USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 431 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 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0376 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.205 K(o=-0.2,f=-1.2!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.0262 X(o=-0.026,f=-0.45) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.409 X(o=-0.41,f=-0.87) USER MOD Single : A 46 TYR OH : rot 39:sc= 1.24 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc=-0.00343 USER MOD Single : A 75 SER OG : rot -29:sc= 0.344 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.0268 X(o=-0.027,f=-0.22) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -57:sc= 0.848 USER MOD ----------------------------------------------------------------- ATOM 231 N ARG A 18 34.351 -15.496 1.825 1.00 0.00 N ATOM 232 CA ARG A 18 35.734 -15.664 1.398 1.00 0.00 C ATOM 233 C ARG A 18 36.387 -16.840 2.119 1.00 0.00 C ATOM 234 O ARG A 18 36.051 -17.144 3.265 1.00 0.00 O ATOM 235 CB ARG A 18 36.531 -14.385 1.661 1.00 0.00 C ATOM 236 CG ARG A 18 36.662 -14.042 3.136 1.00 0.00 C ATOM 237 CD ARG A 18 37.964 -14.569 3.717 1.00 0.00 C ATOM 238 NE ARG A 18 38.442 -13.747 4.825 1.00 0.00 N ATOM 239 CZ ARG A 18 39.024 -12.564 4.665 1.00 0.00 C ATOM 240 NH1 ARG A 18 39.199 -12.067 3.448 1.00 0.00 N ATOM 241 NH2 ARG A 18 39.432 -11.875 5.723 1.00 0.00 N ATOM 0 HA ARG A 18 35.734 -15.870 0.328 1.00 0.00 H new ATOM 0 HB2 ARG A 18 37.527 -14.493 1.232 1.00 0.00 H new ATOM 0 HB3 ARG A 18 36.050 -13.554 1.145 1.00 0.00 H new ATOM 0 HG2 ARG A 18 36.616 -12.961 3.265 1.00 0.00 H new ATOM 0 HG3 ARG A 18 35.820 -14.464 3.685 1.00 0.00 H new ATOM 0 HD2 ARG A 18 37.819 -15.593 4.062 1.00 0.00 H new ATOM 0 HD3 ARG A 18 38.723 -14.600 2.935 1.00 0.00 H new ATOM 0 HE ARG A 18 38.322 -14.101 5.774 1.00 0.00 H new ATOM 0 HH11 ARG A 18 38.886 -12.594 2.632 1.00 0.00 H new ATOM 0 HH12 ARG A 18 39.646 -11.158 3.328 1.00 0.00 H new ATOM 0 HH21 ARG A 18 39.299 -12.254 6.661 1.00 0.00 H new ATOM 0 HH22 ARG A 18 39.879 -10.967 5.599 1.00 0.00 H new ATOM 255 N LEU A 19 37.321 -17.498 1.442 1.00 0.00 N ATOM 256 CA LEU A 19 38.022 -18.641 2.017 1.00 0.00 C ATOM 257 C LEU A 19 39.530 -18.499 1.843 1.00 0.00 C ATOM 258 O LEU A 19 40.000 -17.812 0.935 1.00 0.00 O ATOM 259 CB LEU A 19 37.542 -19.939 1.366 1.00 0.00 C ATOM 260 CG LEU A 19 36.027 -20.118 1.263 1.00 0.00 C ATOM 261 CD1 LEU A 19 35.684 -21.193 0.243 1.00 0.00 C ATOM 262 CD2 LEU A 19 35.437 -20.463 2.622 1.00 0.00 C ATOM 0 H LEU A 19 37.611 -17.260 0.494 1.00 0.00 H new ATOM 0 HA LEU A 19 37.800 -18.673 3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 19 37.964 -19.996 0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 19 37.949 -20.778 1.931 1.00 0.00 H new ATOM 0 HG LEU A 19 35.592 -19.176 0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.602 -21.306 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 19 36.073 -20.905 -0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 19 36.132 -22.139 0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.358 -20.587 2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 19 35.879 -21.391 2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 19 35.651 -19.659 3.326 1.00 0.00 H new ATOM 274 N LEU A 20 40.286 -19.154 2.718 1.00 0.00 N ATOM 275 CA LEU A 20 41.742 -19.104 2.660 1.00 0.00 C ATOM 276 C LEU A 20 42.314 -20.425 2.157 1.00 0.00 C ATOM 277 O LEU A 20 41.591 -21.410 2.010 1.00 0.00 O ATOM 278 CB LEU A 20 42.316 -18.779 4.041 1.00 0.00 C ATOM 279 CG LEU A 20 42.192 -17.324 4.494 1.00 0.00 C ATOM 280 CD1 LEU A 20 42.685 -17.167 5.924 1.00 0.00 C ATOM 281 CD2 LEU A 20 42.965 -16.406 3.558 1.00 0.00 C ATOM 0 H LEU A 20 39.914 -19.726 3.476 1.00 0.00 H new ATOM 0 HA LEU A 20 42.026 -18.318 1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 20 41.819 -19.411 4.777 1.00 0.00 H new ATOM 0 HB3 LEU A 20 43.371 -19.052 4.047 1.00 0.00 H new ATOM 0 HG LEU A 20 41.140 -17.041 4.461 1.00 0.00 H new ATOM 0 HD11 LEU A 20 42.589 -16.125 6.230 1.00 0.00 H new ATOM 0 HD12 LEU A 20 42.089 -17.795 6.586 1.00 0.00 H new ATOM 0 HD13 LEU A 20 43.731 -17.468 5.983 1.00 0.00 H new ATOM 0 HD21 LEU A 20 42.865 -15.374 3.896 1.00 0.00 H new ATOM 0 HD22 LEU A 20 44.018 -16.688 3.559 1.00 0.00 H new ATOM 0 HD23 LEU A 20 42.566 -16.497 2.548 1.00 0.00 H new ATOM 293 N GLY A 21 43.618 -20.440 1.897 1.00 0.00 N ATOM 294 CA GLY A 21 44.265 -21.646 1.416 1.00 0.00 C ATOM 295 C GLY A 21 45.775 -21.523 1.390 1.00 0.00 C ATOM 296 O GLY A 21 46.328 -20.496 1.784 1.00 0.00 O ATOM 0 H GLY A 21 44.238 -19.638 2.011 1.00 0.00 H new ATOM 0 HA2 GLY A 21 43.983 -22.485 2.053 1.00 0.00 H new ATOM 0 HA3 GLY A 21 43.905 -21.872 0.412 1.00 0.00 H new ATOM 300 N TYR A 22 46.445 -22.573 0.928 1.00 0.00 N ATOM 301 CA TYR A 22 47.901 -22.580 0.857 1.00 0.00 C ATOM 302 C TYR A 22 48.378 -23.098 -0.497 1.00 0.00 C ATOM 303 O TYR A 22 47.834 -24.063 -1.033 1.00 0.00 O ATOM 304 CB TYR A 22 48.484 -23.442 1.978 1.00 0.00 C ATOM 305 CG TYR A 22 47.932 -23.108 3.346 1.00 0.00 C ATOM 306 CD1 TYR A 22 48.088 -21.839 3.889 1.00 0.00 C ATOM 307 CD2 TYR A 22 47.256 -24.063 4.096 1.00 0.00 C ATOM 308 CE1 TYR A 22 47.586 -21.530 5.139 1.00 0.00 C ATOM 309 CE2 TYR A 22 46.750 -23.762 5.346 1.00 0.00 C ATOM 310 CZ TYR A 22 46.918 -22.495 5.863 1.00 0.00 C ATOM 311 OH TYR A 22 46.416 -22.192 7.108 1.00 0.00 O ATOM 0 H TYR A 22 46.003 -23.430 0.597 1.00 0.00 H new ATOM 0 HA TYR A 22 48.249 -21.554 0.978 1.00 0.00 H new ATOM 0 HB2 TYR A 22 48.283 -24.491 1.760 1.00 0.00 H new ATOM 0 HB3 TYR A 22 49.567 -23.321 1.993 1.00 0.00 H new ATOM 0 HD1 TYR A 22 48.611 -21.081 3.325 1.00 0.00 H new ATOM 0 HD2 TYR A 22 47.124 -25.057 3.695 1.00 0.00 H new ATOM 0 HE1 TYR A 22 47.716 -20.538 5.547 1.00 0.00 H new ATOM 0 HE2 TYR A 22 46.226 -24.515 5.915 1.00 0.00 H new ATOM 0 HH TYR A 22 45.973 -22.982 7.483 1.00 0.00 H new ATOM 321 N VAL A 23 49.400 -22.448 -1.045 1.00 0.00 N ATOM 322 CA VAL A 23 49.953 -22.842 -2.335 1.00 0.00 C ATOM 323 C VAL A 23 50.617 -24.212 -2.253 1.00 0.00 C ATOM 324 O VAL A 23 51.648 -24.376 -1.602 1.00 0.00 O ATOM 325 CB VAL A 23 50.983 -21.814 -2.842 1.00 0.00 C ATOM 326 CG1 VAL A 23 51.454 -22.176 -4.242 1.00 0.00 C ATOM 327 CG2 VAL A 23 50.394 -20.412 -2.814 1.00 0.00 C ATOM 0 H VAL A 23 49.862 -21.646 -0.615 1.00 0.00 H new ATOM 0 HA VAL A 23 49.120 -22.887 -3.036 1.00 0.00 H new ATOM 0 HB VAL A 23 51.847 -21.833 -2.178 1.00 0.00 H