAL A 54 9.355 -3.995 -5.986 1.00 0.00 C ATOM 820 CG1 VAL A 54 8.160 -3.946 -6.922 1.00 0.00 C ATOM 821 CG2 VAL A 54 10.540 -4.646 -6.694 1.00 0.00 C ATOM 0 H VAL A 54 7.722 -1.782 -5.711 1.00 0.00 H new ATOM 0 HA VAL A 54 10.348 -2.626 -4.615 1.00 0.00 H new ATOM 0 HB VAL A 54 9.148 -4.621 -5.118 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.960 -4.945 -7.309 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.287 -3.586 -6.378 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.375 -3.272 -7.751 1.00 0.00 H new ATOM 0 HG21 VAL A 54 10.253 -5.636 -7.047 1.00 0.00 H new ATOM 0 HG22 VAL A 54 10.840 -4.031 -7.542 1.00 0.00 H new ATOM 0 HG23 VAL A 54 11.374 -4.736 -5.999 1.00 0.00 H new ATOM 831 N LYS A 55 11.609 -1.844 -6.656 1.00 0.00 N ATOM 832 CA LYS A 55 12.446 -1.229 -7.674 1.00 0.00 C ATOM 833 C LYS A 55 13.550 -2.228 -8.016 1.00 0.00 C ATOM 834 O LYS A 55 14.226 -2.737 -7.116 1.00 0.00 O ATOM 835 CB LYS A 55 13.087 0.038 -7.111 1.00 0.00 C ATOM 836 CG LYS A 55 12.092 1.047 -6.546 1.00 0.00 C ATOM 837 CD LYS A 55 11.368 1.938 -7.570 1.00 0.00 C ATOM 838 CE LYS A 55 12.292 3.113 -7.910 1.00 0.00 C ATOM 839 NZ LYS A 55 11.624 4.210 -8.640 1.00 0.00 N ATOM 0 H LYS A 55 12.153 -2.431 -6.023 1.00 0.00 H new ATOM 0 HA LYS A 55 11.856 -0.971 -8.553 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.788 -0.242 -6.325 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.667 0.519 -7.899 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.340 0.503 -5.974 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.620 1.692 -5.844 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.128 1.369 -8.468 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.425 2.300 -7.161 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.714 3.509 -6.986 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.125 2.745 -8.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.311 4.966 -8.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.244 3.849 -9.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.846 4.588 -8.062 1.00 0.00 H new ATOM 853 N GLY A 56 13.739 -2.467 -9.308 1.00 0.00 N ATOM 854 CA GLY A 56 14.902 -3.109 -9.912 1.00 0.00 C ATOM 855 C GLY A 56 15.394 -4.400 -9.247 1.00 0.00 C ATOM 856 O GLY A 56 16.601 -4.523 -9.035 1.00 0.00 O ATOM 0 H GLY A 56 13.043 -2.202 -10.005 1.00 0.00 H new ATOM 0 HA2 GLY A 56 14.667 -3.330 -10.953 1.00 0.00 H new ATOM 0 HA3 GLY A 56 15.724 -2.393 -9.915 1.00 0.00 H new ATOM 860 N MET A 57 14.487 -5.328 -8.897 1.00 0.00 N ATOM 861 CA MET A 57 14.859 -6.556 -8.191 1.00 0.00 C ATOM 862 C MET A 57 15.867 -7.379 -8.998 1.00 0.00 C ATOM 863 O MET A 57 15.658 -7.597 -10.194 1.00 0.00 O ATOM 864 CB MET A 57 13.625 -7.423 -7.851 1.00 0.00 C ATOM 865 CG MET A 57 14.099 -8.672 -7.079 1.00 0.00 C ATOM 866 SD MET A 57 13.026 -9.452 -5.847 1.00 0.00 S ATOM 867 CE MET A 57 11.510 -9.551 -6.796 1.00 0.00 C ATOM 0 H MET A 57 13.490 -5.246 -9.094 1.00 0.00 H new ATOM 0 HA MET A 57 15.326 -6.248 -7.255 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.916 -6.853 -7.250 1.00 0.00 H new ATOM 0 HB3 MET A 57 13.106 -7.717 -8.763 1.00 0.00 H new ATOM 0 HG2 MET A 57 14.346 -9.433 -7.819 1.00 0.00 H new ATOM 0 HG3 MET A 57 15.028 -8.405 -6.574 1.00 0.00 H new ATOM 0 HE1 MET A 57 10.721 -9.978 -6.177 1.00 0.00 H new ATOM 0 HE2 MET A 57 11.217 -8.552 -7.120 1.00 0.00 H new ATOM 0 HE3 MET A 57 11.668 -10.184 -7.669 1.00 0.00 H new ATOM 877 N VAL A 58 16.891 -7.913 -8.331 1.00 0.00 N ATOM 878 CA VAL A 58 17.892 -8.806 -8.898 1.00 0.00 C ATOM 879 C VAL A 58 18.204 -9.949 -7.926 1.00 0.00 C ATOM 880 O VAL A 58 17.738 -9.991 -6.786 1.00 0.00 O ATOM 881 CB VAL A 58 19.148 -7.999 -9.297 1.00 0.00 C ATOM 882 CG1 VAL A 58 18.874 -7.162 -10.548 1.00 0.00 C ATOM 883 CG2 VAL A 58 19.676 -7.075 -8.188 1.00 0.00 C ATOM 0 H VAL A 58 17.048 -7.725 -7.341 1.00 0.00 H new ATOM 0 HA VAL A 58 17.502 -9.268 -9.805 1.00 0.00 H new ATOM 0 HB VAL A 58 19.920 -8.744 -9.490 1.00 0.00 H new ATOM 0 HG11 VAL A 58 19.770 -6.601 -10.814 1.00 0.00 H new ATOM 0 HG12 VAL A 58 18.600 -7.820 -11.373 1.00 0.00 H new ATOM 0 HG13 VAL A 58 18.057 -6.468 -10.350 1.00 0.00 H new ATOM 0 HG21 VAL A 58 20.558 -6.544 -8.546 1.00 0.00 H new ATOM 0 HG22 VAL A 58 18.904 -6.355 -7.916 1.00 0.00 H new ATOM 0 HG23 VAL A 58 19.941 -7.670 -7.314 1.00 0.00 H new ATOM 893 N PHE A 59 18.964 -10.929 -8.404 1.00 0.00 N ATOM 894 CA PHE A 59 19.482 -12.025 -7.596 1.00 0.00 C ATOM 895 C PHE A 59 20.736 -11.619 -6.830 1.00 0.00 C ATOM 896 O PHE A 59 21.605 -10.909 -7.351 1.00 0.00 O ATOM 897 CB PHE A 59 19.728 -13.235 -8.503 1.00 0.00 C ATOM 898 CG PHE A 59 18.489 -14.091 -8.665 1.00 0.00 C ATOM 899 CD1 PHE A 59 