USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=12 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 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 38 HIS : no HE2:sc= -0.186 X(o=-0.19,f=-0.51) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.0644 X(o=-0.064,f=-0.15) USER MOD Single : A 46 TYR OH : rot 67:sc= 1.25 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 USER MOD Single : A 75 SER OG : rot -10:sc= 0.768 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.1 X(o=-0.1,f=-0.17) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 231 N ARG A 18 34.447 -15.818 1.944 1.00 0.00 N ATOM 232 CA ARG A 18 35.878 -15.831 1.662 1.00 0.00 C ATOM 233 C ARG A 18 36.539 -17.066 2.267 1.00 0.00 C ATOM 234 O ARG A 18 36.263 -17.435 3.409 1.00 0.00 O ATOM 235 CB ARG A 18 36.539 -14.565 2.210 1.00 0.00 C ATOM 236 CG ARG A 18 36.445 -14.434 3.721 1.00 0.00 C ATOM 237 CD ARG A 18 37.760 -14.795 4.395 1.00 0.00 C ATOM 238 NE ARG A 18 37.661 -14.745 5.851 1.00 0.00 N ATOM 239 CZ ARG A 18 38.504 -15.368 6.666 1.00 0.00 C ATOM 240 NH1 ARG A 18 39.503 -16.085 6.171 1.00 0.00 N ATOM 241 NH2 ARG A 18 38.349 -15.275 7.981 1.00 0.00 N ATOM 0 HA ARG A 18 36.010 -15.862 0.580 1.00 0.00 H new ATOM 0 HB2 ARG A 18 37.589 -14.558 1.918 1.00 0.00 H new ATOM 0 HB3 ARG A 18 36.074 -13.694 1.749 1.00 0.00 H new ATOM 0 HG2 ARG A 18 36.170 -13.412 3.982 1.00 0.00 H new ATOM 0 HG3 ARG A 18 35.653 -15.083 4.095 1.00 0.00 H new ATOM 0 HD2 ARG A 18 38.063 -15.796 4.087 1.00 0.00 H new ATOM 0 HD3 ARG A 18 38.539 -14.109 4.061 1.00 0.00 H new ATOM 0 HE ARG A 18 36.903 -14.202 6.264 1.00 0.00 H new ATOM 0 HH11 ARG A 18 39.626 -16.159 5.161 1.00 0.00 H new ATOM 0 HH12 ARG A 18 40.149 -16.562 6.800 1.00 0.00 H new ATOM 0 HH21 ARG A 18 37.582 -14.725 8.366 1.00 0.00 H new ATOM 0 HH22 ARG A 18 38.997 -15.754 8.606 1.00 0.00 H new ATOM 255 N LEU A 19 37.414 -17.700 1.495 1.00 0.00 N ATOM 256 CA LEU A 19 38.116 -18.894 1.953 1.00 0.00 C ATOM 257 C LEU A 19 39.627 -18.704 1.870 1.00 0.00 C ATOM 258 O LEU A 19 40.121 -17.923 1.056 1.00 0.00 O ATOM 259 CB LEU A 19 37.696 -20.108 1.121 1.00 0.00 C ATOM 260 CG LEU A 19 36.206 -20.449 1.136 1.00 0.00 C ATOM 261 CD1 LEU A 19 35.781 -21.042 -0.198 1.00 0.00 C ATOM 262 CD2 LEU A 19 35.890 -21.410 2.273 1.00 0.00 C ATOM 0 H LEU A 19 37.655 -17.407 0.548 1.00 0.00 H new ATOM 0 HA LEU A 19 37.847 -19.065 2.995 1.00 0.00 H new ATOM 0 HB2 LEU A 19 37.999 -19.938 0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 19 38.251 -20.976 1.477 1.00 0.00 H new ATOM 0 HG LEU A 19 35.644 -19.529 1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.717 -21.279 -0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.971 -20.321 -0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 19 36.350 -21.952 -0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.825 -21.642 2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 19 36.462 -22.329 2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 19 36.157 -20.949 3.224 1.00 0.00 H new ATOM 274 N LEU A 20 40.356 -19.424 2.715 1.00 0.00 N ATOM 275 CA LEU A 20 41.812 -19.337 2.737 1.00 0.00 C ATOM 276 C LEU A 20 42.443 -20.699 2.471 1.00 0.00 C ATOM 277 O LEU A 20 41.824 -21.737 2.702 1.00 0.00 O ATOM 278 CB LEU A 20 42.290 -18.794 4.084 1.00 0.00 C ATOM 279 CG LEU A 20 42.189 -17.280 4.272 1.00 0.00 C ATOM 280 CD1 LEU A 20 42.596 -16.889 5.684 1.00 0.00 C ATOM 281 CD2 LEU A 20 43.050 -16.556 3.247 1.00 0.00 C ATOM 0 H LEU A 20 39.963 -20.075 3.395 1.00 0.00 H new ATOM 0 HA LEU A 20 42.122 -18.654 1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 20 41.714 -19.277 4.873 1.00 0.00 H new ATOM 0 HB3 LEU A 20 43.330 -19.089 4.223 1.00 0.00 H new ATOM 0 HG LEU A 20 41.151 -16.983 4.120 1.00 0.00 H new ATOM 0 HD11 LEU A 20 42.518 -15.808 5.799 1.00 0.00 H new ATOM 0 HD12 LEU A 20 41.937 -17.379 6.401 1.00 0.00 H new ATOM 0 HD13 LEU A 20 43.625 -17.200 5.865 1.00 0.00 H new ATOM 0 HD21 LEU A 20 42.966 -15.480 3.396 1.00 0.00 H new ATOM 0 HD22 LEU A 20 44.090 -16.858 3.367 1.00 0.00 H new ATOM 0 HD23 LEU A 20 42.712 -16.811 2.243 1.00 0.00 H new ATOM 293 N GLY A 21 43.681 -20.688 1.987 1.00 0.00 N ATOM 294 CA GLY A 21 44.377 -21.929 1.700 1.00 0.00 C ATOM 295 C GLY A 21 45.881 -21.750 1.640 1.00 0.00 C ATOM 296 O GLY A 21 46.413 -20.745 2.112 1.00 0.00 O ATOM 0 H GLY A 21 44.215 -19.842 1.788 1.00 0.00 H new ATOM 0 HA2 GLY A 21 44.132 -22.665 2.466 1.00 0.00 H new ATOM 0 HA3 GLY A 21 44.024 -22.329 0.749 1.00 0.00 H new ATOM 300 N TYR A 22 46.569 -22.728 1.060 1.00 0.00 N ATOM 301 CA TYR A 22 48.021 -22.676 0.945 1.00 0.00 C ATOM 302 C TYR A 22 48.479 -23.204 -0.412 1.00 0.00 C ATOM 303 O TYR A 22 48.048 -24.268 -0.855 1.00 0.00 O ATOM 304 CB TYR A 22 48.672 -23.487 2.066 1.00 0.00 C ATOM 305 CG TYR A 22 48.218 -23.081 3.450 1.00 