new ATOM 0 HG11 VAL A 23 52.181 -21.439 -4.583 1.00 0.00 H new ATOM 0 HG12 VAL A 23 51.918 -23.162 -4.226 1.00 0.00 H new ATOM 0 HG13 VAL A 23 50.602 -22.187 -4.921 1.00 0.00 H new ATOM 0 HG21 VAL A 23 51.135 -19.699 -3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 23 49.512 -20.375 -3.454 1.00 0.00 H new ATOM 0 HG23 VAL A 23 50.112 -20.156 -1.793 1.00 0.00 H new ATOM 337 N ALA A 24 50.018 -25.194 -2.919 1.00 0.00 N ATOM 338 CA ALA A 24 50.552 -26.550 -2.924 1.00 0.00 C ATOM 339 C ALA A 24 51.474 -26.773 -4.118 1.00 0.00 C ATOM 340 O ALA A 24 52.485 -27.468 -4.014 1.00 0.00 O ATOM 341 CB ALA A 24 49.417 -27.564 -2.935 1.00 0.00 C ATOM 0 H ALA A 24 49.163 -25.075 -3.462 1.00 0.00 H new ATOM 0 HA ALA A 24 51.138 -26.686 -2.015 1.00 0.00 H new ATOM 0 HB1 ALA A 24 49.830 -28.573 -2.939 1.00 0.00 H new ATOM 0 HB2 ALA A 24 48.799 -27.428 -2.047 1.00 0.00 H new ATOM 0 HB3 ALA A 24 48.808 -27.418 -3.827 1.00 0.00 H new ATOM 347 N THR A 25 51.119 -26.178 -5.253 1.00 0.00 N ATOM 348 CA THR A 25 51.914 -26.313 -6.467 1.00 0.00 C ATOM 349 C THR A 25 51.843 -25.048 -7.314 1.00 0.00 C ATOM 350 O THR A 25 50.771 -24.469 -7.496 1.00 0.00 O ATOM 351 CB THR A 25 51.446 -27.512 -7.315 1.00 0.00 C ATOM 352 OG1 THR A 25 51.299 -28.670 -6.486 1.00 0.00 O ATOM 353 CG2 THR A 25 52.437 -27.804 -8.431 1.00 0.00 C ATOM 0 H THR A 25 50.286 -25.598 -5.356 1.00 0.00 H new ATOM 0 HA THR A 25 52.944 -26.480 -6.153 1.00 0.00 H new ATOM 0 HB THR A 25 50.484 -27.260 -7.761 1.00 0.00 H new ATOM 0 HG1 THR A 25 51.000 -29.427 -7.032 1.00 0.00 H new ATOM 0 HG21 THR A 25 52.086 -28.654 -9.016 1.00 0.00 H new ATOM 0 HG22 THR A 25 52.525 -26.930 -9.077 1.00 0.00 H new ATOM 0 HG23 THR A 25 53.411 -28.037 -8.001 1.00 0.00 H new ATOM 361 N LEU A 26 52.990 -24.623 -7.832 1.00 0.00 N ATOM 362 CA LEU A 26 53.058 -23.425 -8.661 1.00 0.00 C ATOM 363 C LEU A 26 53.753 -23.719 -9.987 1.00 0.00 C ATOM 364 O LEU A 26 54.981 -23.767 -10.059 1.00 0.00 O ATOM 365 CB LEU A 26 53.798 -22.309 -7.921 1.00 0.00 C ATOM 366 CG LEU A 26 52.924 -21.202 -7.331 1.00 0.00 C ATOM 367 CD1 LEU A 26 53.705 -20.396 -6.304 1.00 0.00 C ATOM 368 CD2 LEU A 26 52.396 -20.295 -8.433 1.00 0.00 C ATOM 0 H LEU A 26 53.886 -25.090 -7.692 1.00 0.00 H new ATOM 0 HA LEU A 26 52.039 -23.100 -8.870 1.00 0.00 H new ATOM 0 HB2 LEU A 26 54.377 -22.757 -7.113 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.511 -21.854 -8.609 1.00 0.00 H new ATOM 0 HG LEU A 26 52.074 -21.665 -6.830 1.00 0.00 H new ATOM 0 HD11 LEU A 26 53.067 -19.613 -5.895 1.00 0.00 H new ATOM 0 HD12 LEU A 26 54.034 -21.053 -5.499 1.00 0.00 H new ATOM 0 HD13 LEU A 26 54.574 -19.944 -6.781 1.00 0.00 H new ATOM 0 HD21 LEU A 26 51.776 -19.513 -7.995 1.00 0.00 H new ATOM 0 HD22 LEU A 26 53.233 -19.840 -8.962 1.00 0.00 H new ATOM 0 HD23 LEU A 26 51.800 -20.881 -9.132 1.00 0.00 H new ATOM 380 N LYS A 27 52.960 -23.914 -11.035 1.00 0.00 N ATOM 381 CA LYS A 27 53.497 -24.200 -12.360 1.00 0.00 C ATOM 382 C LYS A 27 53.613 -22.924 -13.187 1.00 0.00 C ATOM 383 O LYS A 27 53.189 -21.852 -12.755 1.00 0.00 O ATOM 384 CB LYS A 27 52.608 -25.212 -13.086 1.00 0.00 C ATOM 385 CG LYS A 27 52.449 -26.526 -12.342 1.00 0.00 C ATOM 386 CD LYS A 27 53.489 -27.544 -12.780 1.00 0.00 C ATOM 387 CE LYS A 27 52.999 -28.968 -12.568 1.00 0.00 C ATOM 388 NZ LYS A 27 52.210 -29.463 -13.730 1.00 0.00 N ATOM 0 H LYS A 27 51.941 -23.879 -10.992 1.00 0.00 H new ATOM 0 HA LYS A 27 54.494 -24.624 -12.237 1.00 0.00 H new ATOM 0 HB2 LYS A 27 51.623 -24.771 -13.242 1.00 0.00 H new ATOM 0 HB3 LYS A 27 53.029 -25.411 -14.072 1.00 0.00 H new ATOM 0 HG2 LYS A 27 52.539 -26.351 -11.270 1.00 0.00 H new ATOM 0 HG3 LYS A 27 51.450 -26.926 -12.517 1.00 0.00 H new ATOM 0 HD2 LYS A 27 53.727 -27.393 -13.833 1.00 0.00 H new ATOM 0 HD3 LYS A 27 54.411 -27.388 -12.220 1.00 0.00 H new ATOM 0 HE2 LYS A 27 53.853 -29.625 -12.403 1.00 0.00 H new ATOM 0 HE3 LYS A 27 52.385 -29.011 -11.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 51.895 -30.437 -13.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 51.381 -28.852 -13.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 52.803 -29.447 -14.584 1.00 0.00 H new ATOM 402 N ASP A 28 54.189 -23.046 -14.377 1.00 0.00 N ATOM 403 CA ASP A 28 54.359 -21.903 -15.266 1.00 0.00 C ATOM 404 C ASP A 28 53.138 -21.727 -16.164 1.00 0.00 C ATOM 405 O ASP A 28 53.264 -21.606 -17.382 1.00 0.00 O ATOM 406 CB ASP A 28 55.615 -22.076 -16.121 1.00 0.00 C ATOM 407 CG ASP A 28 56.889 -21.861 -15.328 1.00 0.00 C ATOM 408 OD1 ASP A 28 56.826 -21.198 -14.271 1.00 0.00 O ATOM 409 OD2 ASP A 28 57.949 -22.357 -15.763 1.00 0.00 O ATOM 0 H ASP A 28 54.547 -23.926 -14.749 1.00 0.00 H new ATOM 0 HA ASP A 28 54.468 -21.010 -14.651 1.00 0.00 H new ATOM 0 HB2 ASP A 28 55.623 -23.077 -16.551 1.00 0.00 H new ATOM 0 HB3 ASP A 28 55.585 -21.372 -16.953 1.00 0.00 H new ATOM 414 N ASN A 29 51.958 -21.715 -15.554 1.00 0.00 N ATOM 415 CA ASN A 29 50.714 -21.555 -16.298 1.00 0.00 C ATOM 416 C ASN A 29 49.514 -21.542 -15.356 1.00 0.00 C ATOM 417 O ASN A 29 48.594 -20.739 -15.516 1.00 0.00 O ATOM 418 CB ASN A 29 50.560 -22.682 -17.322 1.00 0.00 C ATOM 419 CG ASN A 29 50.612 -22.176 -18.751 1.00 0.00 C ATOM 420 OD1 ASN A 29 50.207 -21.049 -19.037 1.00 0.00 O ATOM 421 ND2 ASN A 29 51.113 -23.010 -19.655 1.00 0.00 N ATOM 0 H ASN A 29 51.837 -21.814 -14.546 1.00 0.00 H new ATOM 0 HA ASN A 29 50.753 -20.600 -16.821 1.00 0.00 H new ATOM 0 HB2 ASN A 29 51.350 -23.417 -17.171 1.00 0.00 H new ATOM 0 HB3 ASN A 29 49.612 -23.194 -17.155 1.00 0.00 H new ATOM 0 HD21 ASN A 29 51.174 -22.726 -20.633 1.00 0.00 H new ATOM 0 HD22 ASN A 29 51.437 -23.935 -19.372 1.00 0.00 H new ATOM 428 N PHE A 30 49.531 -22.436 -14.373 1.00 0.00 N ATOM 429 CA PHE A 30 48.444 -22.528 -13.405 1.00 0.00 C ATOM 430 C PHE A 30 48.958 -23.024 -12.056 1.00 0.00 C ATOM 431 O PHE A 30 49.917 -23.792 -11.990 1.00 0.00 O ATOM 432 CB PHE A 30 47.349 -23.463 -13.922 1.00 0.00 C ATOM 433 CG PHE A 30 47.875 -24.764 -14.457 1.00 0.00 C ATOM 434 CD1 PHE A 30 48.366 -25.734 -13.598 1.00 0.00 C ATOM 435 CD2 PHE A 30 47.879 -25.017 -15.819 1.00 0.00 C ATOM 436 CE1 PHE A 30 48.852 -26.931 -14.088 1.00 0.00 C ATOM 437 CE2 PHE A 30 48.363 -26.213 -16.315 1.00 0.00 C ATOM 438 CZ PHE A 30 48.849 -27.172 -15.448 1.00 0.00 C ATOM 0 H PHE A 30 50.285 -23.107 -14.226 1.00 0.00 H new ATOM 0 HA PHE A 30 48.026 -21.531 -13.270 1.00 0.00 H new ATOM 0 HB2 PHE A 30 46.647 -23.669 -13.114 1.00 0.00 H new ATOM 