17.450 -13.675 -9.517 1.00 0.00 C ATOM 900 CD2 PHE A 59 18.341 -15.270 -7.910 1.00 0.00 C ATOM 901 CE1 PHE A 59 16.265 -14.424 -9.600 1.00 0.00 C ATOM 902 CE2 PHE A 59 17.153 -16.018 -8.001 1.00 0.00 C ATOM 903 CZ PHE A 59 16.107 -15.594 -8.842 1.00 0.00 C ATOM 0 H PHE A 59 19.242 -10.984 -9.384 1.00 0.00 H new ATOM 0 HA PHE A 59 18.745 -12.294 -6.839 1.00 0.00 H new ATOM 0 HB2 PHE A 59 20.060 -12.891 -9.482 1.00 0.00 H new ATOM 0 HB3 PHE A 59 20.534 -13.840 -8.088 1.00 0.00 H new ATOM 0 HD1 PHE A 59 17.564 -12.778 -10.108 1.00 0.00 H new ATOM 0 HD2 PHE A 59 19.139 -15.600 -7.261 1.00 0.00 H new ATOM 0 HE1 PHE A 59 15.469 -14.097 -10.252 1.00 0.00 H new ATOM 0 HE2 PHE A 59 17.043 -16.923 -7.422 1.00 0.00 H new ATOM 0 HZ PHE A 59 15.192 -16.164 -8.903 1.00 0.00 H new ATOM 913 N LEU A 60 20.832 -12.136 -5.602 1.00 0.00 N ATOM 914 CA LEU A 60 22.034 -12.093 -4.781 1.00 0.00 C ATOM 915 C LEU A 60 23.108 -12.965 -5.435 1.00 0.00 C ATOM 916 O LEU A 60 22.870 -13.643 -6.435 1.00 0.00 O ATOM 917 CB LEU A 60 21.715 -12.583 -3.348 1.00 0.00 C ATOM 918 CG LEU A 60 20.972 -11.555 -2.478 1.00 0.00 C ATOM 919 CD1 LEU A 60 20.472 -12.193 -1.175 1.00 0.00 C ATOM 920 CD2 LEU A 60 21.878 -10.387 -2.086 1.00 0.00 C ATOM 0 H LEU A 60 20.052 -12.608 -5.144 1.00 0.00 H new ATOM 0 HA LEU A 60 22.402 -11.070 -4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 60 21.113 -13.490 -3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 60 22.648 -12.854 -2.853 1.00 0.00 H new ATOM 0 HG LEU A 60 20.136 -11.198 -3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 60 19.951 -11.444 -0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 60 19.789 -13.010 -1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 60 21.320 -12.579 -0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 60 21.318 -9.682 -1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 60 22.731 -10.762 -1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 60 22.232 -9.883 -2.985 1.00 0.00 H new ATOM 932 N LYS A 61 24.295 -12.984 -4.828 1.00 0.00 N ATOM 933 CA LYS A 61 25.501 -13.598 -5.381 1.00 0.00 C ATOM 934 C LYS A 61 25.398 -15.095 -5.661 1.00 0.00 C ATOM 935 O LYS A 61 26.332 -15.656 -6.229 1.00 0.00 O ATOM 936 CB LYS A 61 26.726 -13.353 -4.477 1.00 0.00 C ATOM 937 CG LYS A 61 26.792 -12.011 -3.728 1.00 0.00 C ATOM 938 CD LYS A 61 26.258 -12.116 -2.289 1.00 0.00 C ATOM 939 CE LYS A 61 27.260 -12.880 -1.420 1.00 0.00 C ATOM 940 NZ LYS A 61 26.937 -12.822 0.021 1.00 0.00 N ATOM 0 H LYS A 61 24.448 -12.561 -3.913 1.00 0.00 H new ATOM 0 HA LYS A 61 25.622 -13.102 -6.344 1.00 0.00 H new ATOM 0 HB2 LYS A 61 26.766 -14.154 -3.739 1.00 0.00 H new ATOM 0 HB3 LYS A 61 27.622 -13.441 -5.092 1.00 0.00 H new ATOM 0 HG2 LYS A 61 27.824 -11.661 -3.705 1.00 0.00 H new ATOM 0 HG3 LYS A 61 26.214 -11.265 -4.273 1.00 0.00 H new ATOM 0 HD2 LYS A 61 26.092 -11.120 -1.879 1.00 0.00 H new ATOM 0 HD3 LYS A 61 25.295 -12.627 -2.285 1.00 0.00 H new ATOM 0 HE2 LYS A 61 27.288 -13.922 -1.739 1.00 0.00 H new ATOM 0 HE3 LYS A 61 28.257 -12.471 -1.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 27.649 -13.356 0.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 26.936 -11.831 0.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 25.998 -13.238 0.183 1.00 0.00 H new ATOM 954 N GLY A 62 24.331 -15.758 -5.237 1.00 0.00 N ATOM 955 CA GLY A 62 24.111 -17.187 -5.353 1.00 0.00 C ATOM 956 C GLY A 62 22.616 -17.442 -5.459 1.00 0.00 C ATOM 957 O GLY A 62 21.815 -16.630 -4.980 1.00 0.00 O ATOM 0 H GLY A 62 23.554 -15.283 -4.777 1.00 0.00 H new ATOM 0 HA2 GLY A 62 24.624 -17.578 -6.231 1.00 0.00 H new ATOM 0 HA3 GLY A 62 24.522 -17.704 -4.486 1.00 0.00 H new ATOM 961 N LYS A 63 22.247 -18.585 -6.039 1.00 0.00 N ATOM 962 CA LYS A 63 20.898 -18.916 -6.522 1.00 0.00 C ATOM 963 C LYS A 63 19.860 -19.099 -5.396 1.00 0.00 C ATOM 964 O LYS A 63 18.761 -19.587 -5.643 1.00 0.00 O ATOM 965 CB LYS A 63 21.034 -20.152 -7.441 1.00 0.00 C ATOM 966 CG LYS A 63 20.046 -20.187 -8.622 1.00 0.00 C ATOM 967 CD LYS A 63 20.276 -21.426 -9.509 1.00 0.00 C ATOM 968 CE LYS A 63 19.313 -21.460 -10.705 1.00 0.00 C ATOM 969 NZ LYS A 63 19.004 -22.840 -11.142 1.00 0.00 N ATOM 0 H LYS A 63 22.910 -19.344 -6.194 1.00 0.00 H new ATOM 0 HA LYS A 63 20.495 -18.075 -7.086 1.00 0.00 H new ATOM 0 HB2 LYS A 63 22.050 -20.186 -7.834 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.894 -21.051 -6.841 1.00 0.00 H new ATOM 0 HG2 LYS A 63 19.024 -20.193 -8.244 1.00 0.00 H new ATOM 0 HG3 LYS A 63 20.159 -19.283 -9.220 1.00 0.00 H new ATOM 0 HD2 LYS A 63 21.304 -21.428 -9.871 1.00 0.00 H new ATOM 0 HD3 LYS A 63 20.146 -22.329 -8.912 1.00 0.00 H new ATOM 0 HE2 LYS A 63 18.387 -20.951 -10.437 1.00 0.00 H new ATOM 0 HE3 LYS A 63 19.751 -20.908 -11.