0.00 C ATOM 306 CD1 TYR A 22 48.803 -22.006 4.107 1.00 0.00 C ATOM 307 CD2 TYR A 22 47.203 -23.772 4.100 1.00 0.00 C ATOM 308 CE1 TYR A 22 48.391 -21.632 5.372 1.00 0.00 C ATOM 309 CE2 TYR A 22 46.784 -23.404 5.364 1.00 0.00 C ATOM 310 CZ TYR A 22 47.381 -22.333 5.995 1.00 0.00 C ATOM 311 OH TYR A 22 46.967 -21.965 7.255 1.00 0.00 O ATOM 0 H TYR A 22 46.144 -23.566 0.663 1.00 0.00 H new ATOM 0 HA TYR A 22 48.330 -21.634 1.033 1.00 0.00 H new ATOM 0 HB2 TYR A 22 48.449 -24.543 1.915 1.00 0.00 H new ATOM 0 HB3 TYR A 22 49.754 -23.377 2.001 1.00 0.00 H new ATOM 0 HD1 TYR A 22 49.593 -21.453 3.621 1.00 0.00 H new ATOM 0 HD2 TYR A 22 46.733 -24.611 3.609 1.00 0.00 H new ATOM 0 HE1 TYR A 22 48.858 -20.795 5.870 1.00 0.00 H new ATOM 0 HE2 TYR A 22 45.993 -23.952 5.855 1.00 0.00 H new ATOM 0 HH TYR A 22 46.247 -22.561 7.550 1.00 0.00 H new ATOM 321 N VAL A 23 49.357 -22.451 -1.067 1.00 0.00 N ATOM 322 CA VAL A 23 49.876 -22.842 -2.372 1.00 0.00 C ATOM 323 C VAL A 23 50.465 -24.247 -2.330 1.00 0.00 C ATOM 324 O VAL A 23 51.553 -24.460 -1.796 1.00 0.00 O ATOM 325 CB VAL A 23 50.955 -21.859 -2.864 1.00 0.00 C ATOM 326 CG1 VAL A 23 51.467 -22.271 -4.236 1.00 0.00 C ATOM 327 CG2 VAL A 23 50.408 -20.440 -2.895 1.00 0.00 C ATOM 0 H VAL A 23 49.724 -21.567 -0.715 1.00 0.00 H new ATOM 0 HA VAL A 23 49.035 -22.824 -3.066 1.00 0.00 H new ATOM 0 HB VAL A 23 51.792 -21.887 -2.167 1.00 0.00 H new ATOM 0 HG11 VAL A 23 52.228 -21.565 -4.567 1.00 0.00 H new ATOM 0 HG12 VAL A 23 51.899 -23.270 -4.178 1.00 0.00 H new ATOM 0 HG13 VAL A 23 50.641 -22.274 -4.947 1.00 0.00 H new ATOM 0 HG21 VAL A 23 51.184 -19.759 -3.245 1.00 0.00 H new ATOM 0 HG22 VAL A 23 49.553 -20.394 -3.570 1.00 0.00 H new ATOM 0 HG23 VAL A 23 50.095 -20.149 -1.892 1.00 0.00 H new ATOM 337 N ALA A 24 49.739 -25.204 -2.898 1.00 0.00 N ATOM 338 CA ALA A 24 50.190 -26.590 -2.929 1.00 0.00 C ATOM 339 C ALA A 24 51.177 -26.821 -4.069 1.00 0.00 C ATOM 340 O ALA A 24 52.226 -27.438 -3.881 1.00 0.00 O ATOM 341 CB ALA A 24 49.001 -27.530 -3.059 1.00 0.00 C ATOM 0 H ALA A 24 48.835 -25.045 -3.343 1.00 0.00 H new ATOM 0 HA ALA A 24 50.703 -26.800 -1.991 1.00 0.00 H new ATOM 0 HB1 ALA A 24 49.353 -28.561 -3.081 1.00 0.00 H new ATOM 0 HB2 ALA A 24 48.334 -27.392 -2.208 1.00 0.00 H new ATOM 0 HB3 ALA A 24 48.463 -27.311 -3.981 1.00 0.00 H new ATOM 347 N THR A 25 50.834 -26.322 -5.252 1.00 0.00 N ATOM 348 CA THR A 25 51.688 -26.476 -6.423 1.00 0.00 C ATOM 349 C THR A 25 51.664 -25.222 -7.289 1.00 0.00 C ATOM 350 O THR A 25 50.599 -24.677 -7.582 1.00 0.00 O ATOM 351 CB THR A 25 51.259 -27.684 -7.277 1.00 0.00 C ATOM 352 OG1 THR A 25 51.255 -28.872 -6.477 1.00 0.00 O ATOM 353 CG2 THR A 25 52.194 -27.868 -8.463 1.00 0.00 C ATOM 0 H THR A 25 49.970 -25.807 -5.425 1.00 0.00 H new ATOM 0 HA THR A 25 52.701 -26.642 -6.056 1.00 0.00 H new ATOM 0 HB THR A 25 50.253 -27.496 -7.654 1.00 0.00 H new ATOM 0 HG1 THR A 25 50.980 -29.635 -7.026 1.00 0.00 H new ATOM 0 HG21 THR A 25 51.871 -28.727 -9.051 1.00 0.00 H new ATOM 0 HG22 THR A 25 52.173 -26.973 -9.085 1.00 0.00 H new ATOM 0 HG23 THR A 25 53.209 -28.036 -8.103 1.00 0.00 H new ATOM 361 N LEU A 26 52.844 -24.769 -7.698 1.00 0.00 N ATOM 362 CA LEU A 26 52.958 -23.578 -8.533 1.00 0.00 C ATOM 363 C LEU A 26 53.711 -23.888 -9.823 1.00 0.00 C ATOM 364 O LEU A 26 54.909 -24.168 -9.804 1.00 0.00 O ATOM 365 CB LEU A 26 53.673 -22.462 -7.769 1.00 0.00 C ATOM 366 CG LEU A 26 52.836 -21.220 -7.458 1.00 0.00 C ATOM 367 CD1 LEU A 26 53.540 -20.346 -6.431 1.00 0.00 C ATOM 368 CD2 LEU A 26 52.557 -20.433 -8.730 1.00 0.00 C ATOM 0 H LEU A 26 53.735 -25.208 -7.465 1.00 0.00 H new ATOM 0 HA LEU A 26 51.952 -23.247 -8.791 1.00 0.00 H new ATOM 0 HB2 LEU A 26 54.043 -22.871 -6.829 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.544 -22.153 -8.347 1.00 0.00 H new ATOM 0 HG LEU A 26 51.883 -21.543 -7.038 1.00 0.00 H new ATOM 0 HD11 LEU A 26 52.930 -19.467 -6.222 1.00 0.00 H new ATOM 0 HD12 LEU A 26 53.688 -20.912 -5.511 1.00 0.00 H new ATOM 0 HD13 LEU A 26 54.507 -20.032 -6.823 1.00 0.00 H new ATOM 0 HD21 LEU A 26 51.960 -19.553 -8.490 1.00 0.00 H new ATOM 0 HD22 LEU A 26 53.500 -20.121 -9.179 1.00 0.00 H new ATOM 0 HD23 LEU A 26 52.010 -21.061 -9.434 1.00 0.00 H new ATOM 380 N LYS A 27 52.999 -23.833 -10.944 1.00 0.00 N ATOM 381 CA LYS A 27 53.599 -24.104 -12.245 1.00 0.00 C ATOM 382 C LYS A 27 53.795 -22.813 -13.034 1.00 0.00 C ATOM 383 O LYS A 27 53.489 -21.725 -12.547 1.00 0.00 O ATOM 384 CB LYS A 27 52.722 -25.073 -13.042 1.00 0.00 C ATOM 385 CG LYS A 27 52.442 -26.377 -12.316 1.00 0.00 C ATOM 386 CD LYS A 27 53.608 -27.344 -12.436 1.00 0.00 C ATOM 387 CE LYS A 27 53.213 -28.750 -12.009 1.00 0.00 C ATOM 388 NZ LYS A 27 54.403 -29.601 -11.733 1.00 0.00 N ATOM 0 H LYS A 27 52.006 -23.603 -10.977 1.00 0.00 H new ATOM 0 HA LYS A 27 54.575 -24.559 -12.079 1.00 0.00 H new ATOM 0 HB2 LYS A 27 51.775 -24.586 -13.274 1.00 0.00 H new ATOM 0 HB3 LYS A 27 53.209 -25.293 -13.992 1.00 0.00 H new ATOM 0 HG2 LYS A 27 52.244 -26.173 -11.264 1.00 0.00 H new ATOM 0 HG3 LYS A 27 51.543 -26.837 -12.726 1.00 0.00 H new ATOM 0 HD2 LYS A 27 53.963 -27.362 -13.467 1.00 0.00 H new ATOM 0 HD3 LYS A 27 54.437 -26.995 -11.820 1.00 0.00 H new ATOM 0 HE2 LYS A 27 52.590 -28.697 -11.116 1.00 0.00 H new ATOM 0 HE3 LYS A 27 52.610 -29.211 -12.