USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 707 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 Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -146:sc= -0.0828 (180deg=-1.31) USER MOD Single : A 33 TYR OH : rot -178:sc= 1.2 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 74:sc= 1.19 USER MOD Single : A 45 MET CE :methyl -171:sc= -0.0856 (180deg=-0.175) USER MOD Single : A 47 LYS NZ :NH3+ -154:sc= 1.25 (180deg=1.08) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -162:sc= 1.3 (180deg=0.702) USER MOD Single : A 61 LYS NZ :NH3+ -146:sc= 0.589 (180deg=0.127) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl -179:sc= 0 (180deg=-0.00119) USER MOD Single : A 74 CYS SG : rot 79:sc= 0.237 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -173:sc=-0.00354 (180deg=-0.0182) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -175:sc= 0.429 (180deg=0.263) USER MOD Single : A 98 SER OG : rot 173:sc= 2.22 USER MOD Single : A 109 THR OG1 : rot 100:sc= 1.55 USER MOD Single : A 110 GLN : amide:sc= 1.22 K(o=1.2,f=-0.11) USER MOD Single : A 118 TYR OH : rot -28:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 280 N ILE A 18 -1.333 -8.052 12.991 1.00 0.00 N ATOM 281 CA ILE A 18 -2.221 -7.788 11.857 1.00 0.00 C ATOM 282 C ILE A 18 -3.127 -9.002 11.614 1.00 0.00 C ATOM 283 O ILE A 18 -4.329 -8.826 11.415 1.00 0.00 O ATOM 284 CB ILE A 18 -1.418 -7.375 10.596 1.00 0.00 C ATOM 285 CG1 ILE A 18 -0.473 -6.192 10.925 1.00 0.00 C ATOM 286 CG2 ILE A 18 -2.363 -6.975 9.446 1.00 0.00 C ATOM 287 CD1 ILE A 18 0.340 -5.670 9.737 1.00 0.00 C ATOM 0 HA ILE A 18 -2.863 -6.940 12.094 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.827 -8.234 10.279 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.067 -5.372 11.329 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.216 -6.503 11.710 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.775 -6.690 8.574 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.004 -7.819 9.191 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.980 -6.133 9.758 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.971 -4.844 10.063 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.966 -6.471 9.344 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.338 -5.323 8.957 1.00 0.00 H new ATOM 299 N ILE A 19 -2.583 -10.225 11.662 1.00 0.00 N ATOM 300 CA ILE A 19 -3.293 -11.432 11.237 1.00 0.00 C ATOM 301 C ILE A 19 -3.214 -12.567 12.277 1.00 0.00 C ATOM 302 O ILE A 19 -3.363 -13.735 11.927 1.00 0.00 O ATOM 303 CB ILE A 19 -2.795 -11.842 9.838 1.00 0.00 C ATOM 304 CG1 ILE A 19 -1.284 -12.116 9.890 1.00 0.00 C ATOM 305 CG2 ILE A 19 -3.148 -10.789 8.762 1.00 0.00 C ATOM 306 CD1 ILE A 19 -0.864 -13.054 8.777 1.00 0.00 C ATOM 0 H ILE A 19 -1.636 -10.402 11.998 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.358 -11.212 11.166 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.309 -12.757 9.545 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.737 -11.177 9.805 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.023 -12.551 10.855 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.777 -11.121 7.792 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.230 -10.666 8.714 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.686 -9.836 9.020 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.210 -13.231 8.837 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.394 -14.001 8.879 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.105 -12.606 7.813 1.00 0.00 H new ATOM 318 N VAL A 20 -2.969 -12.249 13.551 1.00 0.00 N ATOM 319 CA VAL A 20 -2.728 -13.226 14.620 1.00 0.00 C ATOM 320 C VAL A 20 -3.779 -14.348 14.711 1.00 0.00 C ATOM 321 O VAL A 20 -3.419 -15.497 14.973 1.00 0.00 O ATOM 322 CB VAL A 20 -2.535 -12.468 15.952 1.00 0.00 C ATOM 323 CG1 VAL A 20 -3.834 -11.830 16.473 1.00 0.00 C ATOM 324 CG2 VAL A 20 -1.934 -13.368 17.039 1.00 0.00 C ATOM 0 H VAL A 20 -2.932 -11.283 13.877 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.814 -13.768 14.375 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.834 -11.664 15.727 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.634 -11.312 17.411 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.210 -11.118 15.738 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.580 -12.607 16.639 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.815 -12.797 17.959 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.598 -14.213 17.220 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.961 -13.735 16.711 1.00 0.00 H new ATOM 334 N ASP A 21 -5.058 -14.043 14.464 1.00 0.00 N ATOM 335 CA ASP A 21 -6.174 -14.999 14.561 1.00 0.00 C ATOM 336 C ASP A 21 -6.765 -15.307 13.167 1.00 0.00 C ATOM 337 O ASP A 21 -7.801 -15.982 13.014 1.00 0.00 O ATOM 338 CB ASP A 21 -7.229 -14.419 15.515 1.00 0.00 C ATOM 339 CG ASP A 21 -8.369 -15.407 15.820 1.00 0.00 C ATOM 340 OD1 ASP A 21 -8.095 -16.532 16.296 1.00 0.00 O ATOM 341 OD2 ASP A 21 -9.555 -15.038 15.654 1.00 0.00 O ATOM 0 H ASP A 21 -5.355 -13.108 14.186 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.816 -15.949 14.959 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.747 -14.129 16.449 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.648 -13.513 15.078 1.00 0.00 H new ATOM 346 N ALA A 22 -6.089 -14.779 12.138 1.00 0.00 N ATOM 347 CA ALA A 22 -6.552 -14.737 10.773 1.00 0.00 C ATOM 348 C ALA A 22 -5.760 -15.696 9.887 1.00 0.00 C ATOM 349 O ALA A 22 -4.537 -15.607 9.749 1.00 0.00 O ATOM 350 CB ALA A 22 -6.471 -13.307 10.248 1.00 0.00 C ATOM 0 H ALA A 22 -5.168 -14.356 12.254 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.592 -15.063 10.747 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.821 -13.278 9.216 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.096 -12.658 10.862 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.438 -12.962 10.290 1.00 0.00 H new ATOM 356 N GLU A 23 -6.505 -16.548 9.198 1.00 0.00 N ATOM 357 CA GLU A 23 -6.019 -17.455 8.155 1.00 0.00 C ATOM 358 C GLU A 23 -7.049 -17.578 7.032 1.00 0.00 C ATOM 359 O GLU A 23 -6.681 -17.848 5.889 1.00 0.00 O ATOM 360 CB GLU A 23 -5.724 -18.882 8.658 1.00 0.00 C ATOM 361 CG GLU A 23 -5.075 -19.068 10.039 1.00 0.00 C ATOM 362 CD GLU A 23 -6.133 -19.084 11.152 1.00 0.00 C ATOM 363 OE1 GLU A 23 -7.042 -19.946 11.150 1.00 0.00 O ATOM 364 OE2 GLU A 23 -6.152 -18.197 12.026 1.00 0.00 O ATOM 0 H GLU A 23 -7.509 -16.634 9.353 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.086 -17.011 7.807 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.666 -19.431 8.661 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.077 -19.362 7.924 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.511 -20.001 10.056 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.364 -18.262 10.221 1.00 0.00 H new ATOM 371 N ASP A 24 -8.338 -17.416 7.348 1.00 0.00 N ATOM 372 CA ASP A 24 -9.420 -17.490 6.400 1.00 0.00 C ATOM 373 C ASP A 24 -9.352 -16.162 5.639 1.00 0.00 C ATOM 374 O ASP A 24 -9.018 -15.128 6.230 1.00 0.00 O ATOM 375 CB ASP A 24 -10.731 -17.709 7.181 1.00 0.00 C ATOM 376 CG ASP A 24 -10.707 -18.962 8.099 1.00 0.00 C ATOM 377 OD1 ASP A 24 -11.094 -20.051 7.615 1.00 0.00 O ATOM 378 OD2 ASP A 24 -10.325 -18.883 9.300 1.00 0.00 O ATOM 0 H ASP A 24 -8.651 -17.225 8.300 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.362 -18.315 5.690 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.933 -16.827 7.789 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.554 -17.804 6.473 1.00 0.00 H new ATOM 383 N LYS A 25 -9.637 -16.163 4.332 1.00 0.00 N ATOM 384 CA LYS A 25 -9.381 -14.995 3.469 1.00 0.00 C ATOM 385 C LYS A 25 -10.022 -13.737 4.004 1.00 0.00 C ATOM 386 O LYS A 25 -9.426 -12.663 3.959 1.00 0.00 O ATOM 387 CB LYS A 25 -9.927 -15.204 2.044 1.00 0.00 C ATOM 388 CG LYS A 25 -9.442 -16.475 1.356 1.00 0.00 C ATOM 389 CD LYS A 25 -7.916 -16.478 1.175 1.00 0.00 C ATOM 390 CE LYS A 25 -7.384 -17.825 0.686 1.00 0.00 C ATOM 391 NZ LYS A 25 -5.904 -17.812 0.645 1.00 0.00 N ATOM 0 H LYS A 25 -10.046 -16.960 3.844 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.296 -14.887 3.453 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.016 -15.223 2.086 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.646 -14.346 1.433 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.740 -17.343 1.944 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.924 -16.568 0.383 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.637 -15.701 0.463 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.441 -16.227 2.123 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.729 -18.621 1.346 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.780 -18.041 -0.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.558 -18.734 0.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.581 -17.065 -0.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.532 -17.627 1.598 1.00 0.00 H new ATOM 405 N GLU A 26 -11.247 -13.891 4.494 1.00 0.00 N ATOM 406 CA GLU A 26 -12.048 -12.766 4.902 1.00 0.00 C ATOM 407 C GLU A 26 -11.427 -12.150 6.161 1.00 0.00 C ATOM 408 O GLU A 26 -11.403 -10.929 6.305 1.00 0.00 O ATOM 409 CB GLU A 26 -13.500 -13.215 5.127 1.00 0.00 C ATOM 410 CG GLU A 26 -14.128 -13.782 3.841 1.00 0.00 C ATOM 411 CD GLU A 26 -15.586 -14.219 4.072 1.00 0.00 C ATOM 412 OE1 GLU A 26 -15.824 -15.392 4.440 1.00 0.00 O ATOM 413 OE2 GLU A 26 -16.513 -13.403 3.870 1.00 0.00 O ATOM 0 H GLU A 26 -11.701 -14.796 4.615 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.066 -12.003 4.124 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.529 -13.972 5.910 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.092 -12.370 5.479 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.093 -13.028 3.054 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.542 -14.633 3.493 1.00 0.00 H new ATOM 420 N GLU A 27 -10.863 -12.980 7.049 1.00 0.00 N ATOM 421 CA GLU A 27 -10.205 -12.516 8.261 1.00 0.00 C ATOM 422 C GLU A 27 -8.910 -11.811 7.902 1.00 0.00 C ATOM 423 O GLU A 27 -8.670 -10.716 8.399 1.00 0.00 O ATOM 424 CB GLU A 27 -9.825 -13.681 9.175 1.00 0.00 C ATOM 425 CG GLU A 27 -10.971 -14.594 9.591 1.00 0.00 C ATOM 426 CD GLU A 27 -10.417 -15.798 10.354 1.00 0.00 C ATOM 427 OE1 GLU A 27 -9.329 -16.323 10.002 1.00 0.00 O ATOM 428 OE2 GLU A 27 -11.047 -16.249 11.337 1.00 0.00 O ATOM 0 H GLU A 27 -10.854 -13.994 6.939 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.905 -11.852 8.769 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.070 -14.283 8.670 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.362 -13.277 10.075 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.676 -14.047 10.217 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.520 -14.930 8.711 1.00 0.00 H new ATOM 435 N ARG A 28 -8.057 -12.425 7.067 1.00 0.00 N ATOM 436 CA ARG A 28 -6.777 -11.800 6.723 1.00 0.00 C ATOM 437 C ARG A 28 -7.009 -10.469 6.022 1.00 0.00 C ATOM 438 O ARG A 28 -6.349 -9.492 6.379 1.00 0.00 O ATOM 439 CB ARG A 28 -5.886 -12.742 5.897 1.00 0.00 C ATOM 440 CG ARG A 28 -5.229 -13.785 6.809 1.00 0.00 C ATOM 441 CD ARG A 28 -4.120 -14.592 6.125 1.00 0.00 C ATOM 442 NE ARG A 28 -3.375 -15.362 7.133 1.00 0.00 