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.663 -22.825 -12.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 19.863 -23.424 -11.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.269 -23.243 -10.527 1.00 0.00 H new ATOM 983 N LEU A 64 20.206 -18.746 -4.154 1.00 0.00 N ATOM 984 CA LEU A 64 19.495 -19.026 -2.908 1.00 0.00 C ATOM 985 C LEU A 64 19.129 -17.709 -2.190 1.00 0.00 C ATOM 986 O LEU A 64 19.050 -17.672 -0.961 1.00 0.00 O ATOM 987 CB LEU A 64 20.354 -19.936 -1.994 1.00 0.00 C ATOM 988 CG LEU A 64 21.261 -21.007 -2.641 1.00 0.00 C ATOM 989 CD1 LEU A 64 22.188 -21.593 -1.580 1.00 0.00 C ATOM 990 CD2 LEU A 64 20.472 -22.143 -3.290 1.00 0.00 C ATOM 0 H LEU A 64 21.060 -18.214 -3.983 1.00 0.00 H new ATOM 0 HA LEU A 64 18.570 -19.553 -3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 64 20.989 -19.289 -1.389 1.00 0.00 H new ATOM 0 HB3 LEU A 64 19.677 -20.448 -1.310 1.00 0.00 H new ATOM 0 HG LEU A 64 21.828 -20.510 -3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 64 22.829 -22.349 -2.034 1.00 0.00 H new ATOM 0 HD12 LEU A 64 22.805 -20.800 -1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 64 21.593 -22.049 -0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 64 21.164 -22.863 -3.727 1.00 0.00 H new ATOM 0 HD22 LEU A 64 19.861 -22.639 -2.536 1.00 0.00 H new ATOM 0 HD23 LEU A 64 19.828 -21.739 -4.071 1.00 0.00 H new ATOM 1002 N GLY A 65 18.977 -16.585 -2.901 1.00 0.00 N ATOM 1003 CA GLY A 65 18.434 -15.356 -2.329 1.00 0.00 C ATOM 1004 C GLY A 65 18.383 -14.248 -3.382 1.00 0.00 C ATOM 1005 O GLY A 65 19.018 -14.369 -4.432 1.00 0.00 O ATOM 0 H GLY A 65 19.228 -16.506 -3.887 1.00 0.00 H new ATOM 0 HA2 GLY A 65 17.433 -15.541 -1.940 1.00 0.00 H new ATOM 0 HA3 GLY A 65 19.049 -15.037 -1.488 1.00 0.00 H new ATOM 1009 N VAL A 66 17.669 -13.155 -3.104 1.00 0.00 N ATOM 1010 CA VAL A 66 17.422 -12.043 -4.026 1.00 0.00 C ATOM 1011 C VAL A 66 17.469 -10.712 -3.257 1.00 0.00 C ATOM 1012 O VAL A 66 17.393 -10.705 -2.024 1.00 0.00 O ATOM 1013 CB VAL A 66 16.080 -12.289 -4.760 1.00 0.00 C ATOM 1014 CG1 VAL A 66 16.239 -13.291 -5.920 1.00 0.00 C ATOM 1015 CG2 VAL A 66 14.889 -12.404 -3.795 1.00 0.00 C ATOM 0 H VAL A 66 17.229 -13.014 -2.194 1.00 0.00 H new ATOM 0 HA VAL A 66 18.198 -11.982 -4.789 1.00 0.00 H new ATOM 0 HB VAL A 66 15.774 -11.398 -5.309 1.00 0.00 H new ATOM 0 HG11 VAL A 66 15.276 -13.437 -6.409 1.00 0.00 H new ATOM 0 HG12 VAL A 66 16.957 -12.902 -6.641 1.00 0.00 H new ATOM 0 HG13 VAL A 66 16.596 -14.244 -5.531 1.00 0.00 H new ATOM 0 HG21 VAL A 66 13.975 -12.576 -4.364 1.00 0.00 H new ATOM 0 HG22 VAL A 66 15.053 -13.237 -3.112 1.00 0.00 H new ATOM 0 HG23 VAL A 66 14.793 -11.480 -3.224 1.00 0.00 H new ATOM 1025 N CYS A 67 17.582 -9.586 -3.957 1.00 0.00 N ATOM 1026 CA CYS A 67 17.721 -8.240 -3.405 1.00 0.00 C ATOM 1027 C CYS A 67 16.869 -7.272 -4.243 1.00 0.00 C ATOM 1028 O CYS A 67 16.855 -7.379 -5.471 1.00 0.00 O ATOM 1029 CB CYS A 67 19.202 -7.820 -3.380 1.00 0.00 C ATOM 1030 SG CYS A 67 20.191 -8.564 -4.713 1.00 0.00 S ATOM 0 H CYS A 67 17.579 -9.587 -4.977 1.00 0.00 H new ATOM 0 HA CYS A 67 17.365 -8.219 -2.375 1.00 0.00 H new ATOM 0 HB2 CYS A 67 19.265 -6.734 -3.455 1.00 0.00 H new ATOM 0 HB3 CYS A 67 19.634 -8.099 -2.419 1.00 0.00 H new ATOM 0 HG CYS A 67 19.398 -9.067 -5.612 1.00 0.00 H new ATOM 1036 N PHE A 68 16.134 -6.347 -3.617 1.00 0.00 N ATOM 1037 CA PHE A 68 15.392 -5.286 -4.308 1.00 0.00 C ATOM 1038 C PHE A 68 15.311 -4.053 -3.415 1.00 0.00 C ATOM 1039 O PHE A 68 15.471 -4.157 -2.199 1.00 0.00 O ATOM 1040 CB PHE A 68 13.989 -5.737 -4.783 1.00 0.00 C ATOM 1041 CG PHE A 68 12.985 -6.182 -3.738 1.00 0.00 C ATOM 1042 CD1 PHE A 68 13.238 -7.369 -3.035 1.00 0.00 C ATOM 1043 CD2 PHE A 68 11.783 -5.485 -3.489 1.00 0.00 C ATOM 1044 CE1 PHE A 68 12.433 -7.742 -1.948 1.00 0.00 C ATOM 1045 CE2 PHE A 68 10.966 -5.875 -2.415 1.00 0.00 C ATOM 1046 CZ PHE A 68 11.317 -6.970 -1.613 1.00 0.00 C ATOM 0 H PHE A 68 16.036 -6.313 -2.602 1.00 0.00 H new ATOM 0 HA PHE A 68 15.941 -5.037 -5.216 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.545 -4.912 -5.340 1.00 0.00 H new ATOM 0 HB3 PHE A 68 14.124 -6.559 -5.485 1.00 0.00 H new ATOM 0 HD1 PHE A 68 14.061 -8.002 -3.333 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.494 -4.658 -4.120 1.00 0.00 H new ATOM 0 HE1 PHE A 68 12.675 -8.623 -1.372 1.00 0.00 H new ATOM 0 HE2 PHE A 68 10.060 -5.327 -2.205 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.728 -7.216 -0.741 1.00 0.00 H new ATOM 1056 N ASP A 69 15.053 -2.900 -4.031 1.00 0.00 N ATOM 1057 CA ASP A 69 14.897 -1.620 -3.347 1.00 0.00 C ATOM 1058 C ASP A 69 13.414 -1.364 -3.145 1.00 0.00 C ATOM 1059 O ASP A 69 12.614 -1.659 -4.039 1.00 0.00 O ATOM 1060 CB ASP A 69 15.518 -0.490 -4.183 1.00 0.00 C ATOM 1061 CG ASP A 69 16.963 -0.197 -3.810 1.00 0.00 C ATOM 1062 OD1 ASP A 69 17.238 -0.024 -2.609 1.00 0.00 O ATOM 1063 OD2 ASP A 69 17.807 -0.130 -4.741 1.00 0.00 O ATOM 0 H ASP A 69 14.944 -2.830 -5.043 1.00 0.00 H new ATOM 0 HA ASP A 69 15.407 -1.650 -2.384 1.00 0.00 H new ATOM 0 HB2 ASP A 69 15.469 -0.758 -5.238 1.00 0.00 H new ATOM 0 HB3 ASP A 69 14.925 0.416 -4.056 1.00 0.00 H new ATOM 1068 N VAL A 70 13.041 -0.803 -1.992 1.00 0.00 N ATOM 1069 CA VAL A 70 11.645 -0.592 -1.624 1.00 0.00 C ATOM 1070 C VAL A 70 11.458 0.844 -1.090 1.00 0.00 C ATOM 1071 O VAL A 70 12.419 1.424 -0.574 1.00 0.00 O ATOM 1072 CB VAL A 70 11.245 -1.676 -0.600 1.00 0.00 C ATOM 1073 CG1 VAL A 70 11.535 -3.087 -1.118 1.00 0.00 C ATOM 1074 CG2 VAL A 70 11.883 -1.519 0.784 1.00 0.00 C ATOM 0 H VAL A 70 13.704 -0.482 -1.287 1.00 0.00 H new ATOM 0 HA VAL A 70 10.987 -0.687 -2.488 1.00 0.00 H new ATOM 0 HB VAL A 70 10.172 -1.531 -0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 70 11.239 -3.819 -0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 70 10.972 -3.261 -2.035 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.601 -3.188 -1.322 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.544 -2.325 1.435 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.968 -1.560 0.691 1.00 0.00 H new ATOM 0 HG23 VAL A 70 11.592 -0.560 1.212 1.00 0.00 H new ATOM 1084 N PRO A 71 10.271 1.470 -1.219 1.00 0.00 N ATOM 1085 CA PRO A 71 10.051 2.843 -0.772 1.00 0.00 C ATOM 1086 C PRO A 71 10.173 2.918 0.742 1.00 0.00 C ATOM 1087 O PRO A 71 9.592 2.084 1.444 1.00 0.00 O ATOM 1088 CB PRO A 71 8.630 3.211 -1.211 1.00 0.00 C ATOM 1089 CG PRO A 71 7.930 1.864 -1.359 1.00 0.00 C ATOM 1090 CD PRO A 71 9.054 0.928 -1.796 1.00 0.00 C ATOM 0 HA PRO A 71 10.785 3.528 -1.196 1.00 0.00 H new ATOM 0 HB2 PRO A 71 8.134 3.840 -0.472 1.00 0.00 H new ATOM 0 HB3 PRO A 71 8.633 3.765 -2.150 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.479 1.540 -0.421 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.131 1.905 -2.099 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.874 -0.088 -1.445 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.124 0.882 -2.883 1.00 0.00 H new ATOM 1098 N THR A 72 10.857 3.934 1.265 1.00 0.00 N ATOM 1099 CA THR A 72 11.001 4.087 2.710 1.00 0.00 C ATOM 1100 C THR A 72 9.638 4.193 3.404 1.00 0.00 C ATOM 1101 O THR A 72 9.458 3.608 4.468 1.00 0.00 O ATOM 1102 CB THR A 72 11.903 5.279 3.019 1.00 0.00 C ATOM 1103 OG1 THR A 72 13.091 5.179 2.263 1.00 0.00 O ATOM 1104 CG2 THR A 72 12.272 5.357 4.497 1.00 0.00 C ATOM 0 H THR A 72 11.317 4.658 0.714 1.00 0.00 H new ATOM 0 HA THR A 72 11.477 3.192 3.111 1.00 0.00 H new ATOM 0 HB THR A 72 11.348 6.181 2.759 1.00 0.00 H new ATOM 0 HG1 THR A 72 13.382 6.074 1.992 1.00 0.00 H new ATOM 0 HG21 THR A 72 12.914 6.221 4.667 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.365 5.456 5.094 1.00 0.00 H new ATOM 0 HG23 THR A 72 12.801 4.449 4.788 1.00 0.00 H new ATOM 1112 N ALA A 73 8.653 4.849 2.778 1.00 0.00 N ATOM 1113 CA ALA A 73 7.310 4.959 3.336 1.00 0.00 C ATOM 1114 C ALA A 73 6.566 3.621 3.429 1.00 0.00 C ATOM 1115 O ALA A 73 5.462 3.609 3.977 1.00 0.00 O ATOM 1116 CB ALA A 73 6.504 5.978 2.537 1.00 0.00 C ATOM 0 H ALA A 73 8.768 5.314 1.877 1.00 0.00 H new ATOM 0 HA ALA A 73 7.423 5.299 4.365 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.501 6.058 2.956 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.996 6.949 2.585 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.438 5.656 1.498 1.00 0.00 H new ATOM 1122 N SER A 74 7.109 2.507 2.923 1.00 0.00 N ATOM 1123 CA SER A 74 6.576 1.189 3.203 1.00 0.00 C ATOM 1124 C SER A 74 7.618 0.190 3.746 1.00 0.00 C ATOM 1125 O SER A 74 7.294 -0.988 3.879 1.00 0.00 O ATOM 1126 CB SER A 74 5.830 0.703 1.964 1.00 0.00 C ATOM 1127 OG SER A 74 4.901 1.673 1.501 1.00 0.00 O ATOM 0 H SER A 74 7.926 2.504 2.312 1.00 0.00 H new ATOM 0 HA SER A 74 5.872 1.261 4.032 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.545 0.476 1.173 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.305 -0.224 2.195 1.00 0.00 H new ATOM 0 HG SER A 74 4.441 1.332 0.706 1.00 0.00 H new ATOM 1133 N VAL A 75 8.859 0.601 4.051 1.00 0.00 N ATOM 1134 CA VAL A 75 9.886 -0.253 4.680 1.00 0.00 C ATOM 1135 C VAL A 75 9.335 -0.858 5.972 1.00 0.00 C ATOM 1136 O VAL A 75 9.188 -2.077 6.073 1.00 0.00 O ATOM 1137 CB VAL A 75 11.194 0.541 4.936 1.00 0.00 C ATOM 1138 CG1 VAL A 75 12.182 -0.135 5.906 1.00 0.00 C ATOM 1139 CG2 VAL A 75 11.965 0.730 3.630 1.00 0.00 C ATOM 0 H VAL A 75 9.185 