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 54.091 -30.551 -11.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 54.985 -29.673 -12.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 54.965 -29.175 -10.969 1.00 0.00 H new ATOM 402 N ASP A 28 54.304 -22.942 -14.254 1.00 0.00 N ATOM 403 CA ASP A 28 54.538 -21.786 -15.111 1.00 0.00 C ATOM 404 C ASP A 28 53.325 -21.509 -15.993 1.00 0.00 C ATOM 405 O ASP A 28 53.458 -21.294 -17.197 1.00 0.00 O ATOM 406 CB ASP A 28 55.777 -22.011 -15.980 1.00 0.00 C ATOM 407 CG ASP A 28 57.068 -21.803 -15.214 1.00 0.00 C ATOM 408 OD1 ASP A 28 57.500 -22.742 -14.513 1.00 0.00 O ATOM 409 OD2 ASP A 28 57.647 -20.701 -15.315 1.00 0.00 O ATOM 0 H ASP A 28 54.563 -23.836 -14.672 1.00 0.00 H new ATOM 0 HA ASP A 28 54.705 -20.919 -14.472 1.00 0.00 H new ATOM 0 HB2 ASP A 28 55.756 -23.024 -16.382 1.00 0.00 H new ATOM 0 HB3 ASP A 28 55.749 -21.330 -16.830 1.00 0.00 H new ATOM 414 N ASN A 29 52.143 -21.517 -15.385 1.00 0.00 N ATOM 415 CA ASN A 29 50.906 -21.269 -16.116 1.00 0.00 C ATOM 416 C ASN A 29 49.707 -21.269 -15.173 1.00 0.00 C ATOM 417 O ASN A 29 48.835 -20.405 -15.259 1.00 0.00 O ATOM 418 CB ASN A 29 50.712 -22.325 -17.206 1.00 0.00 C ATOM 419 CG ASN A 29 50.144 -21.740 -18.484 1.00 0.00 C ATOM 420 OD1 ASN A 29 50.881 -21.432 -19.421 1.00 0.00 O ATOM 421 ND2 ASN A 29 48.826 -21.583 -18.528 1.00 0.00 N ATOM 0 H ASN A 29 52.016 -21.693 -14.388 1.00 0.00 H new ATOM 0 HA ASN A 29 50.980 -20.286 -16.581 1.00 0.00 H new ATOM 0 HB2 ASN A 29 51.669 -22.801 -17.421 1.00 0.00 H new ATOM 0 HB3 ASN A 29 50.044 -23.104 -16.838 1.00 0.00 H new ATOM 0 HD21 ASN A 29 48.386 -21.193 -19.362 1.00 0.00 H new ATOM 0 HD22 ASN A 29 48.253 -21.852 -17.728 1.00 0.00 H new ATOM 428 N PHE A 30 49.671 -22.245 -14.271 1.00 0.00 N ATOM 429 CA PHE A 30 48.580 -22.359 -13.311 1.00 0.00 C ATOM 430 C PHE A 30 49.091 -22.858 -11.963 1.00 0.00 C ATOM 431 O PHE A 30 50.205 -23.370 -11.860 1.00 0.00 O ATOM 432 CB PHE A 30 47.502 -23.306 -13.842 1.00 0.00 C ATOM 433 CG PHE A 30 48.051 -24.594 -14.387 1.00 0.00 C ATOM 434 CD1 PHE A 30 48.629 -25.528 -13.542 1.00 0.00 C ATOM 435 CD2 PHE A 30 47.989 -24.871 -15.743 1.00 0.00 C ATOM 436 CE1 PHE A 30 49.135 -26.714 -14.039 1.00 0.00 C ATOM 437 CE2 PHE A 30 48.493 -26.055 -16.246 1.00 0.00 C ATOM 438 CZ PHE A 30 49.068 -26.978 -15.394 1.00 0.00 C ATOM 0 H PHE A 30 50.385 -22.968 -14.185 1.00 0.00 H new ATOM 0 HA PHE A 30 48.148 -21.368 -13.172 1.00 0.00 H new ATOM 0 HB2 PHE A 30 46.800 -23.531 -13.039 1.00 0.00 H new ATOM 0 HB3 PHE A 30 46.939 -22.800 -14.626 1.00 0.00 H new ATOM 0 HD1 PHE A 30 48.685 -25.327 -12.482 1.00 0.00 H new ATOM 0 HD2 PHE A 30 47.542 -24.153 -16.415 1.00 0.00 H new ATOM 0 HE1 PHE A 30 49.582 -27.434 -13.369 1.00 0.00 H new ATOM 0 HE2 PHE A 30 48.437 -26.259 -17.305 1.00 0.00 H new ATOM 0 HZ PHE A 30 49.464 -27.903 -15.786 1.00 0.00 H new ATOM 448 N GLY A 31 48.268 -22.703 -10.930 1.00 0.00 N ATOM 449 CA GLY A 31 48.654 -23.141 -9.602 1.00 0.00 C ATOM 450 C GLY A 31 47.569 -23.952 -8.921 1.00 0.00 C ATOM 451 O GLY A 31 46.490 -24.150 -9.478 1.00 0.00 O ATOM 0 H GLY A 31 47.341 -22.282 -10.990 1.00 0.00 H new ATOM 0 HA2 GLY A 31 49.562 -23.740 -9.670 1.00 0.00 H new ATOM 0 HA3 GLY A 31 48.891 -22.271 -8.990 1.00 0.00 H new ATOM 455 N PHE A 32 47.857 -24.425 -7.712 1.00 0.00 N ATOM 456 CA PHE A 32 46.899 -25.222 -6.956 1.00 0.00 C ATOM 457 C PHE A 32 46.869 -24.792 -5.492 1.00 0.00 C ATOM 458 O PHE A 32 47.909 -24.509 -4.896 1.00 0.00 O ATOM 459 CB PHE A 32 47.248 -26.708 -7.055 1.00 0.00 C ATOM 460 CG PHE A 32 46.850 -27.331 -8.363 1.00 0.00 C ATOM 461 CD1 PHE A 32 45.567 -27.820 -8.550 1.00 0.00 C ATOM 462 CD2 PHE A 32 47.758 -27.429 -9.404 1.00 0.00 C ATOM 463 CE1 PHE A 32 45.197 -28.394 -9.752 1.00 0.00 C ATOM 464 CE2 PHE A 32 47.394 -28.001 -10.608 1.00 0.00 C ATOM 465 CZ PHE A 32 46.112 -28.485 -10.782 1.00 0.00 C ATOM 0 H PHE A 32 48.746 -24.270 -7.236 1.00 0.00 H new ATOM 0 HA PHE A 32 45.910 -25.059 -7.385 1.00 0.00 H new ATOM 0 HB2 PHE A 32 48.322 -26.831 -6.915 1.00 0.00 H new ATOM 0 HB3 PHE A 32 46.757 -27.243 -6.242 1.00 0.00 H new ATOM 0 HD1 PHE A 32 44.848 -27.752 -7.747 1.00 0.00 H new ATOM 0 HD2 PHE A 32 48.762 -27.054 -9.273 1.00 0.00 H new ATOM 0 HE1 PHE A 32 44.194 -28.771 -9.885 1.00 0.00 H new ATOM 0 HE2 PHE