N ATOM 443 CZ ARG A 28 -2.410 -16.261 6.915 1.00 0.00 C ATOM 444 NH1 ARG A 28 -1.979 -16.536 5.688 1.00 0.00 N ATOM 445 NH2 ARG A 28 -1.891 -16.894 7.962 1.00 0.00 N ATOM 0 H ARG A 28 -8.226 -13.330 6.629 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.236 -11.600 7.648 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.482 -13.241 5.133 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.119 -12.167 5.378 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.814 -13.281 7.682 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.994 -14.471 7.171 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.551 -15.265 5.384 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.445 -13.922 5.593 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.623 -15.191 8.108 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.386 -16.056 4.885 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.241 -17.226 5.549 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.230 -16.689 8.902 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.153 -17.585 7.826 1.00 0.00 H new ATOM 459 N ALA A 29 -7.973 -10.399 5.102 1.00 0.00 N ATOM 460 CA ALA A 29 -8.335 -9.154 4.451 1.00 0.00 C ATOM 461 C ALA A 29 -8.723 -8.097 5.486 1.00 0.00 C ATOM 462 O ALA A 29 -8.245 -6.968 5.407 1.00 0.00 O ATOM 463 CB ALA A 29 -9.478 -9.406 3.467 1.00 0.00 C ATOM 0 H ALA A 29 -8.518 -11.204 4.793 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.475 -8.774 3.900 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.750 -8.471 2.978 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.159 -10.129 2.716 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.341 -9.799 4.005 1.00 0.00 H new ATOM 469 N MET A 30 -9.554 -8.452 6.470 1.00 0.00 N ATOM 470 CA MET A 30 -9.990 -7.512 7.495 1.00 0.00 C ATOM 471 C MET A 30 -8.867 -7.127 8.458 1.00 0.00 C ATOM 472 O MET A 30 -8.769 -5.959 8.830 1.00 0.00 O ATOM 473 CB MET A 30 -11.212 -8.070 8.234 1.00 0.00 C ATOM 474 CG MET A 30 -12.469 -8.010 7.355 1.00 0.00 C ATOM 475 SD MET A 30 -12.944 -6.332 6.856 1.00 0.00 S ATOM 476 CE MET A 30 -12.326 -6.243 5.149 1.00 0.00 C ATOM 0 H MET A 30 -9.938 -9.391 6.575 1.00 0.00 H new ATOM 0 HA MET A 30 -10.279 -6.587 6.996 1.00 0.00 H new ATOM 0 HB2 MET A 30 -11.021 -9.102 8.530 1.00 0.00 H new ATOM 0 HB3 MET A 30 -11.378 -7.501 9.149 1.00 0.00 H new ATOM 0 HG2 MET A 30 -12.303 -8.610 6.460 1.00 0.00 H new ATOM 0 HG3 MET A 30 -13.299 -8.466 7.895 1.00 0.00 H new ATOM 0 HE1 MET A 30 -11.991 -5.228 4.936 1.00 0.00 H new ATOM 0 HE2 MET A 30 -11.491 -6.933 5.028 1.00 0.00 H new ATOM 0 HE3 MET A 30 -13.124 -6.514 4.458 1.00 0.00 H new ATOM 486 N GLY A 31 -7.992 -8.060 8.832 1.00 0.00 N ATOM 487 CA GLY A 31 -6.844 -7.779 9.677 1.00 0.00 C ATOM 488 C GLY A 31 -5.965 -6.717 9.026 1.00 0.00 C ATOM 489 O GLY A 31 -5.645 -5.703 9.654 1.00 0.00 O ATOM 0 H GLY A 31 -8.065 -9.038 8.552 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.178 -7.436 10.656 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.269 -8.691 9.838 1.00 0.00 H new ATOM 493 N TRP A 32 -5.654 -6.906 7.738 1.00 0.00 N ATOM 494 CA TRP A 32 -4.941 -5.908 6.961 1.00 0.00 C ATOM 495 C TRP A 32 -5.731 -4.598 6.901 1.00 0.00 C ATOM 496 O TRP A 32 -5.160 -3.548 7.189 1.00 0.00 O ATOM 497 CB TRP A 32 -4.628 -6.440 5.556 1.00 0.00 C ATOM 498 CG TRP A 32 -3.389 -7.276 5.503 1.00 0.00 C ATOM 499 CD1 TRP A 32 -3.325 -8.623 5.431 1.00 0.00 C ATOM 500 CD2 TRP A 32 -2.006 -6.819 5.560 1.00 0.00 C ATOM 501 NE1 TRP A 32 -2.007 -9.032 5.440 1.00 0.00 N ATOM 502 CE2 TRP A 32 -1.147 -7.957 5.540 1.00 0.00 C ATOM 503 CE3 TRP A 32 -1.396 -5.550 5.642 1.00 0.00 C ATOM 504 CZ2 TRP A 32 0.248 -7.835 5.610 1.00 0.00 C ATOM 505 CZ3 TRP A 32 0.003 -5.416 5.697 1.00 0.00 C ATOM 506 CH2 TRP A 32 0.825 -6.556 5.679 1.00 0.00 C ATOM 0 H TRP A 32 -5.891 -7.750 7.217 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.993 -5.697 7.456 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -5.473 -7.031 5.202 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -4.520 -5.598 4.872 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.179 -9.282 5.375 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.707 -10.005 5.380 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.015 -4.665 5.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.873 -8.716 5.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 0.447 -4.433 5.753 1.00 0.00 H new ATOM 0 HH2 TRP A 32 1.899 -6.449 5.718 1.00 0.00 H new ATOM 517 N TYR A 33 -7.027 -4.651 6.574 1.00 0.00 N ATOM 518 CA TYR A 33 -7.876 -3.477 6.388 1.00 0.00 C ATOM 519 C TYR A 33 -7.847 -2.565 7.611 1.00 0.00 C ATOM 520 O TYR A 33 -7.623 -1.363 7.466 1.00 0.00 O ATOM 521 CB TYR A 33 -9.317 -3.922 6.085 1.00 0.00 C ATOM 522 CG TYR A 33 -10.341 -2.814 5.911 1.00 0.00 C ATOM 523 CD1 TYR A 33 -10.902 -2.183 7.038 1.00 0.00 C ATOM 524 CD2 TYR A 33 -10.782 -2.452 4.626 1.00 0.00 C ATOM 525 CE1 TYR A 33 -11.871 -1.178 6.890 1.00 0.00 C ATOM 526 CE2 TYR A 33 -11.798 -1.492 4.471 1.00 0.00 C ATOM 527 CZ TYR A 33 -12.346 -0.844 5.601 1.00 0.00 C ATOM 528 OH TYR A 33 -13.326 0.088 5.446 1.00 0.00 O ATOM 0 H TYR A 33 -7.522 -5.531 6.429 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.488 -2.906 5.544 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -9.305 -4.523 5.176 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -9.651 -4.573 6.893 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.583 -2.476 8.028 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -10.339 -2.913 3.755 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.252 -0.661 7.758 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -12.161 -1.249 3.483 1.00 0.00 H new ATOM 0 HH TYR A 33 -13.552 0.170 4.496 1.00 0.00 H new ATOM 538 N TYR A 34 -8.079 -3.106 8.811 1.00 0.00 N ATOM 539 CA TYR A 34 -8.239 -2.270 9.993 1.00 0.00 C ATOM 540 C TYR A 34 -6.893 -1.756 10.501 1.00 0.00 C ATOM 541 O TYR A 34 -6.844 -0.640 11.012 1.00 0.00 O ATOM 542 CB TYR A 34 -9.034 -3.005 11.079 1.00 0.00 C ATOM 543 CG TYR A 34 -10.506 -3.188 10.735 1.00 0.00 C ATOM 544 CD1 TYR A 34 -11.351 -2.063 10.625 1.00 0.00 C ATOM 545 CD2 TYR A 34 -11.033 -4.473 10.506 1.00 0.00 C ATOM 546 CE1 TYR A 34 -12.709 -2.220 10.292 1.00 0.00 C ATOM 547 CE2 TYR A 34 -12.388 -4.639 10.166 1.00 0.00 C ATOM 548 CZ TYR A 34 -13.234 -3.512 10.056 1.00 0.00 C ATOM 549 OH TYR A 34 -14.547 -3.682 9.731 1.00 0.00 O ATOM 0 H TYR A 34 -8.159 -4.108 8.984 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.819 -1.391 9.712 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.584 -3.983 11.248 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.954 -2.451 12.014 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -10.952 -1.074 10.798 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.392 -5.338 10.592 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -13.350 -1.354 10.217 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.782 -5.629 9.989 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.732 -4.636 9.604 1.00 0.00 H new ATOM 559 N TYR A 35 -5.795 -2.498 10.321 1.00 0.00 N ATOM 560 CA TYR A 35 -4.457 -1.970 10.589 1.00 0.00 C ATOM 561 C TYR A 35 -4.124 -0.842 9.608 1.00 0.00 C ATOM 562 O TYR A 35 -3.567 0.179 10.022 1.00 0.00 O ATOM 563 CB TYR A 35 -3.440 -3.118 10.478 1.00 0.00 C ATOM 564 CG TYR A 35 -1.982 -2.701 10.366 1.00 0.00 C ATOM 565 CD1 TYR A 35 -1.249 -2.335 11.512 1.00 0.00 C ATOM 566 CD2 TYR A 35 -1.349 -2.709 9.108 1.00 0.00 C ATOM 567 CE1 TYR A 35 0.115 -2.003 11.404 1.00 0.00 C ATOM 568 CE2 TYR A 35 0.013 -2.377 8.991 1.00 0.00 C ATOM 569 CZ TYR A 35 0.757 -2.035 10.142 1.00 0.00 C ATOM 570 OH TYR A 35 2.093 -1.777 10.029 1.00 0.00 O ATOM 0 H TYR A 35 -5.808 -3.463 9.992 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.417 -1.553 11.595 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.549 -3.760 11.352 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.694 -3.721 9.606 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -1.735 -2.309 12.476 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.914 -2.972 8.226 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.673 -1.723 12.285 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.489 -2.384 8.022 1.00 0.00 H new ATOM 0 HH TYR A 35 2.361 -1.845 9.089 1.00 0.00 H new ATOM 580 N LEU A 36 -4.485 -0.994 8.328 1.00 0.00 N ATOM 581 CA LEU A 36 -4.269 0.028 7.321 1.00 0.00 C ATOM 582 C LEU A 36 -5.063 1.262 7.684 1.00 0.00 C ATOM 583 O LEU A 36 -4.426 2.301 7.845 1.00 0.00 O ATOM 584 CB LEU A 36 -4.640 -0.464 5.913 1.00 0.00 C ATOM 585 CG LEU A 36 -3.410 -0.765 5.041 1.00 0.00 C ATOM 586 CD1 LEU A 36 -2.422 -1.753 5.669 1.00 0.00 C ATOM 587 CD2 LEU A 36 -3.913 -1.350 3.718 1.00 0.00 C ATOM 0 H LEU A 36 -4.936 -1.836 7.970 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.206 0.270 7.300 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.249 -1.364 5.997 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.253 0.290 5.420 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.866 0.171 4.913 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.584 -1.911 4.990 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.054 -1.350 6.612 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.924 -2.703 5.852 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.063 -1.576 3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.473 -2.265 3.914 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.561 -0.627 3.224 1.00 0.00 H new ATOM 599 N ASP A 37 -6.392 1.173 7.880 1.00 0.00 N ATOM 600 CA ASP A 37 -7.138 2.359 8.291 1.00 0.00 C ATOM 601 C ASP A 37 -6.510 2.917 9.521 1.00 0.00 C ATOM 602 O ASP A 37 -6.318 4.132 9.564 1.00 0.00 O ATOM 603 CB ASP A 37 -8.625 2.173 8.654 1.00 0.00 C ATOM 604 CG ASP A 37 -9.258 3.501 9.196 1.00 0.00 C ATOM 605 OD1 ASP A 37 -8.921 4.018 10.303 1.00 0.00 O ATOM 606 OD2 ASP A 37 -10.135 4.042 8.488 1.00 0.00 O ATOM 0 H ASP A 37 -6.946 0.325 7.764 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.102 2.993 7.405 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.176 1.839 7.774 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.721 1.390 9.406 1.00 0.00 H new ATOM 611 N ASP A 38 -6.179 2.091 10.522 1.00 0.00 N ATOM 612 CA ASP A 38 -5.824 2.745 11.750 1.00 0.00 C ATOM 613 C ASP A 38 -4.559 3.585 11.622 1.00 0.00 C ATOM 614 O ASP A 38 -4.510 4.688 12.171 1.00 0.00 O ATOM 615 CB ASP A 38 -5.912 1.931 13.029 1.00 0.00 C ATOM 616 CG ASP A 38 -6.096 2.964 14.178 1.00 0.00 C ATOM 617 OD1 ASP A 38 -6.703 4.053 13.947 1.00 0.00 O ATOM 618 OD2 ASP A 38 -5.648 2.687 15.312 1.00 0.00 O ATOM 0 H ASP A 38 -6.153 1.071 10.503 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.651 3.439 11.903 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.749 1.234 12.992 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.010 1.338 13.178 1.00 0.00 H new ATOM 623 N THR A 39 -3.646 3.152 10.758 1.00 0.00 N ATOM 624 CA THR A 39 -2.397 3.841 10.515 1.00 0.00 C ATOM 625 C THR A 39 -2.644 5.097 9.661 1.00 0.00 C ATOM 626 O THR A 39 -2.084 6.157 9.940 1.00 0.00 O ATOM 627 CB THR A 39 -1.448 2.838 9.842 1.00 0.00 C ATOM 628 OG1 THR A 39 -1.311 1.660 10.616 1.00 