1.550 3.866 1.00 0.00 H new ATOM 0 HA VAL A 75 10.135 -1.065 3.997 1.00 0.00 H new ATOM 0 HB VAL A 75 10.852 1.477 5.377 1.00 0.00 H new ATOM 0 HG11 VAL A 75 13.065 0.493 6.023 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.704 -0.272 6.876 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.477 -1.105 5.507 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.880 1.289 3.825 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.217 -0.245 3.212 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.348 1.281 2.920 1.00 0.00 H new ATOM 1149 N THR A 76 9.033 -0.010 6.951 1.00 0.00 N ATOM 1150 CA THR A 76 8.609 -0.413 8.279 1.00 0.00 C ATOM 1151 C THR A 76 7.319 -1.233 8.183 1.00 0.00 C ATOM 1152 O THR A 76 7.143 -2.201 8.922 1.00 0.00 O ATOM 1153 CB THR A 76 8.476 0.868 9.134 1.00 0.00 C ATOM 1154 OG1 THR A 76 9.714 1.565 9.135 1.00 0.00 O ATOM 1155 CG2 THR A 76 8.093 0.626 10.591 1.00 0.00 C ATOM 0 H THR A 76 9.079 1.002 6.835 1.00 0.00 H new ATOM 0 HA THR A 76 9.335 -1.065 8.764 1.00 0.00 H new ATOM 0 HB THR A 76 7.668 1.436 8.673 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.631 2.378 9.675 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.023 1.581 11.112 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.130 0.118 10.634 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.852 0.007 11.069 1.00 0.00 H new ATOM 1163 N GLU A 77 6.466 -0.911 7.208 1.00 0.00 N ATOM 1164 CA GLU A 77 5.235 -1.636 6.938 1.00 0.00 C ATOM 1165 C GLU A 77 5.506 -3.117 6.658 1.00 0.00 C ATOM 1166 O GLU A 77 4.816 -3.966 7.218 1.00 0.00 O ATOM 1167 CB GLU A 77 4.436 -1.003 5.811 1.00 0.00 C ATOM 1168 CG GLU A 77 4.262 0.520 5.911 1.00 0.00 C ATOM 1169 CD GLU A 77 3.459 0.994 7.120 1.00 0.00 C ATOM 1170 OE1 GLU A 77 2.586 0.245 7.617 1.00 0.00 O ATOM 1171 OE2 GLU A 77 3.718 2.125 7.584 1.00 0.00 O ATOM 0 H GLU A 77 6.619 -0.125 6.577 1.00 0.00 H new ATOM 0 HA GLU A 77 4.627 -1.573 7.840 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.925 -1.236 4.865 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.449 -1.465 5.782 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.248 0.983 5.943 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.772 0.876 5.005 1.00 0.00 H new ATOM 1178 N ILE A 78 6.500 -3.430 5.813 1.00 0.00 N ATOM 1179 CA ILE A 78 6.875 -4.804 5.469 1.00 0.00 C ATOM 1180 C ILE A 78 7.438 -5.470 6.714 1.00 0.00 C ATOM 1181 O ILE A 78 7.034 -6.581 7.039 1.00 0.00 O ATOM 1182 CB ILE A 78 7.924 -4.859 4.331 1.00 0.00 C ATOM 1183 CG1 ILE A 78 7.421 -4.209 3.029 1.00 0.00 C ATOM 1184 CG2 ILE A 78 8.346 -6.310 4.021 1.00 0.00 C ATOM 1185 CD1 ILE A 78 8.580 -3.540 2.285 1.00 0.00 C ATOM 0 H ILE A 78 7.071 -2.726 5.346 1.00 0.00 H new ATOM 0 HA ILE A 78 5.987 -5.325 5.111 1.00 0.00 H new ATOM 0 HB ILE A 78 8.781 -4.293 4.697 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.959 -4.964 2.393 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.652 -3.471 3.257 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.083 -6.311 3.218 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.781 -6.761 4.913 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.473 -6.885 3.713 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.209 -3.085 1.367 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.023 -2.771 2.918 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.335 -4.287 2.040 1.00 0.00 H new ATOM 1197 N GLN A 79 8.382 -4.810 7.388 1.00 0.00 N ATOM 1198 CA GLN A 79 9.130 -5.427 8.473 1.00 0.00 C ATOM 1199 C GLN A 79 8.198 -5.827 9.624 1.00 0.00 C ATOM 1200 O GLN A 79 8.413 -6.872 10.234 1.00 0.00 O ATOM 1201 CB GLN A 79 10.281 -4.512 8.907 1.00 0.00 C ATOM 1202 CG GLN A 79 11.287 -4.204 7.777 1.00 0.00 C ATOM 1203 CD GLN A 79 12.140 -5.379 7.288 1.00 0.00 C ATOM 1204 OE1 GLN A 79 11.649 -6.452 6.947 1.00 0.00 O ATOM 1205 NE2 GLN A 79 13.449 -5.203 7.168 1.00 0.00 N ATOM 0 H GLN A 79 8.644 -3.843 7.196 1.00 0.00 H new ATOM 0 HA GLN A 79 9.582 -6.354 8.122 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.868 -3.575 9.279 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.812 -4.979 9.737 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.734 -3.805 6.926 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.956 -3.415 8.120 1.00 0.00 H new ATOM 0 HE21 GLN A 79 13.872 -4.318 7.447 1.00 0.00 H new ATOM 0 HE22 GLN A 79 14.033 -5.953 6.797 1.00 0.00 H new ATOM 1214 N GLU A 80 7.135 -5.062 9.896 1.00 0.00 N ATOM 1215 CA GLU A 80 6.115 -5.414 10.856 1.00 0.00 C ATOM 1216 C GLU A 80 5.142 -6.485 10.326 1.00 0.00 C ATOM 1217 O GLU A 80 4.560 -7.246 11.102 1.00 0.00 O ATOM 1218 CB GLU A 80 5.350 -4.120 11.168 1.00 0.00 C ATOM 1219 CG GLU A 80 