A 32 48.111 -28.070 -11.412 1.00 0.00 H new ATOM 0 HZ PHE A 32 45.826 -28.934 -11.722 1.00 0.00 H new ATOM 475 N ILE A 33 45.671 -24.745 -4.919 1.00 0.00 N ATOM 476 CA ILE A 33 45.506 -24.350 -3.526 1.00 0.00 C ATOM 477 C ILE A 33 45.023 -25.521 -2.676 1.00 0.00 C ATOM 478 O ILE A 33 44.037 -26.176 -3.010 1.00 0.00 O ATOM 479 CB ILE A 33 44.511 -23.183 -3.385 1.00 0.00 C ATOM 480 CG1 ILE A 33 44.964 -21.994 -4.234 1.00 0.00 C ATOM 481 CG2 ILE A 33 44.374 -22.777 -1.926 1.00 0.00 C ATOM 482 CD1 ILE A 33 43.959 -20.864 -4.276 1.00 0.00 C ATOM 0 H ILE A 33 44.801 -24.976 -5.398 1.00 0.00 H new ATOM 0 HA ILE A 33 46.485 -24.026 -3.172 1.00 0.00 H new ATOM 0 HB ILE A 33 43.535 -23.511 -3.743 1.00 0.00 H new ATOM 0 HG12 ILE A 33 45.908 -21.616 -3.841 1.00 0.00 H new ATOM 0 HG13 ILE A 33 45.157 -22.336 -5.251 1.00 0.00 H new ATOM 0 HG21 ILE A 33 43.667 -21.951 -1.843 1.00 0.00 H new ATOM 0 HG22 ILE A 33 44.011 -23.625 -1.345 1.00 0.00 H new ATOM 0 HG23 ILE A 33 45.345 -22.464 -1.543 1.00 0.00 H new ATOM 0 HD11 ILE A 33 44.346 -20.055 -4.896 1.00 0.00 H new ATOM 0 HD12 ILE A 33 43.021 -21.227 -4.697 1.00 0.00 H new ATOM 0 HD13 ILE A 33 43.784 -20.495 -3.265 1.00 0.00 H new ATOM 494 N GLU A 34 45.724 -25.776 -1.576 1.00 0.00 N ATOM 495 CA GLU A 34 45.365 -26.867 -0.678 1.00 0.00 C ATOM 496 C GLU A 34 44.608 -26.344 0.539 1.00 0.00 C ATOM 497 O GLU A 34 45.128 -25.536 1.309 1.00 0.00 O ATOM 498 CB GLU A 34 46.618 -27.620 -0.227 1.00 0.00 C ATOM 499 CG GLU A 34 46.784 -28.977 -0.890 1.00 0.00 C ATOM 500 CD GLU A 34 48.022 -29.712 -0.412 1.00 0.00 C ATOM 501 OE1 GLU A 34 48.925 -29.052 0.145 1.00 0.00 O ATOM 502 OE2 GLU A 34 48.089 -30.945 -0.596 1.00 0.00 O ATOM 0 H GLU A 34 46.543 -25.242 -1.285 1.00 0.00 H new ATOM 0 HA GLU A 34 44.715 -27.551 -1.223 1.00 0.00 H new ATOM 0 HB2 GLU A 34 47.495 -27.010 -0.442 1.00 0.00 H new ATOM 0 HB3 GLU A 34 46.581 -27.755 0.854 1.00 0.00 H new ATOM 0 HG2 GLU A 34 45.903 -29.586 -0.687 1.00 0.00 H new ATOM 0 HG3 GLU A 34 46.839 -28.845 -1.971 1.00 0.00 H new ATOM 509 N THR A 35 43.374 -26.809 0.707 1.00 0.00 N ATOM 510 CA THR A 35 42.543 -26.388 1.828 1.00 0.00 C ATOM 511 C THR A 35 43.085 -26.927 3.147 1.00 0.00 C ATOM 512 O THR A 35 44.021 -27.726 3.164 1.00 0.00 O ATOM 513 CB THR A 35 41.086 -26.856 1.655 1.00 0.00 C ATOM 514 OG1 THR A 35 40.997 -28.270 1.869 1.00 0.00 O ATOM 515 CG2 THR A 35 40.569 -26.515 0.266 1.00 0.00 C ATOM 0 H THR A 35 42.928 -27.478 0.080 1.00 0.00 H new ATOM 0 HA THR A 35 42.566 -25.298 1.847 1.00 0.00 H new ATOM 0 HB THR A 35 40.471 -26.338 2.391 1.00 0.00 H new ATOM 0 HG1 THR A 35 40.067 -28.560 1.759 1.00 0.00 H new ATOM 0 HG21 THR A 35 39.538 -26.855 0.168 1.00 0.00 H new ATOM 0 HG22 THR A 35 40.611 -25.436 0.117 1.00 0.00 H new ATOM 0 HG23 THR A 35 41.187 -27.009 -0.484 1.00 0.00 H new ATOM 523 N ALA A 36 42.491 -26.485 4.250 1.00 0.00 N ATOM 524 CA ALA A 36 42.913 -26.925 5.574 1.00 0.00 C ATOM 525 C ALA A 36 42.753 -28.434 5.728 1.00 0.00 C ATOM 526 O ALA A 36 43.565 -29.091 6.377 1.00 0.00 O ATOM 527 CB ALA A 36 42.122 -26.196 6.650 1.00 0.00 C ATOM 0 H ALA A 36 41.716 -25.822 4.253 1.00 0.00 H new ATOM 0 HA ALA A 36 43.970 -26.684 5.690 1.00 0.00 H new ATOM 0 HB1 ALA A 36 42.448 -26.535 7.633 1.00 0.00 H new ATOM 0 HB2 ALA A 36 42.291 -25.123 6.561 1.00 0.00 H new ATOM 0 HB3 ALA A 36 41.060 -26.408 6.527 1.00 0.00 H new ATOM 533 N ASN A 37 41.699 -28.977 5.125 1.00 0.00 N ATOM 534 CA ASN A 37 41.432 -30.409 5.197 1.00 0.00 C ATOM 535 C ASN A 37 42.434 -31.192 4.354 1.00 0.00 C ATOM 536 O ASN A 37 42.681 -32.373 4.602 1.00 0.00 O ATOM 537 CB ASN A 37 40.008 -30.707 4.723 1.00 0.00 C ATOM 538 CG ASN A 37 38.958 -30.195 5.691 1.00 0.00 C ATOM 539 OD1 ASN A 37 39.134 -30.261 6.907 1.00 0.00 O ATOM 540 ND2 ASN A 37 37.858 -29.682 5.153 1.00 0.00 N ATOM 0 H ASN A 37 41.017 -28.447 4.582 1.00 0.00 H new ATOM 0 HA ASN A 37 41.536 -30.721 6.236 1.00 0.00 H new ATOM 0 HB2 ASN A 37 39.850 -30.251 3.746 1.00 0.00 H new ATOM 0 HB3 ASN A 37 39.888 -31.783 4.596 1.00 0.00 H new ATOM 0 HD21 ASN A 37 37.116 -29.322 5.754 1.00 0.00 H new ATOM 0 HD22 ASN A 37 37.755 -29.647 4.139 1.00 0.00 H new ATOM 547 N HIS A 38 43.010 -30.526 3.358 1.00 0.00 N ATOM 548 CA HIS A 38 43.987 -31.159 2.479 1.00 0.00 C ATOM 549 C HIS A 38 43.388 -32.383 1.793 1.00 0.00 C ATOM 550 O HIS A 38 44.067 -33.391 1.595 1.00 0.00 O ATOM 551 CB HIS A 38 45.231 -31.562 3.272 1.00 0.00 C ATOM 552 CG HIS A 38 46.064 -30.398 3.712 1.00 0.00 C ATOM 553 ND1 HIS A 38 46.015 -29.877 4.987 1.00 0.00 N ATOM 554 CD2 HIS A 38 46.972 -29.654 3.038 1.00 0.00 C ATOM 555 CE1 HIS A 38 46.855 -28.862 5.079 1.00 0.00 C ATOM 556 NE2 HIS A 38 47.449 -28.706 3.909 1.00 0.00 N ATOM 0 H HIS A 38 42.817 -29.549 3.140 1.00 0.00 H new ATOM 0 HA HIS A 38 44.271 -30.438 1.713 1.00 0.00 H new