0 HB3 PHE A 30 46.790 -22.955 -14.708 1.00 0.00 H new ATOM 0 HD1 PHE A 30 48.369 -25.552 -12.533 1.00 0.00 H new ATOM 0 HD2 PHE A 30 47.499 -24.271 -16.501 1.00 0.00 H new ATOM 0 HE1 PHE A 30 49.234 -27.678 -13.408 1.00 0.00 H new ATOM 0 HE2 PHE A 30 48.361 -26.397 -17.379 1.00 0.00 H new ATOM 0 HZ PHE A 30 49.226 -28.108 -15.833 1.00 0.00 H new ATOM 448 N GLY A 31 48.311 -22.579 -10.983 1.00 0.00 N ATOM 449 CA GLY A 31 48.716 -22.988 -9.651 1.00 0.00 C ATOM 450 C GLY A 31 47.711 -23.916 -8.998 1.00 0.00 C ATOM 451 O GLY A 31 46.712 -24.292 -9.612 1.00 0.00 O ATOM 0 H GLY A 31 47.514 -21.943 -11.013 1.00 0.00 H new ATOM 0 HA2 GLY A 31 49.684 -23.487 -9.706 1.00 0.00 H new ATOM 0 HA3 GLY A 31 48.848 -22.104 -9.027 1.00 0.00 H new ATOM 455 N PHE A 32 47.975 -24.288 -7.750 1.00 0.00 N ATOM 456 CA PHE A 32 47.088 -25.181 -7.014 1.00 0.00 C ATOM 457 C PHE A 32 47.015 -24.784 -5.543 1.00 0.00 C ATOM 458 O PHE A 32 48.028 -24.451 -4.928 1.00 0.00 O ATOM 459 CB PHE A 32 47.566 -26.629 -7.140 1.00 0.00 C ATOM 460 CG PHE A 32 47.217 -27.263 -8.456 1.00 0.00 C ATOM 461 CD1 PHE A 32 45.934 -27.725 -8.699 1.00 0.00 C ATOM 462 CD2 PHE A 32 48.173 -27.397 -9.450 1.00 0.00 C ATOM 463 CE1 PHE A 32 45.610 -28.309 -9.910 1.00 0.00 C ATOM 464 CE2 PHE A 32 47.855 -27.979 -10.663 1.00 0.00 C ATOM 465 CZ PHE A 32 46.572 -28.437 -10.892 1.00 0.00 C ATOM 0 H PHE A 32 48.796 -23.985 -7.227 1.00 0.00 H new ATOM 0 HA PHE A 32 46.090 -25.097 -7.445 1.00 0.00 H new ATOM 0 HB2 PHE A 32 48.647 -26.659 -7.007 1.00 0.00 H new ATOM 0 HB3 PHE A 32 47.129 -27.219 -6.334 1.00 0.00 H new ATOM 0 HD1 PHE A 32 45.178 -27.628 -7.934 1.00 0.00 H new ATOM 0 HD2 PHE A 32 49.178 -27.043 -9.275 1.00 0.00 H new ATOM 0 HE1 PHE A 32 44.606 -28.664 -10.087 1.00 0.00 H new ATOM 0 HE2 PHE A 32 48.609 -28.075 -11.431 1.00 0.00 H new ATOM 0 HZ PHE A 32 46.322 -28.895 -11.838 1.00 0.00 H new ATOM 475 N ILE A 33 45.809 -24.820 -4.985 1.00 0.00 N ATOM 476 CA ILE A 33 45.604 -24.465 -3.586 1.00 0.00 C ATOM 477 C ILE A 33 44.942 -25.606 -2.821 1.00 0.00 C ATOM 478 O ILE A 33 43.923 -26.146 -3.251 1.00 0.00 O ATOM 479 CB ILE A 33 44.738 -23.199 -3.449 1.00 0.00 C ATOM 480 CG1 ILE A 33 45.390 -22.026 -4.183 1.00 0.00 C ATOM 481 CG2 ILE A 33 44.525 -22.860 -1.981 1.00 0.00 C ATOM 482 CD1 ILE A 33 44.445 -20.873 -4.440 1.00 0.00 C ATOM 0 H ILE A 33 44.960 -25.091 -5.480 1.00 0.00 H new ATOM 0 HA ILE A 33 46.589 -24.270 -3.161 1.00 0.00 H new ATOM 0 HB ILE A 33 43.766 -23.391 -3.903 1.00 0.00 H new ATOM 0 HG12 ILE A 33 46.237 -21.667 -3.598 1.00 0.00 H new ATOM 0 HG13 ILE A 33 45.787 -22.379 -5.135 1.00 0.00 H new ATOM 0 HG21 ILE A 33 43.911 -21.963 -1.900 1.00 0.00 H new ATOM 0 HG22 ILE A 33 44.022 -23.690 -1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 33 45.489 -22.684 -1.505 1.00 0.00 H new ATOM 0 HD11 ILE A 33 44.975 -20.078 -4.964 1.00 0.00 H new ATOM 0 HD12 ILE A 33 43.610 -21.216 -5.051 1.00 0.00 H new ATOM 0 HD13 ILE A 33 44.067 -20.493 -3.491 1.00 0.00 H new ATOM 494 N GLU A 34 45.528 -25.966 -1.683 1.00 0.00 N ATOM 495 CA GLU A 34 44.993 -27.042 -0.857 1.00 0.00 C ATOM 496 C GLU A 34 44.182 -26.483 0.308 1.00 0.00 C ATOM 497 O GLU A 34 44.648 -25.610 1.042 1.00 0.00 O ATOM 498 CB GLU A 34 46.129 -27.920 -0.327 1.00 0.00 C ATOM 499 CG GLU A 34 46.159 -29.311 -0.938 1.00 0.00 C ATOM 500 CD GLU A 34 46.882 -29.349 -2.270 1.00 0.00 C ATOM 501 OE1 GLU A 34 46.467 -28.613 -3.190 1.00 0.00 O ATOM 502 OE2 GLU A 34 47.862 -30.113 -2.393 1.00 0.00 O ATOM 0 H GLU A 34 46.372 -25.529 -1.313 1.00 0.00 H new ATOM 0 HA GLU A 34 44.333 -27.648 -1.478 1.00 0.00 H new ATOM 0 HB2 GLU A 34 47.081 -27.426 -0.523 1.00 0.00 H new ATOM 0 HB3 GLU A 34 46.033 -28.010 0.755 1.00 0.00 H new ATOM 0 HG2 GLU A 34 46.646 -29.997 -0.245 1.00 0.00 H new ATOM 0 HG3 GLU A 34 45.137 -29.666 -1.073 1.00 0.00 H new ATOM 509 N THR A 35 42.965 -26.992 0.473 1.00 0.00 N ATOM 510 CA THR A 35 42.088 -26.543 1.546 1.00 0.00 C ATOM 511 C THR A 35 42.599 -27.008 2.905 1.00 0.00 C ATOM 512 O THR A 35 43.474 -27.869 2.988 1.00 0.00 O ATOM 513 CB THR A 35 40.649 -27.057 1.349 1.00 0.00 C ATOM 514 OG1 THR A 35 40.609 -28.478 1.521 1.00 0.00 O ATOM 515 CG2 THR A 35 40.130 -26.693 -0.034 1.00 0.00 C ATOM 0 H THR A 35 42.565 -27.716 -0.124 1.00 0.00 H new ATOM 0 HA THR A 35 42.084 -25.453 1.515 1.00 0.00 H new ATOM 0 HB THR A 35 40.011 -26.583 2.095 1.00 0.00 H new ATOM 0 HG1 THR A 35 39.691 -28.797 1.396 1.00 0.00 H new ATOM 0 HG21 THR A 35 39.112 -27.066 -0.151 1.00 0.00 H new ATOM 0 HG22 THR A 35 40.135 -25.609 -0.151 1.00 0.00 H new ATOM 0 HG23 THR A 35 40.770 -27.143 -0.793 1.00 0.00 H new ATOM 523 N ALA A 36 42.048 -26.432 3.968 1.00 0.00 N ATOM 524 CA ALA A 36 42.447 -26.791 5.324 1.00 0.00 C ATOM 525 C ALA A 36 42.154 -28.259 5.612 1.00 0.00 C ATOM 526 O ALA A 36 42.839 -28.892 6.414 1.00 0.00 O ATOM 527 CB ALA A 36 41.739 -25.901 6.335 1.00 0.00 C ATOM 0 H ALA A 36 41.324 -25.715 3.917 1.00 0.00 H new ATOM 0 HA ALA A 36 43.523 -26.639 5.412 1.00 0.00 H new ATOM 0 HB1 ALA A 36 42.046 -26.180 7.343 1.00 0.00 H new ATOM 0 HB2 ALA A 36 42.003 -24.860 6.150 1.00 0.00 H new ATOM 0 HB3 ALA A 36 40.661 -26.025 6.237 1.00 0.00 H new ATOM 533 N ASN A 37 41.131 -28.794 4.954 1.00 0.00 N ATOM 534 CA ASN A 37 40.748 -30.189 5.141 1.00 0.00 C ATOM 535 C ASN A 37 41.724 -31.122 4.431 1.00 0.00 C ATOM 536 O ASN A 37 41.863 -32.289 4.799 1.00 0.00 O ATOM 537 CB ASN A 37 39.329 -30.424 4.618 1.00 0.00 C ATOM 538 CG ASN A 37 38.318 -29.487 5.249 1.00 0.00 C ATOM 539 OD1 ASN A 37 37.804 -28.578 4.596 1.00 0.00 O ATOM 540 ND2 ASN A 37 38.027 -29.704 6.527 1.00 0.00 N ATOM 0 H ASN A 37 40.553 -28.283 4.287 1.00 0.00 H new ATOM 0 HA ASN A 37 40.776 -30.407 6.209 1.00 0.00 H new ATOM 0 HB2 ASN A 37 39.317 -30.292 3.536 1.00 0.00 H new ATOM 0 HB3 ASN A 37 39.038 -31.455 4.816 1.00 0.00 H new ATOM 0 HD21 ASN A 37 37.354 -29.106 7.005 1.00 0.00 H new ATOM 0 HD22 ASN A 37 38.477 -30.469 7.030 1.00 0.00 H new ATOM 547 N HIS A 38 42.399 -30.599 3.412 1.00 0.00 N ATOM 548 CA HIS A 38 43.363 -31.385 2.651 1.00 0.00 C ATOM 549 C HIS A 38 42.693 -32.597 2.011 1.00 0.00 C ATOM 550 O HIS A 38 43.266 -33.686 1.970 1.00 0.00 O ATOM 551 CB HIS A 38 44.509 -31.840 3.555 1.00 0.00 C ATOM 552 CG HIS A 38 45.219 -30.710 4.236 1.00 0.00 C ATOM 553 ND1 HIS A 38 45.715 -29.616 3.560 1.00 0.00 N ATOM 554 CD2 HIS A 38 45.513 -30.509 5.542 1.00 0.00 C ATOM 555 CE1 HIS A 38 46.285 -28.791 4.420 1.00 0.00 C ATOM 556 