4.857 -4.140 12.605 1.00 0.00 C ATOM 1220 CD GLU A 80 3.506 -3.440 12.763 1.00 0.00 C ATOM 1221 OE1 GLU A 80 3.449 -2.192 12.754 1.00 0.00 O ATOM 1222 OE2 GLU A 80 2.471 -4.147 12.837 1.00 0.00 O ATOM 0 H GLU A 80 6.968 -4.165 9.439 1.00 0.00 H new ATOM 0 HA GLU A 80 6.581 -5.845 11.742 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.998 -3.258 11.009 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.506 -4.014 10.487 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.771 -5.173 12.943 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.593 -3.655 13.246 1.00 0.00 H new ATOM 1229 N LYS A 81 4.935 -6.541 9.006 1.00 0.00 N ATOM 1230 CA LYS A 81 4.075 -7.510 8.327 1.00 0.00 C ATOM 1231 C LYS A 81 4.916 -8.651 7.775 1.00 0.00 C ATOM 1232 O LYS A 81 4.696 -9.107 6.661 1.00 0.00 O ATOM 1233 CB LYS A 81 3.286 -6.848 7.191 1.00 0.00 C ATOM 1234 CG LYS A 81 2.207 -5.908 7.708 1.00 0.00 C ATOM 1235 CD LYS A 81 1.312 -5.309 6.625 1.00 0.00 C ATOM 1236 CE LYS A 81 2.102 -4.423 5.663 1.00 0.00 C ATOM 1237 NZ LYS A 81 1.191 -3.695 4.764 1.00 0.00 N ATOM 0 H LYS A 81 5.379 -5.888 8.360 1.00 0.00 H new ATOM 0 HA LYS A 81 3.363 -7.901 9.054 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.972 -6.293 6.551 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.827 -7.620 6.573 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.582 -6.449 8.419 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.684 -5.096 8.257 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.829 -6.112 6.067 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.519 -4.723 7.091 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.708 -3.714 6.227 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.788 -5.034 5.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.745 -3.098 4.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.630 -4.376 4.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.553 -3.097 5.327 1.00 0.00 H new ATOM 1251 N TRP A 82 5.909 -9.112 8.512 1.00 0.00 N ATOM 1252 CA TRP A 82 6.642 -10.306 8.162 1.00 0.00 C ATOM 1253 C TRP A 82 7.287 -10.808 9.449 1.00 0.00 C ATOM 1254 O TRP A 82 8.046 -10.098 10.109 1.00 0.00 O ATOM 1255 CB TRP A 82 7.694 -9.976 7.104 1.00 0.00 C ATOM 1256 CG TRP A 82 8.493 -11.169 6.728 1.00 0.00 C ATOM 1257 CD1 TRP A 82 9.576 -11.591 7.402 1.00 0.00 C ATOM 1258 CD2 TRP A 82 8.273 -12.138 5.663 1.00 0.00 C ATOM 1259 NE1 TRP A 82 10.069 -12.730 6.815 1.00 0.00 N ATOM 1260 CE2 TRP A 82 9.276 -13.146 5.767 1.00 0.00 C ATOM 1261 CE3 TRP A 82 7.350 -12.268 4.606 1.00 0.00 C ATOM 1262 CZ2 TRP A 82 9.371 -14.209 4.854 1.00 0.00 C ATOM 1263 CZ3 TRP A 82 7.401 -13.354 3.711 1.00 0.00 C ATOM 1264 CH2 TRP A 82 8.421 -14.315 3.821 1.00 0.00 C ATOM 0 H TRP A 82 6.228 -8.665 9.372 1.00 0.00 H new ATOM 0 HA TRP A 82 5.993 -11.073 7.739 1.00 0.00 H new ATOM 0 HB2 TRP A 82 7.204 -9.573 6.218 1.00 0.00 H new ATOM 0 HB3 TRP A 82 8.358 -9.199 7.482 1.00 0.00 H new ATOM 0 HD1 TRP A 82 9.995 -11.108 8.273 1.00 0.00 H new ATOM 0 HE1 TRP A 82 10.917 -13.209 7.117 1.00 0.00 H new ATOM 0 HE3 TRP A 82 6.585 -11.516 4.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 10.164 -14.937 4.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 6.654 -13.449 2.937 1.00 0.00 H new ATOM 0 HH2 TRP A 82 8.475 -15.131 3.116 1.00 0.00 H new ATOM 1275 N HIS A 83 6.963 -12.037 9.826 1.00 0.00 N ATOM 1276 CA HIS A 83 7.516 -12.726 10.992 1.00 0.00 C ATOM 1277 C HIS A 83 7.979 -14.102 10.516 1.00 0.00 C ATOM 1278 O HIS A 83 7.404 -15.136 10.871 1.00 0.00 O ATOM 1279 CB HIS A 83 6.494 -12.767 12.142 1.00 0.00 C ATOM 1280 CG HIS A 83 6.453 -11.511 12.986 1.00 0.00 C ATOM 1281 ND1 HIS A 83 6.773 -11.433 14.324 1.00 0.00 N ATOM 1282 CD2 HIS A 83 6.087 -10.254 12.578 1.00 0.00 C ATOM 1283 CE1 HIS A 83 6.592 -10.161 14.711 1.00 0.00 C ATOM 1284 NE2 HIS A 83 6.185 -9.400 13.682 1.00 0.00 N ATOM 0 H HIS A 83 6.286 -12.603 9.314 1.00 0.00 H new ATOM 0 HA HIS A 83 8.372 -12.197 11.411 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.502 -12.942 11.725 1.00 0.00 H new ATOM 0 HB3 HIS A 83 6.724 -13.616 12.786 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.778 -9.973 11.582 1.00 0.00 H new ATOM 0 HE1 HIS A 83 6.752 -9.798 15.715 1.00 0.00 H new ATOM 0 HE2 HIS A 83 5.987 -8.400 13.701 1.00 0.00 H new ATOM 1292 N ASP A 84 9.013 -14.089 9.672 1.00 0.00 N ATOM 1293 CA ASP A 84 9.552 -15.158 8.873 1.00 0.00 C ATOM 1294 C ASP A 84 8.471 -15.806 7.994 1.00 0.00 C ATOM 1295 O ASP A 84 7.334 -15.332 7.913 1.00 0.00 O ATOM 1296 CB ASP A 84 10.330 -16.111 9.764 1.00 0.00 C ATOM 1297 CG ASP A 84 11.509 -15.564 10.566 1.00 0.00 C ATOM 1298 OD1 ASP A 84 11.724 -14.324 10.653 1.00 0.00 O ATOM 1299 