ATOM 0 HB2 HIS A 38 44.924 -32.131 4.150 1.00 0.00 H new ATOM 0 HB3 HIS A 38 45.843 -32.225 2.660 1.00 0.00 H new ATOM 0 HD1 HIS A 38 45.422 -30.222 5.742 1.00 0.00 H new ATOM 0 HD2 HIS A 38 47.266 -29.782 2.007 1.00 0.00 H new ATOM 0 HE1 HIS A 38 47.027 -28.262 5.960 1.00 0.00 H new ATOM 564 N ASP A 39 42.112 -32.288 1.434 1.00 0.00 N ATOM 565 CA ASP A 39 41.422 -33.388 0.769 1.00 0.00 C ATOM 566 C ASP A 39 41.012 -32.996 -0.647 1.00 0.00 C ATOM 567 O ASP A 39 40.877 -33.848 -1.525 1.00 0.00 O ATOM 568 CB ASP A 39 40.188 -33.803 1.573 1.00 0.00 C ATOM 569 CG ASP A 39 39.759 -35.227 1.280 1.00 0.00 C ATOM 570 OD1 ASP A 39 40.476 -36.161 1.697 1.00 0.00 O ATOM 571 OD2 ASP A 39 38.707 -35.409 0.632 1.00 0.00 O ATOM 0 H ASP A 39 41.535 -31.462 1.592 1.00 0.00 H new ATOM 0 HA ASP A 39 42.109 -34.232 0.709 1.00 0.00 H new ATOM 0 HB2 ASP A 39 40.401 -33.702 2.637 1.00 0.00 H new ATOM 0 HB3 ASP A 39 39.365 -33.125 1.347 1.00 0.00 H new ATOM 576 N LYS A 40 40.815 -31.699 -0.863 1.00 0.00 N ATOM 577 CA LYS A 40 40.422 -31.193 -2.172 1.00 0.00 C ATOM 578 C LYS A 40 41.412 -30.144 -2.670 1.00 0.00 C ATOM 579 O LYS A 40 42.046 -29.451 -1.876 1.00 0.00 O ATOM 580 CB LYS A 40 39.016 -30.592 -2.108 1.00 0.00 C ATOM 581 CG LYS A 40 38.096 -31.076 -3.216 1.00 0.00 C ATOM 582 CD LYS A 40 37.064 -30.024 -3.583 1.00 0.00 C ATOM 583 CE LYS A 40 35.726 -30.297 -2.913 1.00 0.00 C ATOM 584 NZ LYS A 40 34.583 -30.046 -3.834 1.00 0.00 N ATOM 0 H LYS A 40 40.921 -30.980 -0.148 1.00 0.00 H new ATOM 0 HA LYS A 40 40.422 -32.029 -2.872 1.00 0.00 H new ATOM 0 HB2 LYS A 40 38.569 -30.836 -1.144 1.00 0.00 H new ATOM 0 HB3 LYS A 40 39.092 -29.506 -2.159 1.00 0.00 H new ATOM 0 HG2 LYS A 40 38.687 -31.330 -4.096 1.00 0.00 H new ATOM 0 HG3 LYS A 40 37.590 -31.988 -2.898 1.00 0.00 H new ATOM 0 HD2 LYS A 40 37.426 -29.039 -3.287 1.00 0.00 H new ATOM 0 HD3 LYS A 40 36.933 -30.004 -4.665 1.00 0.00 H new ATOM 0 HE2 LYS A 40 35.696 -31.331 -2.570 1.00 0.00 H new ATOM 0 HE3 LYS A 40 35.626 -29.666 -2.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 33.689 -30.243 -3.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 34.597 -29.053 -4.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 34.664 -30.667 -4.665 1.00 0.00 H new ATOM 598 N GLU A 41 41.536 -30.034 -3.989 1.00 0.00 N ATOM 599 CA GLU A 41 42.449 -29.068 -4.591 1.00 0.00 C ATOM 600 C GLU A 41 41.684 -28.040 -5.420 1.00 0.00 C ATOM 601 O GLU A 41 40.581 -28.309 -5.897 1.00 0.00 O ATOM 602 CB GLU A 41 43.477 -29.784 -5.469 1.00 0.00 C ATOM 603 CG GLU A 41 44.169 -30.945 -4.773 1.00 0.00 C ATOM 604 CD GLU A 41 45.672 -30.760 -4.685 1.00 0.00 C ATOM 605 OE1 GLU A 41 46.313 -30.595 -5.744 1.00 0.00 O ATOM 606 OE2 GLU A 41 46.206 -30.780 -3.557 1.00 0.00 O ATOM 0 H GLU A 41 41.017 -30.600 -4.660 1.00 0.00 H new ATOM 0 HA GLU A 41 42.968 -28.547 -3.787 1.00 0.00 H new ATOM 0 HB2 GLU A 41 42.981 -30.153 -6.367 1.00 0.00 H new ATOM 0 HB3 GLU A 41 44.229 -29.065 -5.793 1.00 0.00 H new ATOM 0 HG2 GLU A 41 43.761 -31.057 -3.768 1.00 0.00 H new ATOM 0 HG3 GLU A 41 43.951 -31.868 -5.310 1.00 0.00 H new ATOM 613 N ILE A 42 42.278 -26.863 -5.585 1.00 0.00 N ATOM 614 CA ILE A 42 41.653 -25.795 -6.356 1.00 0.00 C ATOM 615 C ILE A 42 42.447 -25.495 -7.623 1.00 0.00 C ATOM 616 O ILE A 42 43.673 -25.608 -7.641 1.00 0.00 O ATOM 617 CB ILE A 42 41.523 -24.504 -5.527 1.00 0.00 C ATOM 618 CG1 ILE A 42 40.902 -24.809 -4.162 1.00 0.00 C ATOM 619 CG2 ILE A 42 40.690 -23.475 -6.276 1.00 0.00 C ATOM 620 CD1 ILE A 42 39.503 -25.378 -4.249 1.00 0.00 C ATOM 0 H ILE A 42 43.190 -26.625 -5.196 1.00 0.00 H new ATOM 0 HA ILE A 42 40.657 -26.144 -6.628 1.00 0.00 H new ATOM 0 HB ILE A 42 42.519 -24.090 -5.368 1.00 0.00 H new ATOM 0 HG12 ILE A 42 41.540 -25.515 -3.631 1.00 0.00 H new ATOM 0 HG13 ILE A 42 40.877 -23.894 -3.570 1.00 0.00 H new ATOM 0 HG21 ILE A 42 40.607 -22.568 -5.677 1.00 0.00 H new ATOM 0 HG22 ILE A 42 41.170 -23.240 -7.226 1.00 0.00 H new ATOM 0 HG23 ILE A 42 39.695 -23.879 -6.463 1.00 0.00 H new ATOM 0 HD11 ILE A 42 39.125 -25.570 -3.245 1.00 0.00 H new ATOM 0 HD12 ILE A 42 38.851 -24.664 -4.752 1.00 0.00 H new ATOM 0 HD13 ILE A 42 39.524 -26.310 -4.813 1.00 0.00 H new ATOM 632 N PHE A 43 41.741 -25.109 -8.680 1.00 0.00 N ATOM 633 CA PHE A 43 42.380 -24.790 -9.951 1.00 0.00 C ATOM 634 C PHE A 43 42.116 -23.340 -10.345 1.00 0.00 C ATOM 635 O PHE A 43 40.995 -22.976 -10.703 1.00 0.00 O ATOM 636 CB PHE A 43 41.874 -25.728 -11.049 1.00 0.00 C ATOM 637 CG PHE A 43 42.352 -25.355 -12.424 1.00 0.00 C ATOM 638 CD1 PHE A 43 43.551 -25.849 -12.913 1.00 0.00 C ATOM 639 CD2 PHE A 43 41.602 -24.511 -13.227 1.00 0.00 C ATOM 640 CE1 PHE A 43 43.993 -25.506 -14.176 1.00 0.00 C ATOM 641 CE2 PHE A 43 42.039 -24.165 -14.492 1.00 0.00 C ATOM 642 CZ PHE A 43 43.235 -24.665 -14.967 1.00 0.00 C ATOM 0 H