NE2 HIS A 38 46.176 -29.309 5.630 1.00 0.00 N ATOM 0 H HIS A 38 42.296 -29.635 3.095 1.00 0.00 H new ATOM 0 HA HIS A 38 43.764 -30.753 1.858 1.00 0.00 H new ATOM 0 HB2 HIS A 38 44.117 -32.520 4.311 1.00 0.00 H new ATOM 0 HB3 HIS A 38 45.228 -32.404 2.961 1.00 0.00 H new ATOM 0 HD2 HIS A 38 45.271 -31.169 6.362 1.00 0.00 H new ATOM 0 HE1 HIS A 38 46.760 -27.852 4.175 1.00 0.00 H new ATOM 0 HE2 HIS A 38 46.527 -28.887 6.490 1.00 0.00 H new ATOM 564 N ASP A 39 41.477 -32.401 1.514 1.00 0.00 N ATOM 565 CA ASP A 39 40.729 -33.477 0.875 1.00 0.00 C ATOM 566 C ASP A 39 40.537 -33.198 -0.612 1.00 0.00 C ATOM 567 O ASP A 39 40.507 -34.119 -1.429 1.00 0.00 O ATOM 568 CB ASP A 39 39.369 -33.654 1.554 1.00 0.00 C ATOM 569 CG ASP A 39 38.967 -35.111 1.674 1.00 0.00 C ATOM 570 OD1 ASP A 39 38.315 -35.624 0.741 1.00 0.00 O ATOM 571 OD2 ASP A 39 39.304 -35.737 2.700 1.00 0.00 O ATOM 0 H ASP A 39 40.988 -31.506 1.541 1.00 0.00 H new ATOM 0 HA ASP A 39 41.302 -34.398 0.981 1.00 0.00 H new ATOM 0 HB2 ASP A 39 39.401 -33.206 2.547 1.00 0.00 H new ATOM 0 HB3 ASP A 39 38.610 -33.116 0.986 1.00 0.00 H new ATOM 576 N LYS A 40 40.405 -31.922 -0.957 1.00 0.00 N ATOM 577 CA LYS A 40 40.215 -31.520 -2.346 1.00 0.00 C ATOM 578 C LYS A 40 41.220 -30.443 -2.742 1.00 0.00 C ATOM 579 O LYS A 40 41.743 -29.726 -1.890 1.00 0.00 O ATOM 580 CB LYS A 40 38.790 -31.006 -2.559 1.00 0.00 C ATOM 581 CG LYS A 40 38.240 -31.296 -3.945 1.00 0.00 C ATOM 582 CD LYS A 40 37.347 -30.169 -4.438 1.00 0.00 C ATOM 583 CE LYS A 40 35.876 -30.487 -4.218 1.00 0.00 C ATOM 584 NZ LYS A 40 35.289 -31.224 -5.371 1.00 0.00 N ATOM 0 H LYS A 40 40.426 -31.148 -0.293 1.00 0.00 H new ATOM 0 HA LYS A 40 40.377 -32.394 -2.977 1.00 0.00 H new ATOM 0 HB2 LYS A 40 38.134 -31.459 -1.815 1.00 0.00 H new ATOM 0 HB3 LYS A 40 38.771 -29.930 -2.388 1.00 0.00 H new ATOM 0 HG2 LYS A 40 39.065 -31.439 -4.642 1.00 0.00 H new ATOM 0 HG3 LYS A 40 37.674 -32.228 -3.925 1.00 0.00 H new ATOM 0 HD2 LYS A 40 37.603 -29.246 -3.917 1.00 0.00 H new ATOM 0 HD3 LYS A 40 37.529 -29.997 -5.499 1.00 0.00 H new ATOM 0 HE2 LYS A 40 35.765 -31.083 -3.312 1.00 0.00 H new ATOM 0 HE3 LYS A 40 35.324 -29.561 -4.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 34.286 -31.422 -5.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 35.372 -30.645 -6.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 35.799 -32.120 -5.506 1.00 0.00 H new ATOM 598 N GLU A 41 41.484 -30.335 -4.041 1.00 0.00 N ATOM 599 CA GLU A 41 42.426 -29.344 -4.549 1.00 0.00 C ATOM 600 C GLU A 41 41.712 -28.305 -5.407 1.00 0.00 C ATOM 601 O GLU A 41 40.696 -28.598 -6.039 1.00 0.00 O ATOM 602 CB GLU A 41 43.527 -30.026 -5.364 1.00 0.00 C ATOM 603 CG GLU A 41 44.134 -31.236 -4.674 1.00 0.00 C ATOM 604 CD GLU A 41 45.230 -31.887 -5.496 1.00 0.00 C ATOM 605 OE1 GLU A 41 45.061 -32.001 -6.728 1.00 0.00 O ATOM 606 OE2 GLU A 41 46.258 -32.281 -4.906 1.00 0.00 O ATOM 0 H GLU A 41 41.059 -30.921 -4.760 1.00 0.00 H new ATOM 0 HA GLU A 41 42.877 -28.837 -3.696 1.00 0.00 H new ATOM 0 HB2 GLU A 41 43.117 -30.334 -6.326 1.00 0.00 H new ATOM 0 HB3 GLU A 41 44.316 -29.302 -5.571 1.00 0.00 H new ATOM 0 HG2 GLU A 41 44.540 -30.934 -3.709 1.00 0.00 H new ATOM 0 HG3 GLU A 41 43.351 -31.967 -4.475 1.00 0.00 H new ATOM 613 N ILE A 42 42.249 -27.090 -5.425 1.00 0.00 N ATOM 614 CA ILE A 42 41.664 -26.007 -6.205 1.00 0.00 C ATOM 615 C ILE A 42 42.489 -25.723 -7.456 1.00 0.00 C ATOM 616 O ILE A 42 43.711 -25.872 -7.454 1.00 0.00 O ATOM 617 CB ILE A 42 41.548 -24.714 -5.377 1.00 0.00 C ATOM 618 CG1 ILE A 42 40.891 -25.006 -4.026 1.00 0.00 C ATOM 619 CG2 ILE A 42 40.757 -23.664 -6.142 1.00 0.00 C ATOM 620 CD1 ILE A 42 39.465 -25.498 -4.142 1.00 0.00 C ATOM 0 H ILE A 42 43.089 -26.831 -4.908 1.00 0.00 H new ATOM 0 HA ILE A 42 40.665 -26.333 -6.496 1.00 0.00 H new ATOM 0 HB ILE A 42 42.550 -24.324 -5.196 1.00 0.00 H new ATOM 0 HG12 ILE A 42 41.483 -25.753 -3.497 1.00 0.00 H new ATOM 0 HG13 ILE A 42 40.906 -24.100 -3.420 1.00 0.00 H new ATOM 0 HG21 ILE A 42 40.684 -22.756 -5.543 1.00 0.00 H new ATOM 0 HG22 ILE A 42 41.263 -23.440 -7.081 1.00 0.00 H new ATOM 0 HG23 ILE A 42 39.756 -24.043 -6.351 1.00 0.00 H new ATOM 0 HD11 ILE A 42 39.062 -25.685 -3.146 1.00 0.00 H new ATOM 0 HD12 ILE A 42 38.859 -24.743 -4.643 1.00 0.00 H new ATOM 0 HD13 ILE A 42 39.445 -26.421 -4.721 1.00 0.00 H new ATOM 632 N PHE A 43 41.813 -25.312 -8.524 1.00 0.00 N ATOM 633 CA PHE A 43 42.483 -25.006 -9.782 1.00 0.00 C ATOM 634 C PHE A 43 42.148 -23.592 -10.247 1.00 0.00 C ATOM 635 O PHE A 43 41.008 -23.298 -10.606 1.00 0.00 O ATOM 636 CB PHE A 43 42.081 -26.017 -10.858 1.00 0.00 C ATOM 637 CG PHE A 43 42.689 -25.736 -12.202 1.00 0.00 C ATOM 638 CD1 PHE A 43 42.059 -24.888 -13.098 1.00 0.00 C ATOM 639 CD2 PHE A 43 43.891 -26.319 -12.569 1.00 0.00 C ATOM 640 CE1 PHE A 43 42.616 -24.629 -14.336 1.00 0.00 C ATOM 641 CE2 PHE A 43 44.453 -26.063 -13.806 1.00 0.00 C ATOM 642 CZ PHE A 43 43.815 -25.216 -14.690 1.00 0.00 C ATOM 0 H PHE A 43 40.801 -25.183 -8.543 1.00 0.00 H new ATOM 0 HA PHE A 43 43.558 -25.070 -9.616 1.00 0.00 H new ATOM 0 HB2 PHE A 43 42.377 -27.015 -10.536 1.00 0.00 H new ATOM 0 HB3 PHE A 43 40.995 -26.022 -10.953 1.00 0.00 H new ATOM 0 HD1 PHE A 43 41.122 -24.424 -12.826 1.00 0.00 H new ATOM 0 HD2 PHE A 43 44.395 -26.981 -11.881 1.00 0.00 H new ATOM 0 HE1 PHE A 43 42.114 -23.968 -15.027 1.00 0.00 H new ATOM 0 HE2 PHE A 43 45.390 -26.525 -14.080 1.00 0.00 H new ATOM 0 HZ PHE A 43 44.253 -25.013 -15.656 1.00 0.00 H new ATOM 652 N PHE A 44 43.150 -22.719 -10.237 1.00 0.00 N ATOM 653 CA PHE A 44 42.963 -21.335 -10.655 1.00 0.00 C ATOM 654 C PHE A 44 43.954 -20.960 -11.753 1.00 0.00 C ATOM 655 O PHE A 44 45.139 -21.287 -11.674 1.00 0.00 O ATOM 656 CB PHE A 44 43.126 -20.392 -9.461 1.00 0.00 C ATOM 657 CG PHE A 44 44.547 -20.256 -8.994 1.00 0.00 C ATOM 658 CD1 PHE A 44 45.386 -19.306 -9.553 1.00 0.00 C ATOM 659 CD2 PHE A 44 45.043 -21.080 -7.997 1.00 0.00 C ATOM 660 CE1 PHE A 44 46.694 -19.178 -9.125 1.00 0.00 C ATOM 661 CE2 PHE A 44 46.350 -20.957 -7.565 1.00 0.00 C ATOM 662 CZ PHE A 44 47.177 -20.006 -8.130 1.00 0.00 C ATOM 0 H PHE A 44 44.100 -22.946 -9.944 1.00 0.00 H new ATOM 0 HA PHE A 44 41.953 -21.235 -11.052 1.00 0.00 H new ATOM 0 HB2 PHE A 44 42.745 -19.407 -9.731 1.00 0.00 H new ATOM 0 HB3 PHE A 44 42.514 -20.755 -8.635 1.00 0.00 H new ATOM 0 HD1 PHE A 44 45.014 -18.658 -10.332 1.00 0.00 H new ATOM 0 HD2 PHE A 44 44.401 -21.827 -7.553 1.00 0.00 H