OD2 ASP A 84 12.249 -16.402 11.122 1.00 0.00 O ATOM 0 H ASP A 84 9.541 -13.228 9.526 1.00 0.00 H new ATOM 0 HA ASP A 84 10.270 -14.769 8.150 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.627 -16.553 10.469 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.703 -16.920 9.137 1.00 0.00 H new ATOM 1304 N SER A 85 8.814 -16.880 7.292 1.00 0.00 N ATOM 1305 CA SER A 85 7.903 -17.925 6.836 1.00 0.00 C ATOM 1306 C SER A 85 8.671 -19.249 6.920 1.00 0.00 C ATOM 1307 O SER A 85 9.872 -19.240 7.203 1.00 0.00 O ATOM 1308 CB SER A 85 7.349 -17.605 5.441 1.00 0.00 C ATOM 1309 OG SER A 85 6.471 -16.500 5.542 1.00 0.00 O ATOM 0 H SER A 85 9.779 -17.055 7.012 1.00 0.00 H new ATOM 0 HA SER A 85 7.016 -17.996 7.465 1.00 0.00 H new ATOM 0 HB2 SER A 85 8.164 -17.378 4.754 1.00 0.00 H new ATOM 0 HB3 SER A 85 6.823 -18.470 5.036 1.00 0.00 H new ATOM 0 HG SER A 85 6.587 -16.069 6.414 1.00 0.00 H new ATOM 1315 N ARG A 86 8.003 -20.383 6.681 1.00 0.00 N ATOM 1316 CA ARG A 86 8.457 -21.725 7.068 1.00 0.00 C ATOM 1317 C ARG A 86 9.912 -22.012 6.680 1.00 0.00 C ATOM 1318 O ARG A 86 10.611 -22.712 7.415 1.00 0.00 O ATOM 1319 CB ARG A 86 7.469 -22.748 6.465 1.00 0.00 C ATOM 1320 CG ARG A 86 7.454 -24.124 7.136 1.00 0.00 C ATOM 1321 CD ARG A 86 8.507 -25.099 6.589 1.00 0.00 C ATOM 1322 NE ARG A 86 8.853 -26.084 7.623 1.00 0.00 N ATOM 1323 CZ ARG A 86 8.636 -27.399 7.596 1.00 0.00 C ATOM 1324 NH1 ARG A 86 8.320 -28.023 6.466 1.00 0.00 N ATOM 1325 NH2 ARG A 86 8.760 -28.102 8.712 1.00 0.00 N ATOM 0 H ARG A 86 7.104 -20.393 6.198 1.00 0.00 H new ATOM 0 HA ARG A 86 8.456 -21.802 8.155 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.464 -22.328 6.513 1.00 0.00 H new ATOM 0 HB3 ARG A 86 7.709 -22.880 5.410 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.614 -23.996 8.207 1.00 0.00 H new ATOM 0 HG3 ARG A 86 6.466 -24.566 7.012 1.00 0.00 H new ATOM 0 HD2 ARG A 86 8.122 -25.606 5.704 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.398 -24.552 6.281 1.00 0.00 H new ATOM 0 HE ARG A 86 9.312 -25.720 8.458 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.239 -27.495 5.597 1.00 0.00 H new ATOM 0 HH12 ARG A 86 8.158 -29.030 6.468 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.019 -27.637 9.582 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.596 -29.109 8.701 1.00 0.00 H new ATOM 1339 N ARG A 87 10.366 -21.490 5.538 1.00 0.00 N ATOM 1340 CA ARG A 87 11.721 -21.667 5.013 1.00 0.00 C ATOM 1341 C ARG A 87 12.380 -20.347 4.609 1.00 0.00 C ATOM 1342 O ARG A 87 13.364 -20.367 3.861 1.00 0.00 O ATOM 1343 CB ARG A 87 11.619 -22.682 3.870 1.00 0.00 C ATOM 1344 CG ARG A 87 12.919 -23.472 3.766 1.00 0.00 C ATOM 1345 CD ARG A 87 13.028 -24.144 2.408 1.00 0.00 C ATOM 1346 NE ARG A 87 13.902 -25.334 2.461 1.00 0.00 N ATOM 1347 CZ ARG A 87 13.496 -26.603 2.590 1.00 0.00 C ATOM 1348 NH1 ARG A 87 12.211 -26.927 2.480 1.00 0.00 N ATOM 1349 NH2 ARG A 87 14.389 -27.552 2.832 1.00 0.00 N ATOM 0 H ARG A 87 9.781 -20.913 4.934 1.00 0.00 H new ATOM 0 HA ARG A 87 12.387 -22.048 5.787 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.784 -23.360 4.046 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.419 -22.167 2.930 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.769 -22.806 3.918 1.00 0.00 H new ATOM 0 HG3 ARG A 87 12.958 -24.224 4.554 1.00 0.00 H new ATOM 0 HD2 ARG A 87 12.035 -24.435 2.064 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.422 -23.434 1.680 1.00 0.00 H new ATOM 0 HE ARG A 87 14.907 -25.174 2.393 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.517 -26.203 2.294 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.920 -27.899 2.581 1.00 0.00 H new ATOM 0 HH21 ARG A 87 15.377 -27.313 2.919 1.00 0.00 H new ATOM 0 HH22 ARG A 87 14.088 -28.522 2.932 1.00 0.00 H new ATOM 1363 N TRP A 88 11.846 -19.204 5.027 1.00 0.00 N ATOM 1364 CA TRP A 88 12.221 -17.897 4.503 1.00 0.00 C ATOM 1365 C TRP A 88 12.490 -16.962 5.663 1.00 0.00 C ATOM 1366 O TRP A 88 11.719 -16.925 6.622 1.00 0.00 O ATOM 1367 CB TRP A 88 11.106 -17.357 3.607 1.00 0.00 C ATOM 1368 CG TRP A 88 10.849 -18.144 2.359 1.00 0.00 C ATOM 1369 CD1 TRP A 88 10.269 -19.360 2.287 1.00 0.00 C ATOM 1370 CD2 TRP A 88 11.116 -17.759 0.983 1.00 0.00 C ATOM 1371 NE1 TRP A 88 10.183 -19.772 0.973 1.00 0.00 N ATOM 1372 CE2 TRP A 88 10.704 -18.819 0.121 1.00 0.00 C ATOM 1373 CE3 TRP A 88 11.657 -16.604 0.383 1.00 0.00 C ATOM 1374 CZ2 TRP A 88 10.873 -18.747 -1.266 1.00 0.00 C ATOM 1375 CZ3 TRP A 88 11.879 -16.543 -0.998 1.00 0.00 C ATOM 1376 CH2 TRP A 88 11.485 -17.612 -1.816 1.00 0.00 C ATOM 0 H TRP A 88 11.129 -19.160 5.751 1.00 0.00 H new ATOM 0 HA TRP A 88 13.125 -17.980 3.900 1.00 0.00 H new ATOM 0 HB2 TRP A 88 10.184 -17.316 4.187 1.00 0.00 H new ATOM 0 HB3 TRP A 88 11.352 -16.333 3.327 1.00 0.00 H new ATOM 0 HD1 TRP A 88 9.922 -19.929 3.136 1.00 0.00 H new ATOM 0 HE1 TRP A 88 9.787 -20.662 0.671 1.00 0.00 H new ATOM 0 HE3 TRP A 88 11.904 -15.752 0.