0.00 O ATOM 629 CG2 THR A 39 -0.074 3.465 9.654 1.00 0.00 C ATOM 0 H THR A 39 -3.760 2.303 10.204 1.00 0.00 H new ATOM 0 HA THR A 39 -1.942 4.192 11.441 1.00 0.00 H new ATOM 0 HB THR A 39 -1.877 2.576 8.875 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.124 1.119 10.536 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.592 2.746 9.176 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.161 4.352 9.026 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.333 3.747 10.625 1.00 0.00 H new ATOM 637 N LEU A 40 -3.489 4.988 8.634 1.00 0.00 N ATOM 638 CA LEU A 40 -3.900 6.086 7.770 1.00 0.00 C ATOM 639 C LEU A 40 -4.706 7.105 8.596 1.00 0.00 C ATOM 640 O LEU A 40 -5.537 6.743 9.441 1.00 0.00 O ATOM 641 CB LEU A 40 -4.745 5.521 6.605 1.00 0.00 C ATOM 642 CG LEU A 40 -4.022 4.486 5.705 1.00 0.00 C ATOM 643 CD1 LEU A 40 -4.999 3.620 4.902 1.00 0.00 C ATOM 644 CD2 LEU A 40 -3.069 5.117 4.695 1.00 0.00 C ATOM 0 H LEU A 40 -3.919 4.100 8.376 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.029 6.592 7.354 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.640 5.056 7.019 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.076 6.352 5.982 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.460 3.880 6.416 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.440 2.913 4.289 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.648 3.073 5.586 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.606 4.257 4.258 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.599 4.334 4.100 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.625 5.787 4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.301 5.682 5.223 1.00 0.00 H new ATOM 656 N GLU A 41 -4.512 8.391 8.316 1.00 0.00 N ATOM 657 CA GLU A 41 -5.220 9.495 8.959 1.00 0.00 C ATOM 658 C GLU A 41 -5.932 10.300 7.869 1.00 0.00 C ATOM 659 O GLU A 41 -5.568 11.429 7.534 1.00 0.00 O ATOM 660 CB GLU A 41 -4.273 10.303 9.862 1.00 0.00 C ATOM 661 CG GLU A 41 -3.851 9.513 11.114 1.00 0.00 C ATOM 662 CD GLU A 41 -5.014 9.297 12.106 1.00 0.00 C ATOM 663 OE1 GLU A 41 -5.245 10.173 12.970 1.00 0.00 O ATOM 664 OE2 GLU A 41 -5.705 8.250 12.046 1.00 0.00 O ATOM 0 H GLU A 41 -3.839 8.703 7.616 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.989 9.137 9.643 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.385 10.585 9.296 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.764 11.228 10.166 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.454 8.544 10.810 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.044 10.044 11.618 1.00 0.00 H new ATOM 671 N PHE A 42 -6.937 9.646 7.279 1.00 0.00 N ATOM 672 CA PHE A 42 -7.849 10.195 6.283 1.00 0.00 C ATOM 673 C PHE A 42 -8.572 11.467 6.776 1.00 0.00 C ATOM 674 O PHE A 42 -8.695 11.660 7.991 1.00 0.00 O ATOM 675 CB PHE A 42 -8.907 9.131 5.968 1.00 0.00 C ATOM 676 CG PHE A 42 -8.406 7.866 5.306 1.00 0.00 C ATOM 677 CD1 PHE A 42 -8.254 7.865 3.912 1.00 0.00 C ATOM 678 CD2 PHE A 42 -8.216 6.674 6.033 1.00 0.00 C ATOM 679 CE1 PHE A 42 -7.979 6.670 3.226 1.00 0.00 C ATOM 680 CE2 PHE A 42 -7.937 5.480 5.346 1.00 0.00 C ATOM 681 CZ PHE A 42 -7.835 5.474 3.945 1.00 0.00 C ATOM 0 H PHE A 42 -7.143 8.671 7.497 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.262 10.467 5.405 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.405 8.857 6.898 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.662 9.579 5.323 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.349 8.789 3.362 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.284 6.678 7.111 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -7.879 6.672 2.151 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.800 4.562 5.898 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.646 4.549 3.421 1.00 0.00 H new ATOM 691 N PRO A 43 -9.146 12.288 5.871 1.00 0.00 N ATOM 692 CA PRO A 43 -8.991 12.226 4.415 1.00 0.00 C ATOM 693 C PRO A 43 -7.570 12.644 4.018 1.00 0.00 C ATOM 694 O PRO A 43 -6.918 13.369 4.776 1.00 0.00 O ATOM 695 CB PRO A 43 -10.038 13.201 3.864 1.00 0.00 C ATOM 696 CG PRO A 43 -10.170 14.250 4.966 1.00 0.00 C ATOM 697 CD PRO A 43 -9.969 13.433 6.241 1.00 0.00 C ATOM 0 HA PRO A 43 -9.137 11.221 4.019 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.714 13.647 2.923 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.987 12.702 3.670 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -9.421 15.036 4.867 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -11.146 14.735 4.947 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -9.481 14.030 7.011 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.926 13.108 6.649 1.00 0.00 H new ATOM 705 N PHE A 44 -7.081 12.222 2.845 1.00 0.00 N ATOM 706 CA PHE A 44 -5.787 12.724 2.359 1.00 0.00 C ATOM 707 C PHE A 44 -5.779 12.905 0.843 1.00 0.00 C ATOM 708 O PHE A 44 -6.588 12.309 0.145 1.00 0.00 O ATOM 709 CB PHE A 44 -4.632 11.840 2.864 1.00 0.00 C ATOM 710 CG PHE A 44 -4.546 10.425 2.318 1.00 0.00 C ATOM 711 CD1 PHE A 44 -3.873 10.194 1.106 1.00 0.00 C ATOM 712 CD2 PHE A 44 -5.061 9.329 3.038 1.00 0.00 C ATOM 713 CE1 PHE A 44 -3.744 8.898 0.587 1.00 0.00 C ATOM 714 CE2 PHE A 44 -4.913 8.024 2.534 1.00 0.00 C ATOM 715 CZ PHE A 44 -4.264 7.806 1.304 1.00 0.00 C ATOM 0 H PHE A 44 -7.545 11.554 2.229 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.632 13.719 2.776 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.695 12.347 2.635 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.705 11.778 3.950 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.449 11.028 0.566 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.569 9.491 3.977 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.248 8.739 -0.359 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.299 7.185 3.094 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.166 6.804 0.913 1.00 0.00 H new ATOM 725 N MET A 45 -4.890 13.743 0.310 1.00 0.00 N ATOM 726 CA MET A 45 -4.775 13.944 -1.133 1.00 0.00 C ATOM 727 C MET A 45 -3.847 12.873 -1.703 1.00 0.00 C ATOM 728 O MET A 45 -2.831 12.558 -1.083 1.00 0.00 O ATOM 729 CB MET A 45 -4.206 15.349 -1.387 1.00 0.00 C ATOM 730 CG MET A 45 -4.072 15.661 -2.879 1.00 0.00 C ATOM 731 SD MET A 45 -3.301 17.258 -3.233 1.00 0.00 S ATOM 732 CE MET A 45 -3.305 17.144 -5.038 1.00 0.00 C ATOM 0 H MET A 45 -4.235 14.297 0.861 1.00 0.00 H new ATOM 0 HA MET A 45 -5.747 13.862 -1.619 1.00 0.00 H new ATOM 0 HB2 MET A 45 -4.854 16.091 -0.920 1.00 0.00 H new ATOM 0 HB3 MET A 45 -3.229 15.434 -0.911 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.486 14.874 -3.353 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.062 15.639 -3.334 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.723 17.966 -5.456 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.864 16.195 -5.344 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.330 17.202 -5.404 1.00 0.00 H new ATOM 742 N GLY A 46 -4.120 12.358 -2.901 1.00 0.00 N ATOM 743 CA GLY A 46 -3.227 11.419 -3.553 1.00 0.00 C ATOM 744 C GLY A 46 -3.363 11.454 -5.065 1.00 0.00 C ATOM 745 O GLY A 46 -4.285 12.056 -5.619 1.00 0.00 O ATOM 0 H GLY A 46 -4.959 12.581 -3.437 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.198 11.648 -3.277 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.437 10.411 -3.194 1.00 0.00 H new ATOM 749 N LYS A 47 -2.412 10.817 -5.740 1.00 0.00 N ATOM 750 CA LYS A 47 -2.513 10.562 -7.168 1.00 0.00 C ATOM 751 C LYS A 47 -3.044 9.142 -7.313 1.00 0.00 C ATOM 752 O LYS A 47 -2.475 8.206 -6.745 1.00 0.00 O ATOM 753 CB LYS A 47 -1.138 10.701 -7.854 1.00 0.00 C ATOM 754 CG LYS A 47 -1.270 10.860 -9.381 1.00 0.00 C ATOM 755 CD LYS A 47 -1.688 12.283 -9.800 1.00 0.00 C ATOM 756 CE LYS A 47 -0.540 13.303 -9.732 1.00 0.00 C ATOM 757 NZ LYS A 47 0.353 13.245 -10.917 1.00 0.00 N ATOM 0 H LYS A 47 -1.555 10.466 -5.313 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.175 11.284 -7.646 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.613 11.564 -7.443 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.531 9.823 -7.632 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.318 10.613 -9.851 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.004 10.146 -9.754 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.078 12.254 -10.817 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.501 12.619 -9.156 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.957 14.307 -9.646 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.047 13.123 -8.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.299 13.590 -10.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.423 12.263 -11.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.036 13.842 -11.675 1.00 0.00 H new ATOM 771 N TRP A 48 -4.135 8.977 -8.051 1.00 0.00 N ATOM 772 CA TRP A 48 -4.614 7.673 -8.462 1.00 0.00 C ATOM 773 C TRP A 48 -3.768 7.336 -9.685 1.00 0.00 C ATOM 774 O TRP A 48 -3.951 7.926 -10.750 1.00 0.00 O ATOM 775 CB TRP A 48 -6.118 7.738 -8.767 1.00 0.00 C ATOM 776 CG TRP A 48 -6.801 6.450 -9.121 1.00 0.00 C ATOM 777 CD1 TRP A 48 -6.232 5.224 -9.200 1.00 0.00 C ATOM 778 CD2 TRP A 48 -8.213 6.241 -9.433 1.00 0.00 C ATOM 779 NE1 TRP A 48 -7.171 4.290 -9.579 1.00 0.00 N ATOM 780 CE2 TRP A 48 -8.413 4.864 -9.753 1.00 0.00 C ATOM 781 CE3 TRP A 48 -9.350 7.078 -9.459 1.00 0.00 C ATOM 782 CZ2 TRP A 48 -9.669 4.357 -10.122 1.00 0.00 C ATOM 783 CZ3 TRP A 48 -10.623 6.570 -9.784 1.00 0.00 C ATOM 784 CH2 TRP A 48 -10.781 5.216 -10.128 1.00 0.00 C ATOM 0 H TRP A 48 -4.712 9.751 -8.380 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.514 6.903 -7.697 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.621 8.160 -7.897 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.266 8.437 -9.591 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.193 5.010 -8.996 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.973 3.299 -9.714 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -9.242 8.127 -9.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -9.779 3.319 -10.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -11.482 7.224 -9.769 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -11.756 4.837 -10.397 1.00 0.00 H new ATOM 795 N LYS A 49 -2.800 6.438 -9.524 1.00 0.00 N ATOM 796 CA LYS A 49 -1.870 5.992 -10.554 1.00 0.00 C ATOM 797 C LYS A 49 -2.428 4.682 -11.114 1.00 0.00 C ATOM 798 O LYS A 49 -1.841 3.614 -10.935 1.00 0.00 O ATOM 799 CB LYS A 49 -0.475 5.821 -9.921 1.00 0.00 C ATOM 800 CG LYS A 49 0.146 7.162 -9.496 1.00 0.00 C ATOM 801 CD LYS A 49 1.467 6.997 -8.732 1.00 0.00 C ATOM 802 CE LYS A 49 2.551 6.296 -9.563 1.00 0.00 C ATOM 803 NZ LYS A 49 3.857 6.244 -8.858 1.00 0.00 N ATOM 0 H LYS A 49 -2.636 5.980 -8.627 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.764 6.709 -11.368 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.551 5.168 -9.052 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.186 5.328 -10.634 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.319 7.773 -10.382 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.564 7.703 -8.870 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.829 7.978 -8.425 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.286 6.425 -7.822 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.227 5.282 -9.798 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.673 6.819 -10.