new ATOM 0 HE1 PHE A 44 47.337 -18.432 -9.568 1.00 0.00 H new ATOM 0 HE2 PHE A 44 46.725 -21.604 -6.786 1.00 0.00 H new ATOM 0 HZ PHE A 44 48.199 -19.910 -7.795 1.00 0.00 H new ATOM 672 N HIS A 45 43.461 -20.271 -12.778 1.00 0.00 N ATOM 673 CA HIS A 45 44.303 -19.851 -13.892 1.00 0.00 C ATOM 674 C HIS A 45 45.001 -18.531 -13.578 1.00 0.00 C ATOM 675 O HIS A 45 44.486 -17.710 -12.819 1.00 0.00 O ATOM 676 CB HIS A 45 43.467 -19.708 -15.164 1.00 0.00 C ATOM 677 CG HIS A 45 43.370 -20.972 -15.962 1.00 0.00 C ATOM 678 ND1 HIS A 45 42.260 -21.307 -16.709 1.00 0.00 N ATOM 679 CD2 HIS A 45 44.253 -21.984 -16.128 1.00 0.00 C ATOM 680 CE1 HIS A 45 42.464 -22.471 -17.299 1.00 0.00 C ATOM 681 NE2 HIS A 45 43.666 -22.903 -16.963 1.00 0.00 N ATOM 0 H HIS A 45 42.483 -19.992 -12.860 1.00 0.00 H new ATOM 0 HA HIS A 45 45.064 -20.616 -14.049 1.00 0.00 H new ATOM 0 HB2 HIS A 45 42.463 -19.380 -14.894 1.00 0.00 H new ATOM 0 HB3 HIS A 45 43.900 -18.926 -15.788 1.00 0.00 H new ATOM 0 HD2 HIS A 45 45.236 -22.056 -15.686 1.00 0.00 H new ATOM 0 HE1 HIS A 45 41.767 -22.982 -17.946 1.00 0.00 H new ATOM 0 HE2 HIS A 45 44.090 -23.777 -17.273 1.00 0.00 H new ATOM 689 N TYR A 46 46.176 -18.335 -14.166 1.00 0.00 N ATOM 690 CA TYR A 46 46.947 -17.117 -13.946 1.00 0.00 C ATOM 691 C TYR A 46 46.130 -15.882 -14.313 1.00 0.00 C ATOM 692 O TYR A 46 46.350 -14.796 -13.775 1.00 0.00 O ATOM 693 CB TYR A 46 48.238 -17.151 -14.766 1.00 0.00 C ATOM 694 CG TYR A 46 49.414 -17.739 -14.019 1.00 0.00 C ATOM 695 CD1 TYR A 46 49.271 -18.888 -13.252 1.00 0.00 C ATOM 696 CD2 TYR A 46 50.669 -17.145 -14.083 1.00 0.00 C ATOM 697 CE1 TYR A 46 50.343 -19.428 -12.568 1.00 0.00 C ATOM 698 CE2 TYR A 46 51.747 -17.679 -13.403 1.00 0.00 C ATOM 699 CZ TYR A 46 51.579 -18.820 -12.647 1.00 0.00 C ATOM 700 OH TYR A 46 52.649 -19.356 -11.968 1.00 0.00 O ATOM 0 H TYR A 46 46.615 -19.004 -14.799 1.00 0.00 H new ATOM 0 HA TYR A 46 47.199 -17.062 -12.887 1.00 0.00 H new ATOM 0 HB2 TYR A 46 48.067 -17.731 -15.673 1.00 0.00 H new ATOM 0 HB3 TYR A 46 48.487 -16.137 -15.078 1.00 0.00 H new ATOM 0 HD1 TYR A 46 48.305 -19.368 -13.189 1.00 0.00 H new ATOM 0 HD2 TYR A 46 50.804 -16.251 -14.674 1.00 0.00 H new ATOM 0 HE1 TYR A 46 50.214 -20.321 -11.975 1.00 0.00 H new ATOM 0 HE2 TYR A 46 52.716 -17.205 -13.463 1.00 0.00 H new ATOM 0 HH TYR A 46 52.613 -20.334 -12.021 1.00 0.00 H new ATOM 710 N SER A 47 45.186 -16.056 -15.231 1.00 0.00 N ATOM 711 CA SER A 47 44.337 -14.956 -15.674 1.00 0.00 C ATOM 712 C SER A 47 43.316 -14.592 -14.600 1.00 0.00 C ATOM 713 O SER A 47 42.944 -13.429 -14.452 1.00 0.00 O ATOM 714 CB SER A 47 43.618 -15.329 -16.971 1.00 0.00 C ATOM 715 OG SER A 47 44.332 -14.862 -18.103 1.00 0.00 O ATOM 0 H SER A 47 44.989 -16.949 -15.683 1.00 0.00 H new ATOM 0 HA SER A 47 44.973 -14.089 -15.856 1.00 0.00 H new ATOM 0 HB2 SER A 47 43.505 -16.412 -17.030 1.00 0.00 H new ATOM 0 HB3 SER A 47 42.614 -14.904 -16.969 1.00 0.00 H new ATOM 0 HG SER A 47 43.852 -15.115 -18.919 1.00 0.00 H new ATOM 721 N GLU A 48 42.869 -15.596 -13.853 1.00 0.00 N ATOM 722 CA GLU A 48 41.891 -15.382 -12.793 1.00 0.00 C ATOM 723 C GLU A 48 42.538 -14.719 -11.581 1.00 0.00 C ATOM 724 O GLU A 48 41.873 -14.031 -10.806 1.00 0.00 O ATOM 725 CB GLU A 48 41.253 -16.711 -12.381 1.00 0.00 C ATOM 726 CG GLU A 48 40.451 -17.371 -13.490 1.00 0.00 C ATOM 727 CD GLU A 48 39.286 -18.186 -12.962 1.00 0.00 C ATOM 728 OE1 GLU A 48 38.194 -17.609 -12.778 1.00 0.00 O ATOM 729 OE2 GLU A 48 39.467 -19.400 -12.732 1.00 0.00 O ATOM 0 H GLU A 48 43.168 -16.565 -13.962 1.00 0.00 H new ATOM 0 HA GLU A 48 41.116 -14.719 -13.178 1.00 0.00 H new ATOM 0 HB2 GLU A 48 42.037 -17.395 -12.055 1.00 0.00 H new ATOM 0 HB3 GLU A 48 40.601 -16.541 -11.524 1.00 0.00 H new ATOM 0 HG2 GLU A 48 40.076 -16.604 -14.168 1.00 0.00 H new ATOM 0 HG3 GLU A 48 41.107 -18.017 -14.073 1.00 0.00 H new ATOM 736 N PHE A 49 43.840 -14.930 -11.423 1.00 0.00 N ATOM 737 CA PHE A 49 44.579 -14.355 -10.305 1.00 0.00 C ATOM 738 C PHE A 49 44.845 -12.870 -10.536 1.00 0.00 C ATOM 739 O PHE A 49 45.176 -12.453 -11.646 1.00 0.00 O ATOM 740 CB PHE A 49 45.902 -15.097 -10.104 1.00 0.00 C ATOM 741 CG PHE A 49 46.561 -14.800 -8.788 1.00 0.00 C ATOM 742 CD1 PHE A 49 47.314 -13.649 -8.619 1.00 0.00 C ATOM 743 CD2 PHE A 49 46.428 -15.672 -7.719 1.00 0.00 C ATOM 744 CE1 PHE A 49 47.923 -13.374 -7.409 1.00 0.00 C ATOM 745 CE2 PHE A 49 47.034 -15.402 -6.506 1.00 0.00 C ATOM 746 CZ PHE A 49 47.782 -14.251 -6.351 1.00 0.00 C ATOM 0 H PHE A 49 44.406 -15.496 -12.056 1.00 0.00 H new ATOM 0 HA PHE A 49 43.971 -14.462 -9.407 1.00 0.00 H new ATOM 0 HB2 PHE A 49 45.723 -16.170 -10.178 1.00 0.00 H new ATOM 0 HB3 PHE A 49 46.585 -14.832 -10.911 1.00 0.00 H new ATOM 0 HD1 PHE A 49 47.426 -12.959 -9.442 1.00 0.00 H new ATOM 0 HD2 PHE A 49 45.844 -16.573 -7.835 1.00 0.00 H new ATOM 0 HE1 PHE A 49 48.509 -12.474 -7.291 1.00 0.00 H new ATOM 0 HE2 PHE A 49 46.923 -16.090 -5.681 1.00 0.00 H new ATOM 0 HZ PHE A 49 48.256 -14.037 -5.404 1.00 0.00 H new ATOM 756 N SER A 50 44.698 -12.077 -9.479 1.00 0.00 N ATOM 757 CA SER A 50 44.918 -10.638 -9.567 1.00 0.00 C ATOM 758 C SER A 50 46.091 -10.214 -8.688 1.00 0.00 C ATOM 759 O SER A 50 45.952 -10.072 -7.473 1.00 0.00 O ATOM 760 CB SER A 50 43.655 -9.882 -9.152 1.00 0.00 C ATOM 761 OG SER A 50 43.675 -8.551 -9.638 1.00 0.00 O ATOM 0 H SER A 50 44.428 -12.407 -8.552 1.00 0.00 H new ATOM 0 HA SER A 50 45.155 -10.393 -10.602 1.00 0.00 H new ATOM 0 HB2 SER A 50 42.775 -10.399 -9.535 1.00 0.00 H new ATOM 0 HB3 SER A 50 43.572 -9.875 -8.065 1.00 0.00 H new ATOM 0 HG SER A 50 42.856 -8.089 -9.361 1.00 0.00 H new ATOM 767 N GLY A 51 47.248 -10.013 -9.311 1.00 0.00 N ATOM 768 CA GLY A 51 48.429 -9.607 -8.572 1.00 0.00 C ATOM 769 C GLY A 51 49.703 -10.192 -9.148 1.00 0.00 C ATOM 770 O GLY A 51 49.811 -10.392 -10.358 1.00 0.00 O ATOM 0 H GLY A 51 47.389 -10.124 -10.315 1.00 0.00 H new ATOM 0 HA2 GLY A 51 48.499 -8.519 -8.574 1.00 0.00 H new ATOM 0 HA3 GLY A 51 48.328 -9.918 -7.532 1.00 0.00 H new ATOM 774 N ASP A 52 50.671 -10.465 -8.280 1.00 0.00 N ATOM 775 CA ASP A 52 51.945 -11.030 -8.710 1.00 0.00 C ATOM 776 C ASP A 52 51.973 -12.539 -8.488 1.00 0.00 C ATOM 777 O ASP A 52 52.608 -13.028 -7.553 1.00 0.00 O ATOM 778 CB ASP A 52 53.100 -10.369 -7.955 1.00 0.00 C ATOM 779 CG ASP A 52 52.934 -8.867 -7.841 1.00 0.00 C ATOM 780 OD1 ASP A 52 53.023 -8.180 -8.880 1.00 0.00 O ATOM 781 OD2 ASP A 52 52.715 -8.377 -6.713 1.00 0.00 O ATOM 0 H