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 10.538 -19.553 -1.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 12.352 -15.675 -1.432 1.00 0.00 H new ATOM 0 HH2 TRP A 88 11.655 -17.560 -2.881 1.00 0.00 H new ATOM 1387 N GLN A 89 13.571 -16.196 5.579 1.00 0.00 N ATOM 1388 CA GLN A 89 13.799 -15.048 6.434 1.00 0.00 C ATOM 1389 C GLN A 89 14.061 -13.856 5.514 1.00 0.00 C ATOM 1390 O GLN A 89 14.576 -13.995 4.402 1.00 0.00 O ATOM 1391 CB GLN A 89 14.956 -15.293 7.424 1.00 0.00 C ATOM 1392 CG GLN A 89 14.527 -16.104 8.666 1.00 0.00 C ATOM 1393 CD GLN A 89 14.796 -17.606 8.573 1.00 0.00 C ATOM 1394 OE1 GLN A 89 15.840 -18.108 8.994 1.00 0.00 O ATOM 1395 NE2 GLN A 89 13.868 -18.363 8.017 1.00 0.00 N ATOM 0 H GLN A 89 14.320 -16.360 4.906 1.00 0.00 H new ATOM 0 HA GLN A 89 12.928 -14.853 7.060 1.00 0.00 H new ATOM 0 HB2 GLN A 89 15.759 -15.822 6.911 1.00 0.00 H new ATOM 0 HB3 GLN A 89 15.361 -14.333 7.746 1.00 0.00 H new ATOM 0 HG2 GLN A 89 15.047 -15.709 9.538 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.461 -15.949 8.834 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.006 -17.942 7.671 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.013 -19.369 7.934 1.00 0.00 H new ATOM 1404 N LEU A 90 13.677 -12.681 5.988 1.00 0.00 N ATOM 1405 CA LEU A 90 13.906 -11.390 5.370 1.00 0.00 C ATOM 1406 C LEU A 90 15.039 -10.717 6.145 1.00 0.00 C ATOM 1407 O LEU A 90 15.358 -11.095 7.278 1.00 0.00 O ATOM 1408 CB LEU A 90 12.595 -10.575 5.412 1.00 0.00 C ATOM 1409 CG LEU A 90 11.953 -10.382 4.035 1.00 0.00 C ATOM 1410 CD1 LEU A 90 11.401 -11.700 3.477 1.00 0.00 C ATOM 1411 CD2 LEU A 90 10.809 -9.367 4.125 1.00 0.00 C ATOM 0 H LEU A 90 13.167 -12.602 6.868 1.00 0.00 H new ATOM 0 HA LEU A 90 14.196 -11.474 4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 90 11.885 -11.078 6.068 1.00 0.00 H new ATOM 0 HB3 LEU A 90 12.798 -9.598 5.850 1.00 0.00 H new ATOM 0 HG LEU A 90 12.730 -10.017 3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 90 10.954 -11.522 2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 90 12.212 -12.422 3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 90 10.645 -12.094 4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.359 -9.237 3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 90 10.055 -9.730 4.823 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.198 -8.411 4.475 1.00 0.00 H new ATOM 1423 N SER A 91 15.685 -9.738 5.524 1.00 0.00 N ATOM 1424 CA SER A 91 16.776 -8.940 6.070 1.00 0.00 C ATOM 1425 C SER A 91 16.857 -7.620 5.280 1.00 0.00 C ATOM 1426 O SER A 91 16.112 -7.427 4.314 1.00 0.00 O ATOM 1427 CB SER A 91 18.090 -9.737 5.981 1.00 0.00 C ATOM 1428 OG SER A 91 18.016 -10.955 6.705 1.00 0.00 O ATOM 0 H SER A 91 15.448 -9.464 4.571 1.00 0.00 H new ATOM 0 HA SER A 91 16.601 -8.709 7.121 1.00 0.00 H new ATOM 0 HB2 SER A 91 18.317 -9.948 4.936 1.00 0.00 H new ATOM 0 HB3 SER A 91 18.909 -9.132 6.369 1.00 0.00 H new ATOM 0 HG SER A 91 17.123 -11.049 7.096 1.00 0.00 H new ATOM 1434 N VAL A 92 17.752 -6.712 5.668 1.00 0.00 N ATOM 1435 CA VAL A 92 17.910 -5.378 5.086 1.00 0.00 C ATOM 1436 C VAL A 92 19.391 -5.162 4.699 1.00 0.00 C ATOM 1437 O VAL A 92 20.259 -5.982 5.036 1.00 0.00 O ATOM 1438 CB VAL A 92 17.294 -4.347 6.063 1.00 0.00 C ATOM 1439 CG1 VAL A 92 18.143 -4.105 7.312 1.00 0.00 C ATOM 1440 CG2 VAL A 92 16.935 -3.019 5.386 1.00 0.00 C ATOM 0 H VAL A 92 18.412 -6.891 6.425 1.00 0.00 H new ATOM 0 HA VAL A 92 17.366 -5.251 4.150 1.00 0.00 H new ATOM 0 HB VAL A 92 16.365 -4.810 6.394 1.00 0.00 H new ATOM 0 HG11 VAL A 92 17.650 -3.372 7.950 1.00 0.00 H new ATOM 0 HG12 VAL A 92 18.261 -5.041 7.858 1.00 0.00 H new ATOM 0 HG13 VAL A 92 19.123 -3.730 7.018 1.00 0.00 H new ATOM 0 HG21 VAL A 92 16.508 -2.339 6.123 1.00 0.00 H new ATOM 0 HG22 VAL A 92 17.834 -2.574 4.959 1.00 0.00 H new ATOM 0 HG23 VAL A 92 16.208 -3.199 4.594 1.00 0.00 H new ATOM 1450 N ALA A 93 19.671 -4.133 3.897 1.00 0.00 N ATOM 1451 CA ALA A 93 21.015 -3.695 3.539 1.00 0.00 C ATOM 1452 C ALA A 93 21.616 -2.792 4.634 1.00 0.00 C ATOM 1453 O ALA A 93 21.152 -2.778 5.775 1.00 0.00 O ATOM 1454 CB ALA A 93 20.936 -2.991 2.179 1.00 0.00 C ATOM 0 H ALA A 93 18.942 -3.565 3.466 1.00 0.00 H new ATOM 0 HA ALA A 93 21.685 -4.551 3.460 1.00 0.00 H new ATOM 0 HB1 ALA A 93 21.930 -2.652 1.886 1.00 0.00 H new ATOM 0 HB2 ALA A 93 20.555 -3.686 1.431 1.00 0.00 H new ATOM 0 HB3 ALA A 93 20.267 -2.133 2.252 1.00 0.00 H new