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.556 5.762 -9.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.182 7.211 -8.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.749 5.722 -7.965 1.00 0.00 H new ATOM 817 N LYS A 50 -3.622 4.763 -11.703 1.00 0.00 N ATOM 818 CA LYS A 50 -4.387 3.613 -12.175 1.00 0.00 C ATOM 819 C LYS A 50 -3.532 2.780 -13.129 1.00 0.00 C ATOM 820 O LYS A 50 -3.259 3.228 -14.240 1.00 0.00 O ATOM 821 CB LYS A 50 -5.702 4.086 -12.815 1.00 0.00 C ATOM 822 CG LYS A 50 -6.595 2.896 -13.213 1.00 0.00 C ATOM 823 CD LYS A 50 -8.056 3.295 -13.481 1.00 0.00 C ATOM 824 CE LYS A 50 -8.229 4.436 -14.496 1.00 0.00 C ATOM 825 NZ LYS A 50 -7.847 4.049 -15.876 1.00 0.00 N ATOM 0 H LYS A 50 -4.093 5.652 -11.868 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.654 2.970 -11.337 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.239 4.727 -12.116 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.483 4.689 -13.696 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.184 2.425 -14.106 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.569 2.150 -12.419 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.598 2.420 -13.841 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.517 3.591 -12.539 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.268 4.764 -14.491 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.625 5.287 -14.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.690 4.905 -16.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.973 3.485 -15.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.610 3.485 -16.302 1.00 0.00 H new ATOM 976 N GLU A 59 -1.794 5.324 -15.603 1.00 0.00 N ATOM 977 CA GLU A 59 -2.531 6.504 -16.018 1.00 0.00 C ATOM 978 C GLU A 59 -2.756 7.264 -14.707 1.00 0.00 C ATOM 979 O GLU A 59 -2.916 6.637 -13.657 1.00 0.00 O ATOM 980 CB GLU A 59 -3.841 6.082 -16.704 1.00 0.00 C ATOM 981 CG GLU A 59 -4.725 7.279 -17.084 1.00 0.00 C ATOM 982 CD GLU A 59 -5.963 6.850 -17.890 1.00 0.00 C ATOM 983 OE1 GLU A 59 -6.817 6.113 -17.347 1.00 0.00 O ATOM 984 OE2 GLU A 59 -6.104 7.273 -19.061 1.00 0.00 O ATOM 0 HA GLU A 59 -2.015 7.126 -16.749 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.608 5.509 -17.601 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.398 5.421 -16.039 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.043 7.796 -16.179 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.141 7.990 -17.668 1.00 0.00 H new ATOM 991 N GLU A 60 -2.745 8.595 -14.733 1.00 0.00 N ATOM 992 CA GLU A 60 -2.724 9.393 -13.512 1.00 0.00 C ATOM 993 C GLU A 60 -3.927 10.329 -13.456 1.00 0.00 C ATOM 994 O GLU A 60 -4.229 11.022 -14.432 1.00 0.00 O ATOM 995 CB GLU A 60 -1.416 10.196 -13.435 1.00 0.00 C ATOM 996 CG GLU A 60 -0.183 9.306 -13.233 1.00 0.00 C ATOM 997 CD GLU A 60 1.096 10.142 -13.061 1.00 0.00 C ATOM 998 OE1 GLU A 60 1.206 10.885 -12.059 1.00 0.00 O ATOM 999 OE2 GLU A 60 2.001 10.062 -13.924 1.00 0.00 O ATOM 0 H GLU A 60 -2.750 9.145 -15.592 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.779 8.721 -12.656 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.295 10.774 -14.351 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.481 10.910 -12.614 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.328 8.676 -12.355 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.071 8.639 -14.088 1.00 0.00 H new ATOM 1006 N LYS A 61 -4.576 10.384 -12.290 1.00 0.00 N ATOM 1007 CA LYS A 61 -5.608 11.365 -11.953 1.00 0.00 C ATOM 1008 C LYS A 61 -5.288 11.876 -10.553 1.00 0.00 C ATOM 1009 O LYS A 61 -4.737 11.128 -9.744 1.00 0.00 O ATOM 1010 CB LYS A 61 -7.008 10.727 -11.987 1.00 0.00 C ATOM 1011 CG LYS A 61 -7.442 10.323 -13.406 1.00 0.00 C ATOM 1012 CD LYS A 61 -8.893 9.820 -13.462 1.00 0.00 C ATOM 1013 CE LYS A 61 -9.078 8.493 -12.708 1.00 0.00 C ATOM 1014 NZ LYS A 61 -10.466 7.975 -12.825 1.00 0.00 N ATOM 0 H LYS A 61 -4.391 9.727 -11.532 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.614 12.180 -12.677 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.017 9.847 -11.344 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.733 11.430 -11.576 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.332 11.179 -14.072 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.777 9.543 -13.777 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.554 10.574 -13.034 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.190 9.689 -14.502 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.381 7.753 -13.100 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.832 8.637 -11.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.730 7.488 -11.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.119 8.767 -12.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.521 7.307 -13.620 1.00 0.00 H new ATOM 1028 N THR A 62 -5.632 13.121 -10.245 1.00 0.00 N ATOM 1029 CA THR A 62 -5.318 13.727 -8.956 1.00 0.00 C ATOM 1030 C THR A 62 -6.618 13.745 -8.156 1.00 0.00 C ATOM 1031 O THR A 62 -7.637 14.246 -8.638 1.00 0.00 O ATOM 1032 CB THR A 62 -4.690 15.110 -9.188 1.00 0.00 C ATOM 1033 OG1 THR A 62 -3.632 15.014 -10.129 1.00 0.00 O ATOM 1034 CG2 THR A 62 -4.092 15.671 -7.901 1.00 0.00 C ATOM 0 H THR A 62 -6.136 13.739 -10.881 1.00 0.00 H new ATOM 0 HA THR A 62 -4.578 13.169 -8.382 1.00 0.00 H new ATOM 0 HB THR A 62 -5.484 15.764 -9.549 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.239 15.901 -10.271 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.656 16.650 -8.099 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.874 15.768 -7.148 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.318 14.996 -7.535 1.00 0.00 H new ATOM 1042 N VAL A 63 -6.605 13.176 -6.949 1.00 0.00 N ATOM 1043 CA VAL A 63 -7.817 12.922 -6.189 1.00 0.00 C ATOM 1044 C VAL A 63 -7.625 13.265 -4.712 1.00 0.00 C ATOM 1045 O VAL A 63 -6.516 13.270 -4.177 1.00 0.00 O ATOM 1046 CB VAL A 63 -8.262 11.449 -6.371 1.00 0.00 C ATOM 1047 CG1 VAL A 63 -8.585 11.090 -7.832 1.00 0.00 C ATOM 1048 CG2 VAL A 63 -7.234 10.424 -5.864 1.00 0.00 C ATOM 0 H VAL A 63 -5.751 12.881 -6.476 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.606 13.569 -6.571 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.165 11.388 -5.763 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.890 10.045 -7.891 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.394 11.725 -8.192 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.700 11.245 -8.449 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.616 9.416 -6.025 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.297 10.549 -6.408 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.059 10.580 -4.799 1.00 0.00 H new ATOM 1058 N GLU A 64 -8.735 13.550 -4.049 1.00 0.00 N ATOM 1059 CA GLU A 64 -8.826 13.683 -2.607 1.00 0.00 C ATOM 1060 C GLU A 64 -9.511 12.399 -2.149 1.00 0.00 C ATOM 1061 O GLU A 64 -10.556 12.039 -2.691 1.00 0.00 O ATOM 1062 CB GLU A 64 -9.625 14.944 -2.237 1.00 0.00 C ATOM 1063 CG GLU A 64 -9.677 15.133 -0.715 1.00 0.00 C ATOM 1064 CD GLU A 64 -10.347 16.465 -0.332 1.00 0.00 C ATOM 1065 OE1 GLU A 64 -11.586 16.504 -0.163 1.00 0.00 O ATOM 1066 OE2 GLU A 64 -9.636 17.484 -0.174 1.00 0.00 O ATOM 0 H GLU A 64 -9.628 13.700 -4.519 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.857 13.804 -2.122 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.168 15.818 -2.700 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.638 14.867 -2.633 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -10.225 14.306 -0.264 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.666 15.104 -0.309 1.00 0.00 H new ATOM 1073 N VAL A 65 -8.920 11.678 -1.203 1.00 0.00 N ATOM 1074 CA VAL A 65 -9.413 10.386 -0.753 1.00 0.00 C ATOM 1075 C VAL A 65 -10.123 10.576 0.583 1.00 0.00 C ATOM 1076 O VAL A 65 -9.579 11.193 1.501 1.00 0.00 O ATOM 1077 CB VAL A 65 -8.311 9.304 -0.751 1.00 0.00 C ATOM 1078 CG1 VAL A 65 -7.329 9.423 -1.930 1.00 0.00 C ATOM 1079 CG2 VAL A 65 -7.542 9.112 0.547 1.00 0.00 C ATOM 0 H VAL A 65 -8.073 11.981 -0.722 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.145 9.997 -1.461 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.908 8.400 -0.870 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.583 8.631 -1.864 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.875 9.330 -2.869 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.833 10.393 -1.894 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.799 8.325 0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.042 10.043 0.815 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.233 8.830 1.341 1.00 0.00 H new ATOM 1089 N LEU A 66 -11.353 10.074 0.681 1.00 0.00 N ATOM 1090 CA LEU A 66 -12.239 10.355 1.803 1.00 0.00 C ATOM 1091 C LEU A 66 -12.062 9.336 2.931 1.00 0.00 C ATOM 1092 O LEU A 66 -12.418 9.633 4.073 1.00 0.00 O ATOM 1093 CB LEU A 66 -13.713 10.351 1.345 1.00 0.00 C ATOM 1094 CG LEU A 66 -14.163 11.428 0.333 1.00 0.00 C ATOM 1095 CD1 LEU A 66 -13.711 12.839 0.730 1.00 0.00 C ATOM 1096 CD2 LEU A 66 -13.724 11.135 -1.107 1.00 0.00 C ATOM 0 H LEU A 66 -11.763 9.458 -0.021 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.974 11.342 2.181 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.924 9.375 0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.338 10.445 2.233 1.00 0.00 H new ATOM 0 HG LEU A 66 -15.252 11.388 0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -14.055 13.555 -0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -14.133 13.097 1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.623 12.870 0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -14.074 11.932 -1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.636 11.080 -1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -14.149 10.185 -1.431 1.00 0.00 H new ATOM 1108 N GLY A 67 -11.544 8.142 2.634 1.00 0.00 N ATOM 1109 CA GLY A 67 -11.523 7.023 3.556 1.00 0.00 C ATOM 1110 C GLY A 67 -11.366 5.728 2.773 1.00 0.00 C ATOM 1111 O GLY A 67 -11.387 5.725 1.538 1.00 0.00 O ATOM 0 H GLY A 67 -11.123 7.930 1.730 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -10.701 7.135 4.263 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -12.444 7.000 4.138 1.00 0.00 H new ATOM 1115 N MET A 68 -11.219 4.622 3.496 1.00 0.00 N ATOM 1116 CA MET A 68 -11.284 3.285 2.912 1.00 0.00 C ATOM 1117 C MET A 68 -12.689 3.066 2.344 1.00 0.00 C ATOM 1118 O MET A 68 -13.671 3.612 2.859 1.00 0.00 O ATOM 1119 CB MET A 68 -10.993 2.199 3.963 1.00 0.00 C ATOM 1120 CG MET A 68 -9.566 2.206 4.522 1.00 0.00 C ATOM 1121 SD MET A 68 -8.245 1.727 3.371 1.00 0.00 S ATOM 1122 CE MET A 68 -8.500 -0.068 3.313 1.00 0.00 C ATOM 0 H MET A 68 -11.052 4.626 4.502 1.00 0.00 H new ATOM 0 HA MET A 68 -10.530 3.211 2.128 1.00 0.00 H new ATOM 0 HB2 MET A 68 -11.692 2.319 4.791 1.00 0.00 H new ATOM 0 HB3 MET A 68 -11.189 1.223 3.519 1.00 0.00 H new ATOM 0 HG2 MET A 68 -9.349 3.208 4.893 1.00 0.00 H new ATOM 0 HG3 MET A 68 -9.532 1.534 5.380 1.00 0.00 H new ATOM 0 HE1 MET A 68 -7.754 -0.521 2.660 1.00 0.00 H new ATOM 0 HE2 MET A 68 -8.402 -0.482 4.317 1.00 0.00 H new