ASP A 52 50.598 -10.304 -7.275 1.00 0.00 H new ATOM 0 HA ASP A 52 52.060 -10.836 -9.776 1.00 0.00 H new ATOM 0 HB2 ASP A 52 53.171 -10.800 -6.957 1.00 0.00 H new ATOM 0 HB3 ASP A 52 54.037 -10.590 -8.465 1.00 0.00 H new ATOM 786 N VAL A 53 51.279 -13.272 -9.352 1.00 0.00 N ATOM 787 CA VAL A 53 51.224 -14.725 -9.251 1.00 0.00 C ATOM 788 C VAL A 53 52.613 -15.339 -9.392 1.00 0.00 C ATOM 789 O VAL A 53 52.880 -16.421 -8.869 1.00 0.00 O ATOM 790 CB VAL A 53 50.298 -15.328 -10.324 1.00 0.00 C ATOM 791 CG1 VAL A 53 50.776 -14.950 -11.717 1.00 0.00 C ATOM 792 CG2 VAL A 53 50.218 -16.839 -10.170 1.00 0.00 C ATOM 0 H VAL A 53 50.747 -12.883 -10.130 1.00 0.00 H new ATOM 0 HA VAL A 53 50.825 -14.958 -8.264 1.00 0.00 H new ATOM 0 HB VAL A 53 49.297 -14.918 -10.187 1.00 0.00 H new ATOM 0 HG11 VAL A 53 50.109 -15.385 -12.461 1.00 0.00 H new ATOM 0 HG12 VAL A 53 50.776 -13.865 -11.820 1.00 0.00 H new ATOM 0 HG13 VAL A 53 51.787 -15.328 -11.870 1.00 0.00 H new ATOM 0 HG21 VAL A 53 49.560 -17.248 -10.936 1.00 0.00 H new ATOM 0 HG22 VAL A 53 51.214 -17.269 -10.279 1.00 0.00 H new ATOM 0 HG23 VAL A 53 49.823 -17.084 -9.184 1.00 0.00 H new ATOM 802 N ASP A 54 53.493 -14.641 -10.101 1.00 0.00 N ATOM 803 CA ASP A 54 54.856 -15.116 -10.310 1.00 0.00 C ATOM 804 C ASP A 54 55.677 -14.991 -9.030 1.00 0.00 C ATOM 805 O ASP A 54 56.522 -15.837 -8.738 1.00 0.00 O ATOM 806 CB ASP A 54 55.525 -14.331 -11.438 1.00 0.00 C ATOM 807 CG ASP A 54 56.090 -15.234 -12.517 1.00 0.00 C ATOM 808 OD1 ASP A 54 56.729 -16.249 -12.167 1.00 0.00 O ATOM 809 OD2 ASP A 54 55.892 -14.927 -13.711 1.00 0.00 O ATOM 0 H ASP A 54 53.287 -13.744 -10.541 1.00 0.00 H new ATOM 0 HA ASP A 54 54.809 -16.169 -10.589 1.00 0.00 H new ATOM 0 HB2 ASP A 54 54.800 -13.649 -11.882 1.00 0.00 H new ATOM 0 HB3 ASP A 54 56.326 -13.719 -11.025 1.00 0.00 H new ATOM 814 N SER A 55 55.423 -13.930 -8.271 1.00 0.00 N ATOM 815 CA SER A 55 56.141 -13.691 -7.025 1.00 0.00 C ATOM 816 C SER A 55 55.758 -14.725 -5.970 1.00 0.00 C ATOM 817 O SER A 55 56.540 -15.030 -5.069 1.00 0.00 O ATOM 818 CB SER A 55 55.850 -12.283 -6.505 1.00 0.00 C ATOM 819 OG SER A 55 56.860 -11.372 -6.904 1.00 0.00 O ATOM 0 H SER A 55 54.725 -13.222 -8.498 1.00 0.00 H new ATOM 0 HA SER A 55 57.208 -13.782 -7.227 1.00 0.00 H new ATOM 0 HB2 SER A 55 54.884 -11.946 -6.880 1.00 0.00 H new ATOM 0 HB3 SER A 55 55.781 -12.301 -5.417 1.00 0.00 H new ATOM 0 HG SER A 55 56.649 -10.479 -6.560 1.00 0.00 H new ATOM 825 N LEU A 56 54.548 -15.260 -6.088 1.00 0.00 N ATOM 826 CA LEU A 56 54.058 -16.260 -5.146 1.00 0.00 C ATOM 827 C LEU A 56 54.996 -17.462 -5.091 1.00 0.00 C ATOM 828 O LEU A 56 55.785 -17.688 -6.008 1.00 0.00 O ATOM 829 CB LEU A 56 52.651 -16.714 -5.539 1.00 0.00 C ATOM 830 CG LEU A 56 51.496 -16.019 -4.818 1.00 0.00 C ATOM 831 CD1 LEU A 56 50.178 -16.304 -5.522 1.00 0.00 C ATOM 832 CD2 LEU A 56 51.432 -16.461 -3.363 1.00 0.00 C ATOM 0 H LEU A 56 53.888 -15.018 -6.827 1.00 0.00 H new ATOM 0 HA LEU A 56 54.023 -15.804 -4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 56 52.528 -16.562 -6.611 1.00 0.00 H new ATOM 0 HB3 LEU A 56 52.573 -17.786 -5.358 1.00 0.00 H new ATOM 0 HG LEU A 56 51.672 -14.944 -4.843 1.00 0.00 H new ATOM 0 HD11 LEU A 56 49.368 -15.801 -4.994 1.00 0.00 H new ATOM 0 HD12 LEU A 56 50.226 -15.937 -6.547 1.00 0.00 H new ATOM 0 HD13 LEU A 56 49.994 -17.378 -5.529 1.00 0.00 H new ATOM 0 HD21 LEU A 56 50.604 -15.956 -2.865 1.00 0.00 H new ATOM 0 HD22 LEU A 56 51.280 -17.539 -3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 56 52.366 -16.204 -2.863 1.00 0.00 H new ATOM 844 N GLU A 57 54.901 -18.231 -4.011 1.00 0.00 N ATOM 845 CA GLU A 57 55.741 -19.411 -3.838 1.00 0.00 C ATOM 846 C GLU A 57 55.023 -20.473 -3.011 1.00 0.00 C ATOM 847 O GLU A 57 53.888 -20.275 -2.575 1.00 0.00 O ATOM 848 CB GLU A 57 57.061 -19.031 -3.164 1.00 0.00 C ATOM 849 CG GLU A 57 56.884 -18.374 -1.805 1.00 0.00 C ATOM 850 CD GLU A 57 58.206 -18.048 -1.139 1.00 0.00 C ATOM 851 OE1 GLU A 57 59.254 -18.500 -1.647 1.00 0.00 O ATOM 852 OE2 GLU A 57 58.194 -17.341 -0.109 1.00 0.00 O ATOM 0 H GLU A 57 54.252 -18.059 -3.243 1.00 0.00 H new ATOM 0 HA GLU A 57 55.951 -19.823 -4.825 1.00 0.00 H new ATOM 0 HB2 GLU A 57 57.671 -19.927 -3.048 1.00 0.00 H new ATOM 0 HB3 GLU A 57 57.611 -18.353 -3.817 1.00 0.00 H new ATOM 0 HG2 GLU A 57 56.304 -17.458 -1.921 1.00 0.00 H new ATOM 0 HG3 GLU A 57 56.309 -19.036 -1.158 1.00 0.00 H new ATOM 859 N LEU A 58 55.692 -21.601 -2.798 1.00 0.00 N ATOM 860 CA LEU A 58 55.118 -22.696 -2.023 1.00 0.00 C ATOM 861 C LEU A 58 55.161 -22.388 -0.530 1.00 0.00 C ATOM 862 O LEU A 58 56.233 -22.208 0.046 1.00 0.00 O ATOM 863 CB LEU A 58 55.870 -23.997 -2.309 1.00 0.00 C ATOM 864 CG LEU A 58 56.131 -24.312 -3.782 1.00 0.00 C ATOM 865 CD1 LEU A 58 56.989 -25.561 -3.918 1.00 0.00 C ATOM 866 CD2 LEU A 58 54.818 -24.481 -4.532 1.00 0.00 C ATOM 0 H LEU A 58 56.632 -21.781 -3.151 1.00 0.00 H new ATOM 0 HA LEU A 58 54.076 -22.812 -2.321 1.00 0.00 H new ATOM 0 HB2 LEU A 58 56.828 -23.961 -1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 58 55.305 -24.822 -1.876 1.00 0.00 H new ATOM 0 HG LEU A 58 56.673 -23.475 -4.222 1.00 0.00 H new ATOM 0 HD11 LEU A 58 57.164 -25.769 -4.974 1.00 0.00 H new ATOM 0 HD12 LEU A 58 57.944 -25.403 -3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 58 56.475 -26.407 -3.462 1.00 0.00 H new ATOM 0 HD21 LEU A 58 55.023 -24.705 -5.579 1.00 0.00 H new ATOM 0 HD22 LEU A 58 54.250 -25.300 -4.091 1.00 0.00 H new ATOM 0 HD23 LEU A 58 54.239 -23.560 -4.465 1.00 0.00 H new ATOM 878 N GLY A 59 53.987 -22.331 0.091 1.00 0.00 N ATOM 879 CA GLY A 59 53.913 -22.046 1.512 1.00 0.00 C ATOM 880 C GLY A 59 53.354 -20.667 1.799 1.00 0.00 C ATOM 881 O GLY A 59 53.495 -20.151 2.908 1.00 0.00 O ATOM 0 H GLY A 59 53.086 -22.477 -0.364 1.00 0.00 H new ATOM 0 HA2 GLY A 59 53.289 -22.796 1.998 1.00 0.00 H new ATOM 0 HA3 GLY A 59 54.908 -22.129 1.948 1.00 0.00 H new ATOM 885 N ASP A 60 52.719 -20.068 0.798 1.00 0.00 N ATOM 886 CA ASP A 60 52.138 -18.739 0.948 1.00 0.00 C ATOM 887 C ASP A 60 50.617 -18.819 1.047 1.00 0.00 C ATOM 888 O ASP A 60 49.998 -19.736 0.507 1.00 0.00 O ATOM 889 CB ASP A 60 52.538 -17.848 -0.229 1.00 0.00 C ATOM 890 CG ASP A 60 53.983 -17.397 -0.148 1.00 0.00 C ATOM 891 OD1 ASP A 60 54.700 -17.865 0.760 1.00 0.00 O ATOM 892 OD2 ASP A 60 54.397 -16.576 -0.994 1.00 0.00 O ATOM 0 H ASP A 60 52.593 -20.481 -0.126 1.00 0.00 H new ATOM 0 HA ASP A 60 52.522 -18.304 1.870 