PHE A 43 40.726 -25.009 -8.682 1.00 0.00 H new ATOM 0 HA PHE A 43 43.455 -24.925 -9.832 1.00 0.00 H new ATOM 0 HB2 PHE A 43 42.197 -26.745 -10.824 1.00 0.00 H new ATOM 0 HB3 PHE A 43 40.784 -25.730 -11.040 1.00 0.00 H new ATOM 0 HD1 PHE A 43 44.146 -26.509 -12.300 1.00 0.00 H new ATOM 0 HD2 PHE A 43 40.665 -24.119 -12.860 1.00 0.00 H new ATOM 0 HE1 PHE A 43 44.931 -25.895 -14.545 1.00 0.00 H new ATOM 0 HE2 PHE A 43 41.446 -23.505 -15.108 1.00 0.00 H new ATOM 0 HZ PHE A 43 43.577 -24.399 -15.956 1.00 0.00 H new ATOM 652 N PHE A 44 43.156 -22.515 -10.275 1.00 0.00 N ATOM 653 CA PHE A 44 43.037 -21.104 -10.621 1.00 0.00 C ATOM 654 C PHE A 44 44.053 -20.720 -11.693 1.00 0.00 C ATOM 655 O PHE A 44 45.236 -21.044 -11.587 1.00 0.00 O ATOM 656 CB PHE A 44 43.235 -20.233 -9.379 1.00 0.00 C ATOM 657 CG PHE A 44 44.643 -20.246 -8.856 1.00 0.00 C ATOM 658 CD1 PHE A 44 45.065 -21.241 -7.989 1.00 0.00 C ATOM 659 CD2 PHE A 44 45.545 -19.264 -9.232 1.00 0.00 C ATOM 660 CE1 PHE A 44 46.360 -21.255 -7.506 1.00 0.00 C ATOM 661 CE2 PHE A 44 46.841 -19.273 -8.753 1.00 0.00 C ATOM 662 CZ PHE A 44 47.249 -20.270 -7.889 1.00 0.00 C ATOM 0 H PHE A 44 44.090 -22.800 -9.982 1.00 0.00 H new ATOM 0 HA PHE A 44 42.035 -20.936 -11.017 1.00 0.00 H new ATOM 0 HB2 PHE A 44 42.953 -19.207 -9.616 1.00 0.00 H new ATOM 0 HB3 PHE A 44 42.561 -20.575 -8.594 1.00 0.00 H new ATOM 0 HD1 PHE A 44 44.374 -22.014 -7.687 1.00 0.00 H new ATOM 0 HD2 PHE A 44 45.231 -18.482 -9.908 1.00 0.00 H new ATOM 0 HE1 PHE A 44 46.676 -22.035 -6.830 1.00 0.00 H new ATOM 0 HE2 PHE A 44 47.534 -18.501 -9.054 1.00 0.00 H new ATOM 0 HZ PHE A 44 48.262 -20.279 -7.513 1.00 0.00 H new ATOM 672 N HIS A 45 43.583 -20.027 -12.725 1.00 0.00 N ATOM 673 CA HIS A 45 44.450 -19.598 -13.817 1.00 0.00 C ATOM 674 C HIS A 45 45.206 -18.327 -13.443 1.00 0.00 C ATOM 675 O HIS A 45 44.702 -17.491 -12.692 1.00 0.00 O ATOM 676 CB HIS A 45 43.629 -19.363 -15.085 1.00 0.00 C ATOM 677 CG HIS A 45 43.999 -20.274 -16.215 1.00 0.00 C ATOM 678 ND1 HIS A 45 45.302 -20.499 -16.605 1.00 0.00 N ATOM 679 CD2 HIS A 45 43.227 -21.020 -17.040 1.00 0.00 C ATOM 680 CE1 HIS A 45 45.316 -21.343 -17.621 1.00 0.00 C ATOM 681 NE2 HIS A 45 44.069 -21.675 -17.904 1.00 0.00 N ATOM 0 H HIS A 45 42.607 -19.750 -12.828 1.00 0.00 H new ATOM 0 HA HIS A 45 45.176 -20.389 -14.005 1.00 0.00 H new ATOM 0 HB2 HIS A 45 42.572 -19.495 -14.853 1.00 0.00 H new ATOM 0 HB3 HIS A 45 43.758 -18.329 -15.405 1.00 0.00 H new ATOM 0 HD2 HIS A 45 42.149 -21.087 -17.022 1.00 0.00 H new ATOM 0 HE1 HIS A 45 46.197 -21.701 -18.133 1.00 0.00 H new ATOM 0 HE2 HIS A 45 43.779 -22.314 -18.644 1.00 0.00 H new ATOM 689 N TYR A 46 46.416 -18.187 -13.971 1.00 0.00 N ATOM 690 CA TYR A 46 47.243 -17.020 -13.690 1.00 0.00 C ATOM 691 C TYR A 46 46.494 -15.731 -14.014 1.00 0.00 C ATOM 692 O TYR A 46 46.511 -14.777 -13.236 1.00 0.00 O ATOM 693 CB TYR A 46 48.543 -17.083 -14.494 1.00 0.00 C ATOM 694 CG TYR A 46 49.706 -17.662 -13.721 1.00 0.00 C ATOM 695 CD1 TYR A 46 49.547 -18.797 -12.935 1.00 0.00 C ATOM 696 CD2 TYR A 46 50.964 -17.076 -13.778 1.00 0.00 C ATOM 697 CE1 TYR A 46 50.606 -19.329 -12.226 1.00 0.00 C ATOM 698 CE2 TYR A 46 52.030 -17.602 -13.074 1.00 0.00 C ATOM 699 CZ TYR A 46 51.846 -18.728 -12.299 1.00 0.00 C ATOM 700 OH TYR A 46 52.904 -19.256 -11.595 1.00 0.00 O ATOM 0 H TYR A 46 46.847 -18.868 -14.597 1.00 0.00 H new ATOM 0 HA TYR A 46 47.481 -17.024 -12.626 1.00 0.00 H new ATOM 0 HB2 TYR A 46 48.378 -17.683 -15.389 1.00 0.00 H new ATOM 0 HB3 TYR A 46 48.803 -16.078 -14.827 1.00 0.00 H new ATOM 0 HD1 TYR A 46 48.578 -19.271 -12.878 1.00 0.00 H new ATOM 0 HD2 TYR A 46 51.111 -16.194 -14.383 1.00 0.00 H new ATOM 0 HE1 TYR A 46 50.464 -20.210 -11.618 1.00 0.00 H new ATOM 0 HE2 TYR A 46 53.002 -17.134 -13.130 1.00 0.00 H new ATOM 0 HH TYR A 46 53.134 -20.136 -11.961 1.00 0.00 H new ATOM 710 N SER A 47 45.835 -15.712 -15.168 1.00 0.00 N ATOM 711 CA SER A 47 45.081 -14.540 -15.599 1.00 0.00 C ATOM 712 C SER A 47 44.011 -14.175 -14.573 1.00 0.00 C ATOM 713 O SER A 47 43.647 -13.009 -14.430 1.00 0.00 O ATOM 714 CB SER A 47 44.432 -14.797 -16.960 1.00 0.00 C ATOM 715 OG SER A 47 43.563 -15.915 -16.908 1.00 0.00 O ATOM 0 H SER A 47 45.808 -16.495 -15.821 1.00 0.00 H new ATOM 0 HA SER A 47 45.775 -13.704 -15.688 1.00 0.00 H new ATOM 0 HB2 SER A 47 43.875 -13.914 -17.273 1.00 0.00 H new ATOM 0 HB3 SER A 47 45.205 -14.968 -17.709 1.00 0.00 H new ATOM 0 HG SER A 47 43.160 -16.057 -17.790 1.00 0.00 H new ATOM 721 N GLU A 48 43.513 -15.183 -13.864 1.00 0.00 N ATOM 722 CA GLU A 48 42.485 -14.969 -12.852 1.00 0.00 C ATOM 723 C GLU A 48 43.089 -14.390 -11.576 1.00 0.00 C ATOM 724 O GLU A 48 42.412 -13.701 -10.812 1.00 0.00 O ATOM 725 CB GLU A 48 41.765 -16.282 -12.539 1.00 0.00 C ATOM 726 CG GLU A 48 41.124 -16.930 -13.754 1.00 0.00 