ATOM 0 HE3 MET A 68 -9.497 -0.282 2.928 1.00 0.00 H new ATOM 1132 N ALA A 69 -12.787 2.249 1.295 1.00 0.00 N ATOM 1133 CA ALA A 69 -14.070 1.774 0.794 1.00 0.00 C ATOM 1134 C ALA A 69 -14.670 0.792 1.822 1.00 0.00 C ATOM 1135 O ALA A 69 -13.977 0.403 2.771 1.00 0.00 O ATOM 1136 CB ALA A 69 -13.869 1.127 -0.579 1.00 0.00 C ATOM 0 H ALA A 69 -11.982 1.901 0.774 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.771 2.599 0.667 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -14.827 0.770 -0.957 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.457 1.862 -1.271 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.180 0.288 -0.488 1.00 0.00 H new ATOM 1142 N PRO A 70 -15.943 0.385 1.677 1.00 0.00 N ATOM 1143 CA PRO A 70 -16.575 -0.526 2.614 1.00 0.00 C ATOM 1144 C PRO A 70 -15.801 -1.828 2.823 1.00 0.00 C ATOM 1145 O PRO A 70 -15.306 -2.462 1.885 1.00 0.00 O ATOM 1146 CB PRO A 70 -17.973 -0.804 2.062 1.00 0.00 C ATOM 1147 CG PRO A 70 -18.282 0.454 1.254 1.00 0.00 C ATOM 1148 CD PRO A 70 -16.914 0.838 0.691 1.00 0.00 C ATOM 0 HA PRO A 70 -16.606 -0.065 3.601 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -17.990 -1.698 1.439 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -18.698 -0.959 2.861 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -19.005 0.259 0.462 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -18.699 1.244 1.879 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -16.741 0.365 -0.275 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -16.842 1.915 0.536 1.00 0.00 H new ATOM 1156 N ASP A 71 -15.806 -2.278 4.074 1.00 0.00 N ATOM 1157 CA ASP A 71 -15.333 -3.595 4.491 1.00 0.00 C ATOM 1158 C ASP A 71 -16.092 -4.723 3.777 1.00 0.00 C ATOM 1159 O ASP A 71 -15.586 -5.837 3.675 1.00 0.00 O ATOM 1160 CB ASP A 71 -15.495 -3.749 6.010 1.00 0.00 C ATOM 1161 CG ASP A 71 -16.950 -4.002 6.442 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -17.747 -3.038 6.469 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -17.301 -5.155 6.782 1.00 0.00 O ATOM 0 H ASP A 71 -16.151 -1.717 4.853 1.00 0.00 H new ATOM 0 HA ASP A 71 -14.280 -3.671 4.219 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -14.872 -4.575 6.353 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -15.128 -2.848 6.501 1.00 0.00 H new ATOM 1168 N ASP A 72 -17.285 -4.426 3.251 1.00 0.00 N ATOM 1169 CA ASP A 72 -18.129 -5.351 2.497 1.00 0.00 C ATOM 1170 C ASP A 72 -17.510 -5.751 1.151 1.00 0.00 C ATOM 1171 O ASP A 72 -17.879 -6.787 0.597 1.00 0.00 O ATOM 1172 CB ASP A 72 -19.501 -4.703 2.267 1.00 0.00 C ATOM 1173 CG ASP A 72 -20.461 -5.639 1.512 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -20.898 -6.660 2.090 1.00 0.00 O ATOM 1175 OD2 ASP A 72 -20.835 -5.327 0.358 1.00 0.00 O ATOM 0 H ASP A 72 -17.702 -3.500 3.344 1.00 0.00 H new ATOM 0 HA ASP A 72 -18.229 -6.264 3.084 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -19.939 -4.432 3.227 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -19.376 -3.780 1.702 1.00 0.00 H new ATOM 1180 N GLU A 73 -16.556 -4.968 0.630 1.00 0.00 N ATOM 1181 CA GLU A 73 -15.933 -5.213 -0.673 1.00 0.00 C ATOM 1182 C GLU A 73 -14.404 -5.265 -0.601 1.00 0.00 C ATOM 1183 O GLU A 73 -13.779 -5.858 -1.481 1.00 0.00 O ATOM 1184 CB GLU A 73 -16.442 -4.204 -1.717 1.00 0.00 C ATOM 1185 CG GLU A 73 -16.084 -2.737 -1.432 1.00 0.00 C ATOM 1186 CD GLU A 73 -16.593 -1.825 -2.563 1.00 0.00 C ATOM 1187 OE1 GLU A 73 -15.852 -1.599 -3.547 1.00 0.00 O ATOM 1188 OE2 GLU A 73 -17.742 -1.335 -2.488 1.00 0.00 O ATOM 0 H GLU A 73 -16.194 -4.142 1.106 1.00 0.00 H new ATOM 0 HA GLU A 73 -16.238 -6.208 -0.998 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -16.038 -4.478 -2.692 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -17.526 -4.291 -1.785 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.522 -2.428 -0.483 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.003 -2.633 -1.333 1.00 0.00 H new ATOM 1195 N CYS A 74 -13.784 -4.743 0.464 1.00 0.00 N ATOM 1196 CA CYS A 74 -12.337 -4.828 0.670 1.00 0.00 C ATOM 1197 C CYS A 74 -11.912 -6.210 1.204 1.00 0.00 C ATOM 1198 O CYS A 74 -11.134 -6.303 2.153 1.00 0.00 O ATOM 1199 CB CYS A 74 -11.865 -3.692 1.580 1.00 0.00 C ATOM 1200 SG CYS A 74 -12.262 -2.086 0.839 1.00 0.00 S ATOM 0 H CYS A 74 -14.275 -4.248 1.209 1.00 0.00 H new ATOM 0 HA CYS A 74 -11.849 -4.712 -0.297 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.342 -3.777 2.557 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -10.790 -3.770 1.742 1.00 0.00 H new ATOM 0 HG CYS A 74 -13.517 -1.813 1.041 1.00 0.00 H new ATOM 1206 N LEU A 75 -12.457 -7.289 0.633 1.00 0.00 N ATOM 1207 CA LEU A 75 -12.233 -8.670 1.072 1.00 0.00 C ATOM 1208 C LEU A 75 -11.284 -9.425 0.131 1.00 0.00 C ATOM 1209 O LEU A 75 -10.941 -10.574 0.409 1.00 0.00 O ATOM 1210 CB LEU A 75 -13.586 -9.399 1.195 1.00 0.00 C ATOM 1211 CG LEU A 75 -14.454 -8.877 2.357 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -15.895 -9.367 2.196 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -13.924 -9.327 3.726 1.00 0.00 C ATOM 0 H LEU A 75 -13.083 -7.224 -0.169 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.750 -8.643 2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.137 -9.289 0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -13.406 -10.465 1.335 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.416 -7.788 2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -16.501 -8.993 3.022 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -16.301 -9.000 1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -15.911 -10.457 2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.568 -8.935 4.513 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -13.916 -10.416 3.773 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -12.911 -8.950 3.866 1.00 0.00 H new ATOM 1225 N LYS A 76 -10.853 -8.800 -0.974 1.00 0.00 N ATOM 1226 CA LYS A 76 -10.005 -9.422 -2.000 1.00 0.00 C ATOM 1227 C LYS A 76 -8.827 -8.528 -2.396 1.00 0.00 C ATOM 1228 O LYS A 76 -7.821 -9.036 -2.888 1.00 0.00 O ATOM 1229 CB LYS A 76 -10.844 -9.764 -3.245 1.00 0.00 C ATOM 1230 CG LYS A 76 -11.959 -10.785 -2.961 1.00 0.00 C ATOM 1231 CD LYS A 76 -12.709 -11.153 -4.251 1.00 0.00 C ATOM 1232 CE LYS A 76 -13.880 -12.116 -3.998 1.00 0.00 C ATOM 1233 NZ LYS A 76 -13.441 -13.473 -3.581 1.00 0.00 N ATOM 0 H LYS A 76 -11.089 -7.830 -1.183 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.595 -10.336 -1.571 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.289 -8.850 -3.638 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.188 -10.158 -4.021 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.530 -11.683 -2.516 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.659 -10.372 -2.234 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.085 -10.244 -4.720 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.013 -11.610 -4.954 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.527 -11.697 -3.227 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -14.478 -12.197 -4.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -14.275 -14.075 -3.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.847 -13.890 -4.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.894 -13.405 -2.699 1.00 0.00 H new ATOM 1247 N ASP A 77 -8.938 -7.219 -2.176 1.00 0.00 N ATOM 1248 CA ASP A 77 -7.922 -6.196 -2.410 1.00 0.00 C ATOM 1249 C ASP A 77 -8.346 -4.993 -1.555 1.00 0.00 C ATOM 1250 O ASP A 77 -9.477 -4.974 -1.052 1.00 0.00 O ATOM 1251 CB ASP A 77 -7.870 -5.839 -3.907 1.00 0.00 C ATOM 1252 CG ASP A 77 -6.710 -4.912 -4.312 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -5.774 -4.689 -3.512 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -6.714 -4.444 -5.472 1.00 0.00 O ATOM 0 H ASP A 77 -9.799 -6.819 -1.804 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.921 -6.532 -2.138 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.797 -6.761 -4.483 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.810 -5.363 -4.185 1.00 0.00 H new ATOM 1259 N MET A 78 -7.472 -4.010 -1.352 1.00 0.00 N ATOM 1260 CA MET A 78 -7.785 -2.814 -0.568 1.00 0.00 C ATOM 1261 C MET A 78 -8.252 -1.694 -1.499 1.00 0.00 C ATOM 1262 O MET A 78 -7.702 -1.515 -2.589 1.00 0.00 O ATOM 1263 CB MET A 78 -6.553 -2.373 0.235 1.00 0.00 C ATOM 1264 CG MET A 78 -6.188 -3.346 1.363 1.00 0.00 C ATOM 1265 SD MET A 78 -7.395 -3.483 2.713 1.00 0.00 S ATOM 1266 CE MET A 78 -8.102 -5.113 2.348 1.00 0.00 C ATOM 0 H MET A 78 -6.523 -4.019 -1.727 1.00 0.00 H new ATOM 0 HA MET A 78 -8.588 -3.043 0.133 1.00 0.00 H new ATOM 0 HB2 MET A 78 -5.703 -2.274 -0.440 1.00 0.00 H new ATOM 0 HB3 MET A 78 -6.738 -1.387 0.660 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.042 -4.336 0.930 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.232 -3.039 1.786 1.00 0.00 H new ATOM 0 HE1 MET A 78 -8.948 -5.299 3.010 1.00 0.00 H new ATOM 0 HE2 MET A 78 -8.439 -5.140 1.312 1.00 0.00 H new ATOM 0 HE3 MET A 78 -7.344 -5.881 2.503 1.00 0.00 H new ATOM 1276 N TYR A 79 -9.226 -0.892 -1.055 1.00 0.00 N ATOM 1277 CA TYR A 79 -9.852 0.159 -1.856 1.00 0.00 C ATOM 1278 C TYR A 79 -10.150 1.382 -0.984 1.00 0.00 C ATOM 1279 O TYR A 79 -10.268 1.272 0.238 1.00 0.00 O ATOM 1280 CB TYR A 79 -11.159 -0.349 -2.489 1.00 0.00 C ATOM 1281 CG TYR A 79 -11.076 -1.562 -3.398 1.00 0.00 C ATOM 1282 CD1 TYR A 79 -11.199 -2.853 -2.851 1.00 0.00 C ATOM 1283 CD2 TYR A 79 -10.975 -1.403 -4.794 1.00 0.00 C ATOM 1284 CE1 TYR A 79 -11.217 -3.983 -3.684 1.00 0.00 C ATOM 1285 CE2 TYR A 79 -10.995 -2.530 -5.636 1.00 0.00 C ATOM 1286 CZ TYR A 79 -11.112 -3.828 -5.085 1.00 0.00 C ATOM 1287 OH TYR A 79 -11.132 -4.914 -5.908 1.00 0.00 O ATOM 0 H TYR A 79 -9.606 -0.959 -0.111 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.160 0.440 -2.649 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -11.855 -0.581 -1.683 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.595 0.470 -3.061 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -11.280 -2.975 -1.781 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -10.882 -0.414 -5.219 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.311 -4.970 -3.255 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -10.921 -2.404 -6.706 1.00 0.00 H new ATOM 0 HH TYR A 79 -11.050 -4.620 -6.839 1.00 0.00 H new ATOM 1297 N VAL A 80 -10.306 2.540 -1.625 1.00 0.00 N ATOM 1298 CA VAL A 80 -10.507 3.840 -0.997 1.00 0.00 C ATOM 1299 C VAL A 80 -11.556 4.603 -1.803 1.00 0.00 C ATOM 1300 O VAL A 80 -11.613 4.477 -3.028 1.00 0.00 O ATOM 1301 CB VAL A 80 -9.175 4.623 -0.902 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -8.320 4.129 0.272 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -8.322 4.557 -2.182 1.00 0.00 C ATOM 0 H VAL A 80 -10.295 2.597 -2.643 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.862 3.711 0.025 1.00 0.00 H new ATOM 0 HB VAL A 80 -9.474 5.660 -0.750 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.392 4.699 0.311 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.869 4.265 1.204 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.091 3.072 0.136 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.405 5.129 -2.038 