1.00 0.00 H new ATOM 0 HB2 ASP A 60 52.381 -18.390 -1.161 1.00 0.00 H new ATOM 0 HB3 ASP A 60 51.888 -16.973 -0.256 1.00 0.00 H new ATOM 897 N MET A 61 50.023 -17.854 1.740 1.00 0.00 N ATOM 898 CA MET A 61 48.575 -17.816 1.910 1.00 0.00 C ATOM 899 C MET A 61 47.917 -17.019 0.788 1.00 0.00 C ATOM 900 O MET A 61 48.518 -16.099 0.231 1.00 0.00 O ATOM 901 CB MET A 61 48.215 -17.204 3.265 1.00 0.00 C ATOM 902 CG MET A 61 48.293 -18.191 4.418 1.00 0.00 C ATOM 903 SD MET A 61 48.963 -17.452 5.920 1.00 0.00 S ATOM 904 CE MET A 61 50.685 -17.929 5.794 1.00 0.00 C ATOM 0 H MET A 61 50.521 -17.088 2.193 1.00 0.00 H new ATOM 0 HA MET A 61 48.203 -18.840 1.872 1.00 0.00 H new ATOM 0 HB2 MET A 61 48.886 -16.369 3.467 1.00 0.00 H new ATOM 0 HB3 MET A 61 47.205 -16.797 3.214 1.00 0.00 H new ATOM 0 HG2 MET A 61 47.297 -18.583 4.624 1.00 0.00 H new ATOM 0 HG3 MET A 61 48.915 -19.037 4.125 1.00 0.00 H new ATOM 0 HE1 MET A 61 51.233 -17.544 6.654 1.00 0.00 H new ATOM 0 HE2 MET A 61 50.761 -19.016 5.772 1.00 0.00 H new ATOM 0 HE3 MET A 61 51.111 -17.517 4.879 1.00 0.00 H new ATOM 914 N VAL A 62 46.680 -17.378 0.460 1.00 0.00 N ATOM 915 CA VAL A 62 45.941 -16.695 -0.596 1.00 0.00 C ATOM 916 C VAL A 62 44.440 -16.732 -0.327 1.00 0.00 C ATOM 917 O VAL A 62 43.943 -17.631 0.349 1.00 0.00 O ATOM 918 CB VAL A 62 46.219 -17.325 -1.973 1.00 0.00 C ATOM 919 CG1 VAL A 62 47.648 -17.039 -2.412 1.00 0.00 C ATOM 920 CG2 VAL A 62 45.953 -18.822 -1.938 1.00 0.00 C ATOM 0 H VAL A 62 46.169 -18.137 0.910 1.00 0.00 H new ATOM 0 HA VAL A 62 46.282 -15.660 -0.603 1.00 0.00 H new ATOM 0 HB VAL A 62 45.543 -16.877 -2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 62 47.827 -17.492 -3.387 1.00 0.00 H new ATOM 0 HG12 VAL A 62 47.799 -15.962 -2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 62 48.343 -17.458 -1.685 1.00 0.00 H new ATOM 0 HG21 VAL A 62 46.155 -19.250 -2.920 1.00 0.00 H new ATOM 0 HG22 VAL A 62 46.602 -19.290 -1.198 1.00 0.00 H new ATOM 0 HG23 VAL A 62 44.911 -19.000 -1.671 1.00 0.00 H new ATOM 930 N GLU A 63 43.725 -15.747 -0.862 1.00 0.00 N ATOM 931 CA GLU A 63 42.280 -15.667 -0.679 1.00 0.00 C ATOM 932 C GLU A 63 41.550 -15.954 -1.987 1.00 0.00 C ATOM 933 O GLU A 63 41.958 -15.493 -3.053 1.00 0.00 O ATOM 934 CB GLU A 63 41.887 -14.284 -0.155 1.00 0.00 C ATOM 935 CG GLU A 63 40.449 -14.204 0.331 1.00 0.00 C ATOM 936 CD GLU A 63 39.546 -13.467 -0.639 1.00 0.00 C ATOM 937 OE1 GLU A 63 39.910 -12.348 -1.056 1.00 0.00 O ATOM 938 OE2 GLU A 63 38.475 -14.010 -0.981 1.00 0.00 O ATOM 0 H GLU A 63 44.122 -14.994 -1.425 1.00 0.00 H new ATOM 0 HA GLU A 63 41.989 -16.421 0.052 1.00 0.00 H new ATOM 0 HB2 GLU A 63 42.554 -14.011 0.663 1.00 0.00 H new ATOM 0 HB3 GLU A 63 42.036 -13.549 -0.946 1.00 0.00 H new ATOM 0 HG2 GLU A 63 40.065 -15.212 0.485 1.00 0.00 H new ATOM 0 HG3 GLU A 63 40.424 -13.702 1.298 1.00 0.00 H new ATOM 945 N TYR A 64 40.467 -16.718 -1.898 1.00 0.00 N ATOM 946 CA TYR A 64 39.680 -17.070 -3.074 1.00 0.00 C ATOM 947 C TYR A 64 38.223 -17.323 -2.699 1.00 0.00 C ATOM 948 O TYR A 64 37.860 -17.298 -1.523 1.00 0.00 O ATOM 949 CB TYR A 64 40.266 -18.309 -3.754 1.00 0.00 C ATOM 950 CG TYR A 64 40.173 -19.562 -2.913 1.00 0.00 C ATOM 951 CD1 TYR A 64 41.129 -19.845 -1.945 1.00 0.00 C ATOM 952 CD2 TYR A 64 39.129 -20.462 -3.085 1.00 0.00 C ATOM 953 CE1 TYR A 64 41.048 -20.989 -1.175 1.00 0.00 C ATOM 954 CE2 TYR A 64 39.040 -21.608 -2.318 1.00 0.00 C ATOM 955 CZ TYR A 64 40.002 -21.867 -1.365 1.00 0.00 C ATOM 956 OH TYR A 64 39.917 -23.007 -0.599 1.00 0.00 O ATOM 0 H TYR A 64 40.114 -17.106 -1.023 1.00 0.00 H new ATOM 0 HA TYR A 64 39.717 -16.231 -3.769 1.00 0.00 H new ATOM 0 HB2 TYR A 64 39.746 -18.475 -4.698 1.00 0.00 H new ATOM 0 HB3 TYR A 64 41.312 -18.120 -3.995 1.00 0.00 H new ATOM 0 HD1 TYR A 64 41.949 -19.159 -1.792 1.00 0.00 H new ATOM 0 HD2 TYR A 64 38.374 -20.263 -3.831 1.00 0.00 H new ATOM 0 HE1 TYR A 64 41.800 -21.195 -0.428 1.00 0.00 H new ATOM 0 HE2 TYR A 64 38.221 -22.297 -2.464 1.00 0.00 H new ATOM 0 HH TYR A 64 39.121 -23.516 -0.858 1.00 0.00 H new ATOM 966 N SER A 65 37.393 -17.567 -3.708 1.00 0.00 N ATOM 967 CA SER A 65 35.975 -17.822 -3.487 1.00 0.00 C ATOM 968 C SER A 65 35.466 -18.914 -4.423 1.00 0.00 C ATOM 969 O SER A 65 36.137 -19.283 -5.387 1.00 0.00 O ATOM 970 CB SER A 65 35.166 -16.539 -3.694 1.00 0.00 C ATOM 971 OG SER A 65 35.904 -15.400 -3.286 1.00 0.00 O ATOM 0 H SER A 65 37.679 -17.593 -4.687 1.00 0.00 H new ATOM 0 HA SER A 65 35.849 -18.161 -2.459 1.00 0.00 H new ATOM 0 HB2 SER A 65 34.894 -16.443 -4.745 1.00 0.00 H new ATOM 0 HB3 SER A 65 34.236 -16.596 -3.128 1.00 0.00 H new ATOM 0 HG SER A 65 35.366 -14.593 -3.430 1.00 0.00 H new ATOM 977 N LEU A 66 34.276 -19.426 -4.132 1.00 0.00 N ATOM 978 CA LEU A 66 33.675 -20.477 -4.947 1.00 0.00 C ATOM 979 C LEU A 66 32.370 -19.999 -5.576 1.00 0.00 C ATOM 980 O LEU A 66 31.702 -19.111 -5.045 1.00 0.00 O ATOM 981 CB LEU A 66 33.419 -21.724 -4.098 1.00 0.00 C ATOM 982 CG LEU A 66 34.646 -22.345 -3.430 1.00 0.00 C ATOM 983 CD1 LEU A 66 34.249 -23.566 -2.615 1.00 0.00 C ATOM 984 CD2 LEU A 66 35.691 -22.714 -4.473 1.00 0.00 C ATOM 0 H LEU A 66 33.708 -19.131 -3.338 1.00 0.00 H new ATOM 0 HA LEU A 66 34.372 -20.726 -5.747 1.00 0.00 H new ATOM 0 HB2 LEU A 66 32.698 -21.469 -3.322 1.00 0.00 H new ATOM 0 HB3 LEU A 66 32.953 -22.480 -4.730 1.00 0.00 H new ATOM 0 HG LEU A 66 35.080 -21.608 -2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 66 35.135 -23.995 -2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 66 33.537 -23.273 -1.844 1.00 0.00 H new ATOM 0 HD13 LEU A 66 33.790 -24.307 -3.270 1.00 0.00 H new ATOM 0 HD21 LEU A 66 36.557 -23.155 -3.980 1.00 0.00 H new ATOM 0 HD22 LEU A 66 35.267 -23.433 -5.174 1.00 0.00 H new ATOM 0 HD23 LEU A 66 35.998 -21.818 -5.013 1.00 0.00 H new ATOM 1117 N SER A 75 36.538 -24.819 -8.949 1.00 0.00 N ATOM 1118 CA SER A 75 37.705 -23.984 -9.208 1.00 0.00 C ATOM 1119 C SER A 75 37.631 -22.685 -8.411 1.00 0.00 C ATOM 1120 O SER A 75 36.624 -22.397 -7.765 1.00 0.00 O ATOM 1121 CB SER A 75 37.816 -23.674 -10.702 1.00 0.00 C ATOM 1122 OG SER A 75 36.546 -23.377 -11.257 1.00 0.00 O ATOM 0 HA SER A 75 38.592 -24.534 -8.892 1.00 0.00 H new ATOM 0 HB2 SER A 75 38.489 -22.830 -10.852 1.00 0.00 H new ATOM 0 HB3 SER A 75 38.253 -24.526 -11.222 1.00 0.00 H new ATOM 0 HG SER A 75 35.851 -23.852 -10.755 1.00 0.00 H new ATOM 1128 N ALA A 76 38.705 -21.904 -8.464 1.00 0.00 N ATOM 1129 CA ALA A 76 38.762 -20.635 -7.750 1.00 0.00 C ATOM 1130 C ALA A 76 38.658 -19.457 -8.713 1.00 0.00 C ATOM 1131 O ALA A 76 39.021 -19.568 -9.884 1.00 0.00 O ATOM 1132 CB ALA A 76 40.046 -20.543 -6.938 1.00 0.00 C ATOM 0 H ALA A 76 39.547 -22.128 -8.994 1.00 0.00 H new ATOM 0 HA ALA A 76 37.911 -20.591 -7.070 1.00 0.00 H new ATOM 0 HB1 ALA A 76 40.075 -19.590 -6.410 1.00 0.00 H new ATOM 0 HB2 ALA A 76 40.079 -21.359 -6.216 1.00 0.00 H new ATOM 0 HB3 ALA A 76 40.905 -20.614 -7.606 1.00 0.00 H new ATOM 1138 N GLU A 77 38.158 -18.331 -8.213 1.00 0.00 N ATOM 1139 CA GLU A 77 38.005 -17.134 -9.032 1.00 0.00 C ATOM 1140 C GLU A 77 38.393 -15.885 -8.246 1.00 0.00 C ATOM 1141 O GLU A 77 38.085 -15.762 -7.061 1.00 0.00 O ATOM 1142 CB GLU A 77 36.564 -17.010 -9.529 1.00 0.00 C ATOM 1143 CG GLU A 77 35.548 -16.832 -8.413 1.00 0.00 C ATOM 1144 CD GLU A 77 34.159 -17.296 -8.808 1.00 0.00 C ATOM 1145 OE1 GLU A 77 33.541 -16.645 -9.677 1.00 0.00 O ATOM 1146 OE2 GLU A 77 33.691 -18.309 -8.249 1.00 0.00 O ATOM 0 H GLU A 77 37.852 -18.223 -7.246 1.00 0.00 H new ATOM 0 HA GLU A 77 38.671 -17.224 -9.890 1.00 0.00 H new ATOM 0 HB2 GLU A 77 36.495 -16.162 -10.210 1.00 0.00 H new ATOM 0 HB3 GLU A 77 36.309 -17.901 -10.103 1.00 0.00 H new ATOM 0 HG2 GLU A 77 35.877 -17.389 -7.535 1.00 0.00 H new ATOM 0 HG3 GLU A 77 35.508 -15.781 -8.127 1.00 0.00 H new ATOM 1153 N LYS A 78 39.072 -14.960 -8.916 1.00 0.00 N ATOM 1154 CA LYS A 78 39.503 -13.718 -8.283 1.00 0.00 C ATOM 1155 C LYS A 78 40.450 -14.000 -7.121 1.00 0.00 C ATOM 1156 O LYS A 78 40.258 -13.494 -6.015 1.00 0.00 O ATOM 1157 CB LYS A 78 38.291 -12.927 -7.788 1.00 0.00 C ATOM 1158 CG LYS A 78 37.220 -12.727 -8.847 1.00 0.00 C ATOM 1159 CD LYS A 78 36.431 -11.451 -8.607 1.00 0.00 C ATOM 1160 CE LYS A 78 37.177 -10.229 -9.120 1.00 0.00 C ATOM 1161 NZ LYS A 78 36.352 -8.993 -9.022 1.00 0.00 N ATOM 0 H LYS A 78 39.336 -15.047 -9.897 1.00 0.00 H new ATOM 0 HA LYS A 78 40.036 -13.126 -9.027 1.00 0.00 H new ATOM 0 HB2 LYS A 78 37.854 -13.445 -6.935 1.00 0.00 H new ATOM 0 HB3 LYS A 78 38.625 -11.952 -7.432 1.00 0.00 H new ATOM 0 HG2 LYS A 78 37.684 -12.689 -9.833 1.00 0.00 H new ATOM 0 HG3 LYS A 78 36.542 -13.581 -8.846 1.00 0.00 H new ATOM 0 HD2 LYS A 78 35.463 -11.522 -9.103 1.00 0.00 H new ATOM 0 HD3 LYS A 78 36.236 -11.338 -7.541 1.00 0.00 H new ATOM 0 HE2 LYS A 78 38.096 -10.098 -8.549 1.00 0.00 H new ATOM 0 HE3 LYS A 78 37.467 -10.390 -10.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 36.896 -8.183 -9.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 35.487 -9.107 -9.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 36.096 -8.824 -8.028 1.00 0.00 H new ATOM 1175 N VAL A 79 41.472 -14.810 -7.379 1.00 0.00 N ATOM 1176 CA VAL A 79 42.450 -15.156 -6.355 1.00 0.00 C ATOM 1177 C VAL A 79 43.466 -14.036 -6.163 1.00 0.00 C ATOM 1178 O VAL A 79 44.043 -13.536 -7.128 1.00 0.00 O ATOM 1179 CB VAL A 79 43.197 -16.456 -6.709 1.00 0.00 C ATOM 1180 CG1 VAL A 79 44.093 -16.888 -5.558 1.00 0.00 C ATOM 1181 CG2 VAL A 79 42.209 -17.556 -7.068 1.00 0.00 C ATOM 0 H VAL A 79 41.644 -15.239 -8.288 1.00 0.00 H new ATOM 0 HA VAL A 79 41.897 -15.304 -5.427 1.00 0.00 H new ATOM 0 HB VAL A 79 43.828 -16.267 -7.577 1.00 0.00 H new ATOM 0 HG11 VAL A 79 44.612 -17.808 -5.827 1.00 0.00 H new ATOM 0 HG12 VAL A 79 44.824 -16.106 -5.352 1.00 0.00 H new ATOM 0 HG13 VAL A 79 43.486 -17.060 -4.669 1.00 0.00 H new ATOM 0 HG21 VAL A 79 42.753 -18.467 -7.315 1.00 0.00 H new ATOM 0 HG22 VAL A 79 41.551 -17.745 -6.220 1.00 0.00 H new ATOM 0 HG23 VAL A 79 41.614 -17.245 -7.926 1.00 0.00 H new ATOM 1191 N ASN A 80 43.679 -13.646 -4.910 1.00 0.00 N ATOM 1192 CA ASN A 80 44.626 -12.584 -4.591 1.00 0.00 C ATOM 1193 C ASN A 80 45.382 -12.897 -3.304 1.00 0.00 C ATOM 1194 O ASN A 80 44.817 -13.441 -2.355 1.00 0.00 O ATOM 1195 CB ASN A 80 43.896 -11.246 -4.454 1.00 0.00 C ATOM 1196 CG ASN A 80 42.687 -11.338 -3.544 1.00 0.00 C ATOM 1197 OD1 ASN A 80 41.653 -11.888 -3.920 1.00 0.00 O ATOM 1198 ND2 ASN A 80 42.813 -10.796 -2.338 1.00 0.00 N ATOM 0 H ASN A 80 43.209 -14.049 -4.100 1.00 0.00 H new ATOM 0 HA ASN A 80 45.346 -12.516 -5.407 1.00 0.00 H new ATOM 0 HB2 ASN A 80 44.585 -10.497 -4.063 1.00 0.00 H new ATOM 0 HB3 ASN A 80 43.580 -10.905 -5.440 1.00 0.00 H new ATOM 0 HD21 ASN A 80 42.033 -10.826 -1.681 1.00 0.00 H new ATOM 0 HD22 ASN A 80 43.690 -10.350 -2.068 1.00 0.00 H new ATOM 1205 N LYS A 81 46.665 -12.551 -3.278 1.00 0.00 N ATOM 1206 CA LYS A 81 47.500 -12.792 -2.107 1.00 0.00 C ATOM 1207 C LYS A 81 46.926 -12.098 -0.877 1.00 0.00 C ATOM 1208 O LYS A 81 46.219 -11.095 -0.989 1.00 0.00 O ATOM 1209 CB LYS A 81 48.927 -12.303 -2.363 1.00 0.00 C ATOM 1210 CG LYS A 81 49.933 -13.427 -2.541 1.00 0.00 C ATOM 1211 CD LYS A 81 51.347 -12.892 -2.686 1.00 0.00 C ATOM 1212 CE LYS A 81 51.970 -12.587 -1.332 1.00 0.00 C ATOM 1213 NZ LYS A 81 53.267 -13.294 -1.146 1.00 0.00 N ATOM 0 H LYS A 81 47.149 -12.102 -4.055 1.00 0.00 H new ATOM 0 HA LYS A 81 47.519 -13.866 -1.920 1.00 0.00 H new ATOM 0 HB2 LYS A 81 48.933 -11.677 -3.255 1.00 0.00 H new ATOM 0 HB3 LYS A 81 49.241 -11.674 -1.530 1.00 0.00 H new ATOM 0 HG2 LYS A 81 49.884 -14.100 -1.685 1.00 0.00 H new ATOM 0 HG3 LYS A 81 49.673 -14.013 -3.422 1.00 0.00 H new ATOM 0 HD2 LYS A 81 51.961 -13.622 -3.214 1.00 0.00 H new ATOM 0 HD3 LYS A 81 51.334 -11.987 -3.294 1.00 0.00 H new ATOM 0 HE2 LYS A 81 52.126 -11.512 -1.238 1.00 0.00 H new ATOM 0 HE3 LYS A 81 51.280 -12.880 -0.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 53.659 -13.060 -0.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 53.115 -14.321 -1.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 53.934 -12.996 -1.886 1.00 0.00 H new ATOM 1227 N THR A 82 47.235 -12.635 0.299 1.00 0.00 N ATOM 1228 CA THR A 82 46.750 -12.067 1.551 1.00 0.00 C ATOM 1229 C THR A 82 47.708 -12.368 2.698 1.00 0.00 C ATOM 1230 O THR A 82 47.281 -12.675 3.811 1.00 0.00 O ATOM 1231 CB THR A 82 45.352 -12.606 1.909 1.00 0.00 C ATOM 1232 OG1 THR A 82 44.865 -11.958 3.088 1.00 0.00 O ATOM 1233 CG2 THR A 82 45.393 -14.111 2.130 1.00 0.00 C ATOM 0 H THR A 82 47.820 -13.463 0.411 1.00 0.00 H new ATOM 0 HA THR A 82 46.688 -10.988 1.406 1.00 0.00 H new ATOM 0 HB THR A 82 44.681 -12.396 1.076 1.00 0.00 H new ATOM 0 HG1 THR A 82 45.502 -12.090 3.821 1.00 0.00 H new ATOM 0 HG21 THR A 82 44.395 -14.469 2.382 1.00 0.00 H new ATOM 0 HG22 THR A 82 45.736 -14.603 1.220 1.00 0.00 H new ATOM 0 HG23 THR A 82 46.077 -14.340 2.947 1.00 0.00 H new