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.071 3.519 -2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.884 4.977 -3.016 1.00 0.00 H new ATOM 1313 N GLU A 81 -12.395 5.377 -1.120 1.00 0.00 N ATOM 1314 CA GLU A 81 -13.315 6.310 -1.760 1.00 0.00 C ATOM 1315 C GLU A 81 -12.523 7.565 -2.122 1.00 0.00 C ATOM 1316 O GLU A 81 -11.735 8.047 -1.302 1.00 0.00 O ATOM 1317 CB GLU A 81 -14.472 6.674 -0.819 1.00 0.00 C ATOM 1318 CG GLU A 81 -15.379 5.474 -0.524 1.00 0.00 C ATOM 1319 CD GLU A 81 -16.634 5.895 0.262 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -16.550 6.109 1.493 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -17.726 6.002 -0.341 1.00 0.00 O ATOM 0 H GLU A 81 -12.455 5.374 -0.102 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.747 5.853 -2.650 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -14.069 7.061 0.117 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.064 7.473 -1.266 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -15.676 5.002 -1.461 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -14.824 4.729 0.046 1.00 0.00 H new ATOM 1328 N VAL A 82 -12.730 8.112 -3.320 1.00 0.00 N ATOM 1329 CA VAL A 82 -11.931 9.219 -3.838 1.00 0.00 C ATOM 1330 C VAL A 82 -12.822 10.186 -4.616 1.00 0.00 C ATOM 1331 O VAL A 82 -13.796 9.763 -5.234 1.00 0.00 O ATOM 1332 CB VAL A 82 -10.750 8.697 -4.696 1.00 0.00 C ATOM 1333 CG1 VAL A 82 -9.890 7.645 -3.980 1.00 0.00 C ATOM 1334 CG2 VAL A 82 -11.164 8.105 -6.053 1.00 0.00 C ATOM 0 H VAL A 82 -13.460 7.797 -3.960 1.00 0.00 H new ATOM 0 HA VAL A 82 -11.495 9.765 -3.001 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.168 9.603 -4.865 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.083 7.325 -4.639 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -9.468 8.077 -3.073 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -10.508 6.786 -3.719 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.277 7.764 -6.587 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.837 7.262 -5.892 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -11.672 8.868 -6.643 1.00 0.00 H new ATOM 1344 N ALA A 83 -12.478 11.470 -4.639 1.00 0.00 N ATOM 1345 CA ALA A 83 -13.165 12.503 -5.397 1.00 0.00 C ATOM 1346 C ALA A 83 -12.118 13.193 -6.262 1.00 0.00 C ATOM 1347 O ALA A 83 -11.008 13.475 -5.805 1.00 0.00 O ATOM 1348 CB ALA A 83 -13.848 13.490 -4.446 1.00 0.00 C ATOM 0 H ALA A 83 -11.684 11.830 -4.110 1.00 0.00 H new ATOM 0 HA ALA A 83 -13.947 12.079 -6.027 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -14.359 14.259 -5.025 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -14.573 12.959 -3.829 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.099 13.956 -3.806 1.00 0.00 H new ATOM 1354 N ASP A 84 -12.456 13.422 -7.527 1.00 0.00 N ATOM 1355 CA ASP A 84 -11.540 14.007 -8.503 1.00 0.00 C ATOM 1356 C ASP A 84 -11.293 15.482 -8.197 1.00 0.00 C ATOM 1357 O ASP A 84 -12.241 16.262 -8.121 1.00 0.00 O ATOM 1358 CB ASP A 84 -12.133 13.869 -9.906 1.00 0.00 C ATOM 1359 CG ASP A 84 -11.324 14.671 -10.930 1.00 0.00 C ATOM 1360 OD1 ASP A 84 -10.086 14.512 -10.982 1.00 0.00 O ATOM 1361 OD2 ASP A 84 -11.935 15.488 -11.650 1.00 0.00 O ATOM 0 H ASP A 84 -13.378 13.206 -7.907 1.00 0.00 H new ATOM 0 HA ASP A 84 -10.589 13.477 -8.449 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -12.150 12.818 -10.195 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -13.166 14.216 -9.903 1.00 0.00 H new ATOM 1366 N ILE A 85 -10.028 15.880 -8.053 1.00 0.00 N ATOM 1367 CA ILE A 85 -9.655 17.277 -7.835 1.00 0.00 C ATOM 1368 C ILE A 85 -9.628 18.019 -9.187 1.00 0.00 C ATOM 1369 O ILE A 85 -9.784 19.242 -9.213 1.00 0.00 O ATOM 1370 CB ILE A 85 -8.319 17.347 -7.048 1.00 0.00 C ATOM 1371 CG1 ILE A 85 -8.462 16.662 -5.666 1.00 0.00 C ATOM 1372 CG2 ILE A 85 -7.844 18.791 -6.808 1.00 0.00 C ATOM 1373 CD1 ILE A 85 -7.149 16.547 -4.879 1.00 0.00 C ATOM 0 H ILE A 85 -9.233 15.242 -8.084 1.00 0.00 H new ATOM 0 HA ILE A 85 -10.395 17.787 -7.219 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.583 16.832 -7.666 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -9.182 17.222 -5.069 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.875 15.663 -5.809 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.906 18.778 -6.253 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.692 19.288 -7.766 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.597 19.331 -6.234 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -7.339 16.056 -3.925 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.431 15.960 -5.452 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.743 17.543 -4.700 1.00 0.00 H new ATOM 1457 N VAL A 92 -18.070 11.333 -6.399 1.00 0.00 N ATOM 1458 CA VAL A 92 -17.117 10.474 -5.716 1.00 0.00 C ATOM 1459 C VAL A 92 -17.109 9.102 -6.400 1.00 0.00 C ATOM 1460 O VAL A 92 -18.075 8.691 -7.050 1.00 0.00 O ATOM 1461 CB VAL A 92 -17.491 10.439 -4.216 1.00 0.00 C ATOM 1462 CG1 VAL A 92 -18.844 9.763 -3.934 1.00 0.00 C ATOM 1463 CG2 VAL A 92 -16.416 9.817 -3.315 1.00 0.00 C ATOM 0 HA VAL A 92 -16.095 10.848 -5.778 1.00 0.00 H new ATOM 0 HB VAL A 92 -17.572 11.495 -3.960 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -19.040 9.775 -2.862 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -19.636 10.302 -4.454 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -18.816 8.732 -4.286 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -16.756 9.831 -2.280 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -16.234 8.787 -3.623 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -15.493 10.390 -3.401 1.00 0.00 H new ATOM 1473 N TYR A 93 -15.989 8.411 -6.241 1.00 0.00 N ATOM 1474 CA TYR A 93 -15.613 7.193 -6.930 1.00 0.00 C ATOM 1475 C TYR A 93 -14.900 6.279 -5.929 1.00 0.00 C ATOM 1476 O TYR A 93 -14.718 6.637 -4.761 1.00 0.00 O ATOM 1477 CB TYR A 93 -14.679 7.561 -8.103 1.00 0.00 C ATOM 1478 CG TYR A 93 -15.212 8.635 -9.040 1.00 0.00 C ATOM 1479 CD1 TYR A 93 -16.045 8.280 -10.117 1.00 0.00 C ATOM 1480 CD2 TYR A 93 -14.895 9.992 -8.817 1.00 0.00 C ATOM 1481 CE1 TYR A 93 -16.564 9.271 -10.969 1.00 0.00 C ATOM 1482 CE2 TYR A 93 -15.419 10.990 -9.658 1.00 0.00 C ATOM 1483 CZ TYR A 93 -16.255 10.633 -10.741 1.00 0.00 C ATOM 1484 OH TYR A 93 -16.751 11.602 -11.560 1.00 0.00 O ATOM 0 H TYR A 93 -15.272 8.711 -5.580 1.00 0.00 H new ATOM 0 HA TYR A 93 -16.485 6.674 -7.327 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.725 7.897 -7.696 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -14.479 6.661 -8.684 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -16.287 7.242 -10.290 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -14.247 10.265 -7.997 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -17.198 8.993 -11.797 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -15.183 12.028 -9.477 1.00 0.00 H new ATOM 0 HH TYR A 93 -16.438 12.479 -11.255 1.00 0.00 H new ATOM 1494 N THR A 94 -14.445 5.125 -6.405 1.00 0.00 N ATOM 1495 CA THR A 94 -13.658 4.179 -5.629 1.00 0.00 C ATOM 1496 C THR A 94 -12.428 3.827 -6.463 1.00 0.00 C ATOM 1497 O THR A 94 -12.532 3.623 -7.676 1.00 0.00 O ATOM 1498 CB THR A 94 -14.510 2.948 -5.256 1.00 0.00 C ATOM 1499 OG1 THR A 94 -15.807 3.335 -4.825 1.00 0.00 O ATOM 1500 CG2 THR A 94 -13.854 2.148 -4.127 1.00 0.00 C ATOM 0 H THR A 94 -14.618 4.817 -7.362 1.00 0.00 H new ATOM 0 HA THR A 94 -13.332 4.607 -4.681 1.00 0.00 H new ATOM 0 HB THR A 94 -14.586 2.333 -6.153 1.00 0.00 H new ATOM 0 HG1 THR A 94 -16.327 2.537 -4.596 1.00 0.00 H new ATOM 0 HG21 THR A 94 -14.475 1.286 -3.884 1.00 0.00 H new ATOM 0 HG22 THR A 94 -12.869 1.807 -4.447 1.00 0.00 H new ATOM 0 HG23 THR A 94 -13.750 2.781 -3.246 1.00 0.00 H new ATOM 1508 N ALA A 95 -11.273 3.756 -5.805 1.00 0.00 N ATOM 1509 CA ALA A 95 -9.995 3.400 -6.395 1.00 0.00 C ATOM 1510 C ALA A 95 -9.396 2.274 -5.560 1.00 0.00 C ATOM 1511 O ALA A 95 -9.696 2.150 -4.371 1.00 0.00 O ATOM 1512 CB ALA A 95 -9.075 4.627 -6.394 1.00 0.00 C ATOM 0 H ALA A 95 -11.205 3.954 -4.807 1.00 0.00 H new ATOM 0 HA ALA A 95 -10.117 3.069 -7.426 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -8.115 4.362 -6.837 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -9.534 5.427 -6.975 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -8.921 4.966 -5.369 1.00 0.00 H new ATOM 1518 N LYS A 96 -8.534 1.455 -6.160 1.00 0.00 N ATOM 1519 CA LYS A 96 -7.749 0.497 -5.406 1.00 0.00 C ATOM 1520 C LYS A 96 -6.738 1.315 -4.616 1.00 0.00 C ATOM 1521 O LYS A 96 -6.069 2.176 -5.191 1.00 0.00 O ATOM 1522 CB LYS A 96 -7.029 -0.465 -6.363 1.00 0.00 C ATOM 1523 CG LYS A 96 -7.976 -1.423 -7.105 1.00 0.00 C ATOM 1524 CD LYS A 96 -7.251 -2.135 -8.258 1.00 0.00 C ATOM 1525 CE LYS A 96 -7.231 -1.272 -9.532 1.00 0.00 C ATOM 1526 NZ LYS A 96 -6.143 -1.660 -10.460 1.00 0.00 N ATOM 0 H LYS A 96 -8.366 1.441 -7.166 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.374 -0.107 -4.748 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.468 0.117 -7.095 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.304 -1.050 -5.798 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.370 -2.162 -6.408 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.828 -0.867 -7.495 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.229 -2.366 -7.958 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.744 -3.084 -8.468 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.190 -1.361 -10.043 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.113 -0.224 -9.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.117 -0.998 -11.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.232 -1.632 -9.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -6.314 -2.623 -10.813 1.00 0.00 H new ATOM 1540 N LEU A 97 -6.569 1.024 -3.327 1.00 0.00 N ATOM 1541 CA LEU A 97 -5.456 1.593 -2.559 1.00 0.00 C ATOM 1542 C LEU A 97 -4.142 1.158 -3.227 1.00 0.00 C ATOM 1543 O LEU A 97 -3.158 1.891 -3.244 1.00 0.00 O ATOM 1544 CB LEU A 97 -5.512 1.101 -1.103 1.00 0.00 C ATOM 1545 CG LEU A 97 -4.364 1.635 -0.219 1.00 0.00 C ATOM 1546 CD1 LEU A 97 -4.401 3.161 -0.070 1.00 0.00 C ATOM 1547 CD2 LEU A 97 -4.453 0.990 1.163 1.00 0.00 C ATOM 0 H LEU A 97 -7.180 0.405 -2.795 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.522 2.681 -2.547 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.464 1.400 -0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.486 0.011 -1.096 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.424 1.377 -0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.573 3.485 0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.312 3.625 -1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.344 3.459 0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.645 1.363 1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.411 1.238 1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.367 -0.092 1.066 1.00 0.00 H new ATOM 1559 N SER A 98 -4.179 -0.021 -3.844 1.00 0.00 N ATOM 1560 CA SER A 98 -3.118 -0.664 -4.598 1.00 0.00 C ATOM 1561 C SER A 98 -2.749 0.094 -5.887 1.00 0.00 C ATOM 1562 O SER A 98 -1.783 -0.280 -6.554 1.00 0.00 O ATOM 1563 CB SER A 98 -3.611 -2.095 -4.875 1.00 0.00 C ATOM 1564 OG SER A 98 -4.155 -2.617 -3.669 1.00 0.00 O ATOM 0 H SER A 98 -5.023 -0.594 -3.825 1.00 0.00 H new ATOM 0 HA SER A 98 -2.189 -0.670 -4.028 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.365 -2.092 -5.662 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.789 -2.720 -5.223 1.00 0.00 H new ATOM 0 HG SER A 98 -4.580 -3.481 -3.849 1.00 0.00 H new ATOM 1570 N ASP A 99 -3.482 1.163 -6.228 1.00 0.00 N ATOM 1571 CA ASP A 99 -3.260 2.023 -7.391 1.00 0.00 C ATOM 1572 C ASP A 99 -3.161 3.488 -6.934 1.00 0.00 C ATOM 1573 O ASP A 99 -3.210 4.394 -7.760 1.00 0.00 O ATOM 1574 CB ASP A 99 -4.409 1.863 -8.411 1.00 0.00 C ATOM 1575 CG ASP A 99 -4.330 0.627 -9.305 1.00 0.00 C ATOM 1576 OD1 ASP A 99 -4.101 -0.506 -8.829 1.00 0.00 O ATOM 1577 OD2 ASP A 99 -4.580 0.759 -10.520 1.00 0.00 O ATOM 0 H ASP A 99 -4.283 1.463 -5.672 1.00 0.00 H new ATOM 0 HA ASP A 99 -2.328 1.730 -7.875 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.353 1.836 -7.867 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.433 2.748 -9.047 1.00 0.00 H new ATOM 1582 N ILE A 100 -3.035 3.760 -5.633 1.00 0.00 N ATOM 1583 CA ILE A 100 -2.992 5.109 -5.073 1.00 0.00 C ATOM 1584 C ILE A 100 -1.613 5.332 -4.469 1.00 0.00 C ATOM 1585 O ILE A 100 -0.974 4.418 -3.942 1.00 0.00 O ATOM 1586 CB ILE A 100 -4.160 5.288 -4.065 1.00 0.00 C ATOM 1587 CG1 ILE A 100 -5.439 5.692 -4.831 1.00 0.00 C ATOM 1588 CG2 ILE A 100 -3.895 6.236 -2.875 1.00 0.00 C ATOM 1589 CD1 ILE A 100 -5.666 7.195 -5.030 1.00 0.00 C ATOM 0 H ILE A 100 -2.958 3.030 -4.925 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.136 5.872 -5.838 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.282 4.316 -3.586 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.415 5.217 -5.812 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.299 5.284 -4.300 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.781 6.281 -2.241 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.051 5.863 -2.294 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.666 7.234 -3.249 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.594 7.353 -5.580 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.732 7.685 -4.058 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.834 7.617 -5.593 1.00 0.00 H new ATOM 1601 N GLU A 101 -1.186 6.586 -4.528 1.00 0.00 N ATOM 1602 CA GLU A 101 -0.011 7.088 -3.838 1.00 0.00 C ATOM 1603 C GLU A 101 -0.411 8.425 -3.219 1.00 0.00 C ATOM 1604 O GLU A 101 -1.103 9.218 -3.861 1.00 0.00 O ATOM 1605 CB GLU A 101 1.158 7.213 -4.829 1.00 0.00 C ATOM 1606 CG GLU A 101 2.444 7.766 -4.194 1.00 0.00 C ATOM 1607 CD GLU A 101 2.949 6.926 -3.004 1.00 0.00 C ATOM 1608 OE1 GLU A 101 2.361 7.024 -1.902 1.00 0.00 O ATOM 1609 OE2 GLU A 101 3.947 6.188 -3.169 1.00 0.00 O ATOM 0 H GLU A 101 -1.664 7.302 -5.075 1.00 0.00 H new ATOM 0 HA GLU A 101 0.331 6.415 -3.052 1.00 0.00 H new ATOM 0 HB2 GLU A 101 1.367 6.233 -5.258 1.00 0.00 H new ATOM 0 HB3 GLU A 101 0.859 7.864 -5.651 1.00 0.00 H new ATOM 0 HG2 GLU A 101 3.224 7.813 -4.953 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.265 8.787 -3.858 1.00 0.00 H new ATOM 1616 N ALA A 102 -0.033 8.667 -1.965 1.00 0.00 N ATOM 1617 CA ALA A 102 -0.394 9.899 -1.281 1.00 0.00 C ATOM 1618 C ALA A 102 0.478 11.061 -1.750 1.00 0.00 C ATOM 1619 O ALA A 102 1.606 10.882 -2.216 1.00 0.00 O ATOM 1620 CB ALA A 102 -0.250 9.747 0.232 1.00 0.00 C ATOM 0 H ALA A 102 0.524 8.022 -1.404 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.435 10.110 -1.524 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -0.526 10.682 0.720 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.905 8.949 0.581 1.00 0.00 H new ATOM 0 HB3 ALA A 102 0.784 9.502 0.476 1.00 0.00 H new ATOM 1626 N ILE A 103 -0.040 12.267 -1.536 1.00 0.00 N ATOM 1627 CA ILE A 103 0.649 13.525 -1.781 1.00 0.00 C ATOM 1628 C ILE A 103 0.620 14.320 -0.473 1.00 0.00 C ATOM 1629 O ILE A 103 -0.438 14.496 0.133 1.00 0.00 O ATOM 1630 CB ILE A 103 -0.032 14.276 -2.953 1.00 0.00 C ATOM 1631 CG1 ILE A 103 0.019 13.470 -4.275 1.00 0.00 C ATOM 1632 CG2 ILE A 103 0.611 15.658 -3.172 1.00 0.00 C ATOM 1633 CD1 ILE A 103 -0.942 14.002 -5.346 1.00 0.00 C ATOM 0 H ILE A 103 -0.985 12.397 -1.174 1.00 0.00 H new ATOM 0 HA ILE A 103 1.686 13.370 -2.078 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.078 14.402 -2.672 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.036 13.491 -4.666 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.221 12.427 -4.067 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.114 16.163 -4.000 1.00 0.00 H new ATOM 0 HG22 ILE A 103 0.506 16.256 -2.267 1.00 0.00 H new ATOM 0 HG23 ILE A 103 1.669 15.534 -3.404 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.857 13.393 -6.246 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.965 13.956 -4.972 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -0.688 15.036 -5.582 1.00 0.00 H new ATOM 1645 N ASP A 104 1.796 14.826 -0.080 1.00 0.00 N ATOM 1646 CA ASP A 104 2.009 15.749 1.041 1.00 0.00 C ATOM 1647 C ASP A 104 1.314 15.302 2.340 1.00 0.00 C ATOM 1648 O ASP A 104 0.703 16.102 3.053 1.00 0.00 O ATOM 1649 CB ASP A 104 1.658 17.182 0.608 1.00 0.00 C ATOM 1650 CG ASP A 104 2.059 18.237 1.657 1.00 0.00 C ATOM 1651 OD1 ASP A 104 3.194 18.184 2.184 1.00 0.00 O ATOM 1652 OD2 ASP A 104 1.266 19.171 1.917 1.00 0.00 O ATOM 0 H ASP A 104 2.666 14.591 -0.558 1.00 0.00 H new ATOM 0 HA ASP A 104 3.068 15.733 1.300 1.00 0.00 H new ATOM 0 HB2 ASP A 104 2.158 17.405 -0.335 1.00 0.00 H new ATOM 0 HB3 ASP A 104 0.586 17.249 0.423 1.00 0.00 H new ATOM 1657 N VAL A 105 1.367 13.997 2.628 1.00 0.00 N ATOM 1658 CA VAL A 105 0.669 13.394 3.765 1.00 0.00 C ATOM 1659 C VAL A 105 1.619 13.176 4.955 1.00 0.00 C ATOM 1660 O VAL A 105 2.833 13.377 4.842 1.00 0.00 O ATOM 1661 CB VAL A 105 -0.077 12.129 3.287 1.00 0.00 C ATOM 1662 CG1 VAL A 105 0.794 10.866 3.216 1.00 0.00 C ATOM 1663 CG2 VAL A 105 -1.343 11.891 4.110 1.00 0.00 C ATOM 0 H VAL A 105 1.900 13.326 2.074 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.089 14.075 4.152 1.00 0.00 H new ATOM 0 HB VAL A 105 -0.363 12.334 2.255 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.190 10.026 2.871 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.617 11.030 2.521 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.194 10.644 4.205 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.847 10.994 3.751 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.076 11.762 5.159 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.010 12.747 4.008 1.00 0.00 H new ATOM 1673 N ASP A 106 1.064 12.788 6.109 1.00 0.00 N ATOM 1674 CA ASP A 106 1.829 12.488 7.317 1.00 0.00 C ATOM 1675 C ASP A 106 2.594 11.169 7.170 1.00 0.00 C ATOM 1676 O ASP A 106 2.240 10.306 6.362 1.00 0.00 O ATOM 1677 CB ASP A 106 0.925 12.477 8.565 1.00 0.00 C ATOM 1678 CG ASP A 106 0.752 11.082 9.188 1.00 0.00 C ATOM 1679 OD1 ASP A 106 -0.075 10.299 8.675 1.00 0.00 O ATOM 1680 OD2 ASP A 106 1.462 10.777 10.173 1.00 0.00 O ATOM 0 H ASP A 106 0.057 12.673 6.228 1.00 0.00 H new ATOM 0 HA ASP A 106 2.562 13.283 7.453 1.00 0.00 H new ATOM 0 HB2 ASP A 106 1.344 13.150 9.313 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -0.056 12.870 8.296 1.00 0.00 H new ATOM 1685 N ASP A 107 3.636 11.008 7.984 1.00 0.00 N ATOM 1686 CA ASP A 107 4.531 9.863 7.921 1.00 0.00 C ATOM 1687 C ASP A 107 3.801 8.529 8.088 1.00 0.00 C ATOM 1688 O ASP A 107 4.100 7.594 7.351 1.00 0.00 O ATOM 1689 CB ASP A 107 5.627 9.999 8.982 1.00 0.00 C ATOM 1690 CG ASP A 107 6.586 8.797 8.949 1.00 0.00 C ATOM 1691 OD1 ASP A 107 7.416 8.710 8.016 1.00 0.00 O ATOM 1692 OD2 ASP A 107 6.558 7.972 9.890 1.00 0.00 O ATOM 0 H ASP A 107 3.882 11.678 8.712 1.00 0.00 H new ATOM 0 HA ASP A 107 4.975 9.858 6.925 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.187 10.919 8.814 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.173 10.078 9.970 1.00 0.00 H new ATOM 1697 N ASP A 108 2.829 8.425 9.001 1.00 0.00 N ATOM 1698 CA ASP A 108 2.137 7.159 9.245 1.00 0.00 C ATOM 1699 C ASP A 108 1.259 6.800 8.048 1.00 0.00 C ATOM 1700 O ASP A 108 1.297 5.661 7.580 1.00 0.00 O ATOM 1701 CB ASP A 108 1.293 7.195 10.529 1.00 0.00 C ATOM 1702 CG ASP A 108 2.130 6.943 11.792 1.00 0.00 C ATOM 1703 OD1 ASP A 108 2.622 5.807 11.980 1.00 0.00 O ATOM 1704 OD2 ASP A 108 2.279 7.864 12.627 1.00 0.00 O ATOM 0 H ASP A 108 2.506 9.200 9.580 1.00 0.00 H new ATOM 0 HA ASP A 108 2.900 6.393 9.380 1.00 0.00 H new ATOM 0 HB2 ASP A 108 0.802 8.165 10.610 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.506 6.444 10.463 1.00 0.00 H new ATOM 1709 N THR A 109 0.508 7.760 7.504 1.00 0.00 N ATOM 1710 CA THR A 109 -0.310 7.535 6.322 1.00 0.00 C ATOM 1711 C THR A 109 0.578 7.069 5.164 1.00 0.00 C ATOM 1712 O THR A 109 0.276 6.059 4.523 1.00 0.00 O ATOM 1713 CB THR A 109 -1.121 8.809 6.007 1.00 0.00 C ATOM 1714 OG1 THR A 109 -1.853 9.203 7.150 1.00 0.00 O ATOM 1715 CG2 THR A 109 -2.152 8.610 4.897 1.00 0.00 C ATOM 0 H THR A 109 0.453 8.710 7.872 1.00 0.00 H new ATOM 0 HA THR A 109 -1.035 6.740 6.496 1.00 0.00 H new ATOM 0 HB THR A 109 -0.389 9.553 5.692 1.00 0.00 H new ATOM 0 HG1 THR A 109 -1.377 9.926 7.610 1.00 0.00 H new ATOM 0 HG21 THR A 109 -2.687 9.544 4.726 1.00 0.00 H new ATOM 0 HG22 THR A 109 -1.646 8.308 3.980 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.860 7.835 5.192 1.00 0.00 H new ATOM 1723 N GLN A 110 1.709 7.742 4.933 1.00 0.00 N ATOM 1724 CA GLN A 110 2.608 7.375 3.857 1.00 0.00 C ATOM 1725 C GLN A 110 3.215 5.983 4.082 1.00 0.00 C ATOM 1726 O GLN A 110 3.365 5.231 3.115 1.00 0.00 O ATOM 1727 CB GLN A 110 3.678 8.463 3.706 1.00 0.00 C ATOM 1728 CG GLN A 110 4.575 8.259 2.482 1.00 0.00 C ATOM 1729 CD GLN A 110 3.815 8.228 1.154 1.00 0.00 C ATOM 1730 OE1 GLN A 110 3.597 9.263 0.530 1.00 0.00 O ATOM 1731 NE2 GLN A 110 3.411 7.053 0.695 1.00 0.00 N ATOM 0 H GLN A 110 2.016 8.544 5.483 1.00 0.00 H new ATOM 0 HA GLN A 110 2.049 7.309 2.923 1.00 0.00 H new ATOM 0 HB2 GLN A 110 3.191 9.435 3.634 1.00 0.00 H new ATOM 0 HB3 GLN A 110 4.297 8.482 4.603 1.00 0.00 H new ATOM 0 HG2 GLN A 110 5.314 9.060 2.448 1.00 0.00 H new ATOM 0 HG3 GLN A 110 5.123 7.324 2.597 1.00 0.00 H new ATOM 0 HE21 GLN A 110 3.602 6.204 1.228 1.00 0.00 H new ATOM 0 HE22 GLN A 110 2.909 6.997 -0.191 1.00 0.00 H new ATOM 1740 N GLU A 111 3.537 5.626 5.328 1.00 0.00 N ATOM 1741 CA GLU A 111 4.094 4.325 5.677 1.00 0.00 C ATOM 1742 C GLU A 111 3.114 3.207 5.349 1.00 0.00 C ATOM 1743 O GLU A 111 3.524 2.225 4.738 1.00 0.00 O ATOM 1744 CB GLU A 111 4.469 4.269 7.169 1.00 0.00 C ATOM 1745 CG GLU A 111 5.851 4.861 7.460 1.00 0.00 C ATOM 1746 CD GLU A 111 6.973 3.886 7.080 1.00 0.00 C ATOM 1747 OE1 GLU A 111 7.345 3.024 7.907 1.00 0.00 O ATOM 1748 OE2 GLU A 111 7.502 3.964 5.950 1.00 0.00 O ATOM 0 H GLU A 111 3.415 6.244 6.130 1.00 0.00 H new ATOM 0 HA GLU A 111 4.997 4.184 5.083 1.00 0.00 H new ATOM 0 HB2 GLU A 111 3.719 4.809 7.747 1.00 0.00 H new ATOM 0 HB3 GLU A 111 4.445 3.233 7.505 1.00 0.00 H new ATOM 0 HG2 GLU A 111 5.973 5.792 6.906 1.00 0.00 H new ATOM 0 HG3 GLU A 111 5.926 5.109 8.519 1.00 0.00 H new ATOM 1755 N ALA A 112 1.833 3.346 5.703 1.00 0.00 N ATOM 1756 CA ALA A 112 0.835 2.320 5.428 1.00 0.00 C ATOM 1757 C ALA A 112 0.713 2.067 3.926 1.00 0.00 C ATOM 1758 O ALA A 112 0.577 0.922 3.501 1.00 0.00 O ATOM 1759 CB ALA A 112 -0.513 2.760 5.992 1.00 0.00 C ATOM 0 H ALA A 112 1.465 4.167 6.184 1.00 0.00 H new ATOM 0 HA ALA A 112 1.148 1.391 5.905 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.261 1.994 5.787 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.427 2.905 7.069 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -0.815 3.696 5.523 1.00 0.00 H new ATOM 1765 N ILE A 113 0.768 3.134 3.127 1.00 0.00 N ATOM 1766 CA ILE A 113 0.651 3.048 1.679 1.00 0.00 C ATOM 1767 C ILE A 113 1.875 2.321 1.121 1.00 0.00 C ATOM 1768 O ILE A 113 1.724 1.326 0.414 1.00 0.00 O ATOM 1769 CB ILE A 113 0.483 4.469 1.109 1.00 0.00 C ATOM 1770 CG1 ILE A 113 -0.858 5.064 1.584 1.00 0.00 C ATOM 1771 CG2 ILE A 113 0.571 4.487 -0.423 1.00 0.00 C ATOM 1772 CD1 ILE A 113 -0.868 6.585 1.516 1.00 0.00 C ATOM 0 H ILE A 113 0.896 4.085 3.473 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.226 2.473 1.383 1.00 0.00 H new ATOM 0 HB ILE A 113 1.304 5.082 1.483 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.667 4.669 0.969 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.052 4.746 2.609 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.447 5.509 -0.783 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.544 4.107 -0.736 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.215 3.858 -0.840 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.833 6.958 1.860 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.077 6.983 2.152 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.702 6.904 0.487 1.00 0.00 H new ATOM 1784 N ALA A 114 3.081 2.786 1.458 1.00 0.00 N ATOM 1785 CA ALA A 114 4.323 2.183 0.988 1.00 0.00 C ATOM 1786 C ALA A 114 4.397 0.705 1.390 1.00 0.00 C ATOM 1787 O ALA A 114 4.763 -0.147 0.580 1.00 0.00 O ATOM 1788 CB ALA A 114 5.507 2.964 1.568 1.00 0.00 C ATOM 0 H ALA A 114 3.220 3.593 2.066 1.00 0.00 H new ATOM 0 HA ALA A 114 4.358 2.229 -0.100 1.00 0.00 H new ATOM 0 HB1 ALA A 114 6.440 2.520 1.222 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.455 4.002 1.239 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.469 2.927 2.657 1.00 0.00 H new ATOM 1794 N ASP A 115 4.013 0.407 2.631 1.00 0.00 N ATOM 1795 CA ASP A 115 4.021 -0.941 3.180 1.00 0.00 C ATOM 1796 C ASP A 115 3.038 -1.846 2.446 1.00 0.00 C ATOM 1797 O ASP A 115 3.398 -2.957 2.053 1.00 0.00 O ATOM 1798 CB ASP A 115 3.705 -0.895 4.675 1.00 0.00 C ATOM 1799 CG ASP A 115 3.746 -2.290 5.301 1.00 0.00 C ATOM 1800 OD1 ASP A 115 2.696 -2.964 5.351 1.00 0.00 O ATOM 1801 OD2 ASP A 115 4.816 -2.671 5.830 1.00 0.00 O ATOM 0 H ASP A 115 3.683 1.111 3.291 1.00 0.00 H new ATOM 0 HA ASP A 115 5.017 -1.362 3.041 1.00 0.00 H new ATOM 0 HB2 ASP A 115 4.422 -0.248 5.180 1.00 0.00 H new ATOM 0 HB3 ASP A 115 2.719 -0.456 4.826 1.00 0.00 H new ATOM 1806 N TRP A 116 1.823 -1.351 2.180 1.00 0.00 N ATOM 1807 CA TRP A 116 0.844 -2.091 1.407 1.00 0.00 C ATOM 1808 C TRP A 116 1.357 -2.333 -0.013 1.00 0.00 C ATOM 1809 O TRP A 116 1.143 -3.413 -0.555 1.00 0.00 O ATOM 1810 CB TRP A 116 -0.499 -1.350 1.390 1.00 0.00 C ATOM 1811 CG TRP A 116 -1.556 -2.052 0.593 1.00 0.00 C ATOM 1812 CD1 TRP A 116 -2.029 -1.653 -0.609 1.00 0.00 C ATOM 1813 CD2 TRP A 116 -2.203 -3.336 0.867 1.00 0.00 C ATOM 1814 NE1 TRP A 116 -2.899 -2.601 -1.103 1.00 0.00 N ATOM 1815 CE2 TRP A 116 -3.013 -3.681 -0.256 1.00 0.00 C ATOM 1816 CE3 TRP A 116 -2.164 -4.261 1.934 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 -3.711 -4.896 -0.336 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 -2.885 -5.470 1.878 1.00 0.00 C ATOM 1819 CH2 TRP A 116 -3.646 -5.796 0.740 1.00 0.00 C ATOM 0 H TRP A 116 1.503 -0.435 2.495 1.00 0.00 H new ATOM 0 HA TRP A 116 0.687 -3.061 1.879 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -0.850 -1.225 2.414 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -0.349 -0.351 0.981 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -1.765 -0.731 -1.107 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -3.398 -2.513 -1.988 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -1.571 -4.037 2.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -4.291 -5.136 -1.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -2.853 -6.152 2.715 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -4.178 -6.735 0.694 1.00 0.00 H new ATOM 1830 N LEU A 117 2.052 -1.366 -0.621 1.00 0.00 N ATOM 1831 CA LEU A 117 2.515 -1.487 -1.996 1.00 0.00 C ATOM 1832 C LEU A 117 3.611 -2.545 -2.128 1.00 0.00 C ATOM 1833 O LEU A 117 3.549 -3.328 -3.076 1.00 0.00 O ATOM 1834 CB LEU A 117 2.972 -0.124 -2.541 1.00 0.00 C ATOM 1835 CG LEU A 117 1.797 0.831 -2.848 1.00 0.00 C ATOM 1836 CD1 LEU A 117 2.330 2.250 -3.055 1.00 0.00 C ATOM 1837 CD2 LEU A 117 0.993 0.400 -4.083 1.00 0.00 C ATOM 0 H LEU A 117 2.305 -0.486 -0.173 1.00 0.00 H new ATOM 0 HA LEU A 117 1.675 -1.822 -2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.635 0.347 -1.815 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.553 -0.279 -3.450 1.00 0.00 H new ATOM 0 HG LEU A 117 1.122 0.798 -1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 117 1.500 2.922 -3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.840 2.583 -2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 117 3.030 2.257 -3.890 1.00 0.00 H new ATOM 0 HD21 LEU A 117 0.180 1.106 -4.253 1.00 0.00 H new ATOM 0 HD22 LEU A 117 1.647 0.383 -4.955 1.00 0.00 H new ATOM 0 HD23 LEU A 117 0.581 -0.596 -3.919 1.00 0.00 H new ATOM 1849 N TYR A 118 4.582 -2.641 -1.205 1.00 0.00 N ATOM 1850 CA TYR A 118 5.534 -3.752 -1.290 1.00 0.00 C ATOM 1851 C TYR A 118 4.878 -5.077 -0.892 1.00 0.00 C ATOM 1852 O TYR A 118 5.181 -6.100 -1.507 1.00 0.00 O ATOM 1853 CB TYR A 118 6.891 -3.482 -0.615 1.00 0.00 C ATOM 1854 CG TYR A 118 6.952 -3.104 0.856 1.00 0.00 C ATOM 1855 CD1 TYR A 118 6.526 -3.999 1.858 1.00 0.00 C ATOM 1856 CD2 TYR A 118 7.548 -1.882 1.229 1.00 0.00 C ATOM 1857 CE1 TYR A 118 6.626 -3.645 3.214 1.00 0.00 C ATOM 1858 CE2 TYR A 118 7.691 -1.539 2.584 1.00 0.00 C ATOM 1859 CZ TYR A 118 7.207 -2.410 3.584 1.00 0.00 C ATOM 1860 OH TYR A 118 7.229 -2.011 4.884 1.00 0.00 O ATOM 0 H TYR A 118 4.724 -1.995 -0.428 1.00 0.00 H new ATOM 0 HA TYR A 118 5.807 -3.847 -2.341 1.00 0.00 H new ATOM 0 HB2 TYR A 118 7.500 -4.377 -0.744 1.00 0.00 H new ATOM 0 HB3 TYR A 118 7.377 -2.683 -1.174 1.00 0.00 H new ATOM 0 HD1 TYR A 118 6.121 -4.961 1.582 1.00 0.00 H new ATOM 0 HD2 TYR A 118 7.898 -1.203 0.466 1.00 0.00 H new ATOM 0 HE1 TYR A 118 6.258 -4.317 3.975 1.00 0.00 H new ATOM 0 HE2 TYR A 118 8.170 -0.611 2.860 1.00 0.00 H new ATOM 0 HH TYR A 118 6.464 -2.399 5.358 1.00 0.00 H new ATOM 1870 N TRP A 119 3.918 -5.092 0.040 1.00 0.00 N ATOM 1871 CA TRP A 119 3.142 -6.297 0.317 1.00 0.00 C ATOM 1872 C TRP A 119 2.408 -6.760 -0.951 1.00 0.00 C ATOM 1873 O TRP A 119 2.384 -7.955 -1.244 1.00 0.00 O ATOM 1874 CB TRP A 119 2.188 -6.048 1.490 1.00 0.00 C ATOM 1875 CG TRP A 119 1.166 -7.117 1.703 1.00 0.00 C ATOM 1876 CD1 TRP A 119 -0.076 -7.100 1.176 1.00 0.00 C ATOM 1877 CD2 TRP A 119 1.278 -8.389 2.414 1.00 0.00 C ATOM 1878 NE1 TRP A 119 -0.756 -8.239 1.544 1.00 0.00 N ATOM 1879 CE2 TRP A 119 0.032 -9.079 2.303 1.00 0.00 C ATOM 1880 CE3 TRP A 119 2.310 -9.039 3.128 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 -0.179 -10.343 2.878 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 2.112 -10.312 3.699 1.00 0.00 C ATOM 1883 CH2 TRP A 119 0.870 -10.962 3.578 1.00 0.00 C ATOM 0 H TRP A 119 3.664 -4.285 0.610 1.00 0.00 H new ATOM 0 HA TRP A 119 3.812 -7.105 0.611 1.00 0.00 H new ATOM 0 HB2 TRP A 119 2.776 -5.940 2.402 1.00 0.00 H new ATOM 0 HB3 TRP A 119 1.674 -5.101 1.328 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -0.477 -6.310 0.558 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -1.723 -8.437 1.287 1.00 0.00 H new ATOM 0 HE3 TRP A 119 3.267 -8.551 3.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -1.137 -10.833 2.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 2.919 -10.792 4.233 1.00 0.00 H new ATOM 0 HH2 TRP A 119 0.723 -11.935 4.023 1.00 0.00 H new ATOM 1894 N LEU A 120 1.888 -5.823 -1.752 1.00 0.00 N ATOM 1895 CA LEU A 120 1.278 -6.116 -3.041 1.00 0.00 C ATOM 1896 C LEU A 120 2.288 -6.834 -3.940 1.00 0.00 C ATOM 1897 O LEU A 120 1.978 -7.873 -4.524 1.00 0.00 O ATOM 1898 CB LEU A 120 0.804 -4.817 -3.723 1.00 0.00 C ATOM 1899 CG LEU A 120 -0.425 -5.058 -4.610 1.00 0.00 C ATOM 1900 CD1 LEU A 120 -1.692 -4.910 -3.761 1.00 0.00 C ATOM 1901 CD2 LEU A 120 -0.459 -4.059 -5.772 1.00 0.00 C ATOM 0 H LEU A 120 1.882 -4.831 -1.515 1.00 0.00 H new ATOM 0 HA LEU A 120 0.414 -6.760 -2.879 1.00 0.00 H new ATOM 0 HB2 LEU A 120 0.564 -4.073 -2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 120 1.614 -4.406 -4.326 1.00 0.00 H new ATOM 0 HG LEU A 120 -0.371 -6.064 -5.026 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -2.570 -5.080 -4.385 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -1.675 -5.640 -2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -1.734 -3.905 -3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.338 -4.247 -6.388 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -0.503 -3.044 -5.378 1.00 0.00 H new ATOM 0 HD23 LEU A 120 0.440 -4.174 -6.377 1.00 0.00 H new ATOM 1913 N ALA A 121 3.512 -6.296 -4.010 1.00 0.00 N ATOM 1914 CA ALA A 121 4.595 -6.820 -4.833 1.00 0.00 C ATOM 1915 C ALA A 121 5.049 -8.224 -4.409 1.00 0.00 C ATOM 1916 O ALA A 121 5.643 -8.930 -5.227 1.00 0.00 O ATOM 1917 CB ALA A 121 5.780 -5.847 -4.812 1.00 0.00 C ATOM 0 H ALA A 121 3.777 -5.465 -3.481 1.00 0.00 H new ATOM 0 HA ALA A 121 4.208 -6.914 -5.848 1.00 0.00 H new ATOM 0 HB1 ALA A 121 6.587 -6.243 -5.429 1.00 0.00 H new ATOM 0 HB2 ALA A 121 5.464 -4.880 -5.205 1.00 0.00 H new ATOM 0 HB3 ALA A 121 6.132 -5.725 -3.788 1.00 0.00 H new ATOM 1923 N ARG A 122 4.761 -8.667 -3.175 1.00 0.00 N ATOM 1924 CA ARG A 122 5.007 -10.061 -2.775 1.00 0.00 C ATOM 1925 C ARG A 122 4.181 -11.060 -3.594 1.00 0.00 C ATOM 1926 O ARG A 122 4.502 -12.249 -3.572 1.00 0.00 O ATOM 1927 CB ARG A 122 4.724 -10.304 -1.282 1.00 0.00 C ATOM 1928 CG ARG A 122 5.616 -9.492 -0.343 1.00 0.00 C ATOM 1929 CD ARG A 122 5.398 -9.881 1.128 1.00 0.00 C ATOM 1930 NE ARG A 122 6.657 -10.292 1.780 1.00 0.00 N ATOM 1931 CZ ARG A 122 6.808 -11.264 2.690 1.00 0.00 C ATOM 1932 NH1 ARG A 122 5.781 -12.008 3.094 1.00 0.00 N ATOM 1933 NH2 ARG A 122 8.006 -11.488 3.202 1.00 0.00 N ATOM 0 H ARG A 122 4.360 -8.084 -2.441 1.00 0.00 H new ATOM 0 HA ARG A 122 6.067 -10.226 -2.970 1.00 0.00 H new ATOM 0 HB2 ARG A 122 3.681 -10.063 -1.076 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.855 -11.364 -1.065 1.00 0.00 H new ATOM 0 HG2 ARG A 122 6.661 -9.648 -0.609 1.00 0.00 H new ATOM 0 HG3 ARG A 122 5.409 -8.430 -0.473 1.00 0.00 H new ATOM 0 HD2 ARG A 122 4.969 -9.037 1.667 1.00 0.00 H new ATOM 0 HD3 ARG A 122 4.676 -10.696 1.185 1.00 0.00 H new ATOM 0 HE ARG A 122 7.499 -9.784 1.510 1.00 0.00 H new ATOM 0 HH11 ARG A 122 4.851 -11.845 2.709 1.00 0.00 H new ATOM 0 HH12 ARG A 122 5.924 -12.741 3.788 1.00 0.00 H new ATOM 0 HH21 ARG A 122 8.802 -10.924 2.904 1.00 0.00 H new ATOM 0 HH22 ARG A 122 8.135 -12.225 3.896 1.00 0.00 H new