C ATOM 727 CD GLU A 48 39.743 -16.379 -14.049 1.00 0.00 C ATOM 728 OE1 GLU A 48 38.901 -16.361 -13.127 1.00 0.00 O ATOM 729 OE2 GLU A 48 39.504 -15.965 -15.203 1.00 0.00 O ATOM 0 H GLU A 48 43.804 -16.155 -13.971 1.00 0.00 H new ATOM 0 HA GLU A 48 41.765 -14.254 -13.249 1.00 0.00 H new ATOM 0 HB2 GLU A 48 42.476 -16.980 -12.098 1.00 0.00 H new ATOM 0 HB3 GLU A 48 40.996 -16.095 -11.790 1.00 0.00 H new ATOM 0 HG2 GLU A 48 41.765 -16.778 -14.623 1.00 0.00 H new ATOM 0 HG3 GLU A 48 41.055 -18.006 -13.593 1.00 0.00 H new ATOM 736 N PHE A 49 44.367 -14.674 -11.352 1.00 0.00 N ATOM 737 CA PHE A 49 45.063 -14.184 -10.168 1.00 0.00 C ATOM 738 C PHE A 49 45.440 -12.714 -10.329 1.00 0.00 C ATOM 739 O PHE A 49 46.188 -12.349 -11.236 1.00 0.00 O ATOM 740 CB PHE A 49 46.319 -15.018 -9.906 1.00 0.00 C ATOM 741 CG PHE A 49 46.925 -14.781 -8.553 1.00 0.00 C ATOM 742 CD1 PHE A 49 47.670 -13.640 -8.303 1.00 0.00 C ATOM 743 CD2 PHE A 49 46.749 -15.699 -7.530 1.00 0.00 C ATOM 744 CE1 PHE A 49 48.229 -13.421 -7.058 1.00 0.00 C ATOM 745 CE2 PHE A 49 47.305 -15.485 -6.283 1.00 0.00 C ATOM 746 CZ PHE A 49 48.045 -14.343 -6.047 1.00 0.00 C ATOM 0 H PHE A 49 44.942 -15.241 -11.975 1.00 0.00 H new ATOM 0 HA PHE A 49 44.389 -14.278 -9.316 1.00 0.00 H new ATOM 0 HB2 PHE A 49 46.070 -16.075 -10.004 1.00 0.00 H new ATOM 0 HB3 PHE A 49 47.061 -14.793 -10.672 1.00 0.00 H new ATOM 0 HD1 PHE A 49 47.816 -12.914 -9.089 1.00 0.00 H new ATOM 0 HD2 PHE A 49 46.170 -16.593 -7.709 1.00 0.00 H new ATOM 0 HE1 PHE A 49 48.810 -12.529 -6.876 1.00 0.00 H new ATOM 0 HE2 PHE A 49 47.161 -16.209 -5.495 1.00 0.00 H new ATOM 0 HZ PHE A 49 48.479 -14.171 -5.073 1.00 0.00 H new ATOM 756 N SER A 50 44.916 -11.875 -9.442 1.00 0.00 N ATOM 757 CA SER A 50 45.193 -10.444 -9.487 1.00 0.00 C ATOM 758 C SER A 50 46.290 -10.071 -8.494 1.00 0.00 C ATOM 759 O SER A 50 46.021 -9.820 -7.320 1.00 0.00 O ATOM 760 CB SER A 50 43.922 -9.647 -9.183 1.00 0.00 C ATOM 761 OG SER A 50 44.222 -8.284 -8.934 1.00 0.00 O ATOM 0 H SER A 50 44.297 -12.161 -8.683 1.00 0.00 H new ATOM 0 HA SER A 50 45.537 -10.197 -10.491 1.00 0.00 H new ATOM 0 HB2 SER A 50 43.232 -9.723 -10.023 1.00 0.00 H new ATOM 0 HB3 SER A 50 43.418 -10.076 -8.317 1.00 0.00 H new ATOM 0 HG SER A 50 43.394 -7.796 -8.744 1.00 0.00 H new ATOM 767 N GLY A 51 47.529 -10.038 -8.975 1.00 0.00 N ATOM 768 CA GLY A 51 48.649 -9.696 -8.118 1.00 0.00 C ATOM 769 C GLY A 51 49.972 -10.190 -8.668 1.00 0.00 C ATOM 770 O GLY A 51 50.165 -10.246 -9.882 1.00 0.00 O ATOM 0 H GLY A 51 47.777 -10.242 -9.943 1.00 0.00 H new ATOM 0 HA2 GLY A 51 48.691 -8.614 -7.995 1.00 0.00 H new ATOM 0 HA3 GLY A 51 48.489 -10.123 -7.128 1.00 0.00 H new ATOM 774 N ASP A 52 50.886 -10.549 -7.773 1.00 0.00 N ATOM 775 CA ASP A 52 52.199 -11.040 -8.175 1.00 0.00 C ATOM 776 C ASP A 52 52.266 -12.560 -8.067 1.00 0.00 C ATOM 777 O ASP A 52 52.925 -13.102 -7.179 1.00 0.00 O ATOM 778 CB ASP A 52 53.291 -10.406 -7.312 1.00 0.00 C ATOM 779 CG ASP A 52 53.210 -8.893 -7.296 1.00 0.00 C ATOM 780 OD1 ASP A 52 52.488 -8.347 -6.435 1.00 0.00 O ATOM 781 OD2 ASP A 52 53.867 -8.254 -8.144 1.00 0.00 O ATOM 0 H ASP A 52 50.742 -10.509 -6.764 1.00 0.00 H new ATOM 0 HA ASP A 52 52.362 -10.760 -9.216 1.00 0.00 H new ATOM 0 HB2 ASP A 52 53.208 -10.782 -6.292 1.00 0.00 H new ATOM 0 HB3 ASP A 52 54.268 -10.711 -7.686 1.00 0.00 H new ATOM 786 N VAL A 53 51.579 -13.244 -8.977 1.00 0.00 N ATOM 787 CA VAL A 53 51.561 -14.702 -8.984 1.00 0.00 C ATOM 788 C VAL A 53 52.963 -15.268 -9.179 1.00 0.00 C ATOM 789 O VAL A 53 53.271 -16.364 -8.710 1.00 0.00 O ATOM 790 CB VAL A 53 50.641 -15.246 -10.094 1.00 0.00 C ATOM 791 CG1 VAL A 53 51.100 -14.754 -11.458 1.00 0.00 C ATOM 792 CG2 VAL A 53 50.600 -16.766 -10.053 1.00 0.00 C ATOM 0 H VAL A 53 51.028 -12.812 -9.719 1.00 0.00 H new ATOM 0 HA VAL A 53 51.176 -15.019 -8.015 1.00 0.00 H new ATOM 0 HB VAL A 53 49.632 -14.872 -9.921 1.00 0.00 H new ATOM 0 HG11 VAL A 53 50.438 -15.149 -12.229 1.00 0.00 H new ATOM 0 HG12 VAL A 53 51.073 -13.665 -11.480 1.00 0.00 H new ATOM 0 HG13 VAL A 53 52.118 -15.096 -11.644 1.00 0.00 H new ATOM 0 HG21 VAL A 53 49.946 -17.134 -10.843 1.00 0.00 H new ATOM 0 HG22 VAL A 53 51.605 -17.161 -10.201 1.00 0.00 H new ATOM 0 HG23 VAL A 53 50.220 -17.094 -9.085 1.00 0.00 H new ATOM 802 N ASP A 54 53.809 -14.514 -9.872 1.00 0.00 N ATOM 803 CA ASP A 54 55.180 -14.939 -10.127 1.00 0.00 C ATOM 804 C ASP A 54 56.017 -14.870 -8.854 1.00 0.00 C ATOM 805 O ASP A 54 56.934 -15.667 -8.657 1.00 0.00 O ATOM 806 CB ASP A 54 55.812 -14.071 -11.216 1.00 0.00 C ATOM 807 CG ASP A 54 56.997 -14.744 -11.879 1.00 0.00 C ATOM 808 OD1 ASP A 54 57.936 -15.139 -11.157 1.00 0.00 O ATOM 809 OD2 ASP A 54 56.986 -14.876 -13.121 1.00 0.00 O ATOM 0 H ASP A 54 53.569 -13.605 -10.267 1.00 0.00 H new ATOM 0 HA ASP A 54 55.155 -15.974 -10.468 1.00 0.00 H new ATOM 0 HB2 ASP A 54 55.062 -13.837 -11.971 1.00 0.00 H new ATOM 0 HB3 ASP A 54 56.132 -13.124 -10.781 1.00 0.00 H new ATOM 814 N SER A 55 55.695 -13.910 -7.992 1.00 0.00 N ATOM 815 CA SER A 55 56.420 -13.733 -6.739 1.00 0.00 C ATOM 816 C SER A 55 55.970 -14.756 -5.701 1.00 0.00 C ATOM 817 O SER A 55 56.730 -15.125 -4.805 1.00 0.00 O ATOM 818 CB SER A 55 56.210 -12.317 -6.200 1.00 0.00 C ATOM 819 OG SER A 55 57.132 -12.024 -5.164 1.00 0.00 O ATOM 0 H SER A 55 54.937 -13.243 -8.139 1.00 0.00 H new ATOM 0 HA SER A 55 57.481 -13.886 -6.937 1.00 0.00 H new ATOM 0 HB2 SER A 55 56.326 -11.596 -7.009 1.00 0.00 H new ATOM 0 HB3 SER A 55 55.192 -12.215 -5.825 1.00 0.00 H new ATOM 0 HG SER A 55 56.978 -11.113 -4.837 1.00 0.00 H new ATOM 825 N LEU A 56 54.728 -15.212 -5.829 1.00 0.00 N ATOM 826 CA LEU A 56 54.174 -16.193 -4.903 1.00 0.00 C ATOM 827 C LEU A 56 55.094 -17.404 -4.778 1.00 0.00 C ATOM 828 O LEU A 56 55.927 -17.654 -5.648 1.00 0.00 O ATOM 829 CB LEU A 56 52.787 -16.638 -5.369 1.00 0.00 C ATOM 830 CG LEU A 56 51.604 -16.111 -4.556 1.00 0.00 C ATOM 831 CD1 LEU A 56 50.290 -16.595 -5.150 1.00 0.00 C ATOM 832 CD2 LEU A 56 51.724 -16.541 -3.101 1.00 0.00 C ATOM 0 H LEU A 56 54.086 -14.918 -6.565 1.00 0.00 H new ATOM 0 HA LEU A 56 54.087 -15.723 -3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 56 52.657 -16.327 -6.406 1.00 0.00 H new ATOM 0 HB3 LEU A 56 52.754 -17.727 -5.357 1.00 0.00 H new ATOM 0 HG LEU A 56 51.617 -15.022 -4.595 1.00 0.00 H new ATOM 0 HD11 LEU A 56 49.460 -16.210 -4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 56 50.201 -16.238 -6.176 1.00 0.00 H new ATOM 0 HD13 LEU A 56 50.267 -17.685 -5.142 1.00 0.00 H new ATOM 0 HD21 LEU A 56 50.874 -16.157 -2.537 1.00 0.00 H new ATOM 0 HD22 LEU A 56 51.736 -17.629 -3.043 1.00 0.00 H new ATOM 0 HD23 LEU A 56 52.648 -16.145 -2.679 1.00 0.00 H new ATOM 844 N GLU A 57 54.934 -18.152 -3.691 1.00 0.00 N ATOM 845 CA GLU A 57 55.749 -19.338 -3.454 1.00 0.00 C ATOM 846 C GLU A 57 54.923 -20.447 -2.809 1.00 0.00 C ATOM 847 O GLU A 57 53.709 -20.316 -2.643 1.00 0.00 O ATOM 848 CB GLU A 57 56.943 -18.992 -2.562 1.00 0.00 C ATOM 849 CG GLU A 57 56.548 -18.474 -1.190 1.00 0.00 C ATOM 850 CD GLU A 57 57.712 -17.850 -0.444 1.00 0.00 C ATOM 851 OE1 GLU A 57 58.652 -18.590 -0.086 1.00 0.00 O ATOM 852 OE2 GLU A 57 57.683 -16.622 -0.219 1.00 0.00 O ATOM 0 H GLU A 57 54.248 -17.958 -2.961 1.00 0.00 H new ATOM 0 HA GLU A 57 56.114 -19.695 -4.417 1.00 0.00 H new ATOM 0 HB2 GLU A 57 57.564 -19.879 -2.441 1.00 0.00 H new ATOM 0 HB3 GLU A 57 57.554 -18.241 -3.063 1.00 0.00 H new ATOM 0 HG2 GLU A 57 55.754 -17.736 -1.300 1.00 0.00 H new ATOM 0 HG3 GLU A 57 56.141 -19.295 -0.599 1.00 0.00 H new ATOM 859 N LEU A 58 55.588 -21.538 -2.448 1.00 0.00 N ATOM 860 CA LEU A 58 54.916 -22.671 -1.821 1.00 0.00 C ATOM 861 C LEU A 58 54.786 -22.463 -0.316 1.00 0.00 C ATOM 862 O LEU A 58 55.771 -22.201 0.372 1.00 0.00 O ATOM 863 CB LEU A 58 55.683 -23.964 -2.104 1.00 0.00 C ATOM 864 CG LEU A 58 56.167 -24.157 -3.542 1.00 0.00 C ATOM 865 CD1 LEU A 58 56.868 -25.498 -3.694 1.00 0.00 C ATOM 866 CD2 LEU A 58 55.002 -24.049 -4.515 1.00 0.00 C ATOM 0 H LEU A 58 56.592 -21.663 -2.578 1.00 0.00 H new ATOM 0 HA LEU A 58 53.915 -22.748 -2.246 1.00 0.00 H new ATOM 0 HB2 LEU A 58 56.549 -24.001 -1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 58 55.044 -24.807 -1.841 1.00 0.00 H new ATOM 0 HG LEU A 58 56.883 -23.368 -3.773 1.00 0.00 H new ATOM 0 HD11 LEU A 58 57.205 -25.618 -4.724 1.00 0.00 H new ATOM 0 HD12 LEU A 58 57.727 -25.538 -3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 58 56.175 -26.301 -3.444 1.00 0.00 H new ATOM 0 HD21 LEU A 58 55.364 -24.189 -5.533 1.00 0.00 H new ATOM 0 HD22 LEU A 58 54.263 -24.816 -4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 58 54.543 -23.064 -4.425 1.00 0.00 H new ATOM 878 N GLY A 59 53.562 -22.583 0.190 1.00 0.00 N ATOM 879 CA GLY A 59 53.325 -22.407 1.611 1.00 0.00 C ATOM 880 C GLY A 59 52.626 -21.099 1.924 1.00 0.00 C ATOM 881 O GLY A 59 51.917 -20.991 2.925 1.00 0.00 O ATOM 0 H GLY A 59 52.730 -22.799 -0.359 1.00 0.00 H new ATOM 0 HA2 GLY A 59 52.721 -23.236 1.981 1.00 0.00 H new ATOM 0 HA3 GLY A 59 54.276 -22.443 2.142 1.00 0.00 H new ATOM 885 N ASP A 60 52.826 -20.103 1.068 1.00 0.00 N ATOM 886 CA ASP A 60 52.209 -18.796 1.259 1.00 0.00 C ATOM 887 C ASP A 60 50.689 -18.912 1.298 1.00 0.00 C ATOM 888 O ASP A 60 50.122 -19.911 0.855 1.00 0.00 O ATOM 889 CB ASP A 60 52.631 -17.841 0.141 1.00 0.00 C ATOM 890 CG ASP A 60 53.716 -16.878 0.581 1.00 0.00 C ATOM 891 OD1 ASP A 60 54.836 -17.342 0.882 1.00 0.00 O ATOM 892 OD2 ASP A 60 53.446 -15.659 0.624 1.00 0.00 O ATOM 0 H ASP A 60 53.411 -20.176 0.235 1.00 0.00 H new ATOM 0 HA ASP A 60 52.549 -18.398 2.215 1.00 0.00 H new ATOM 0 HB2 ASP A 60 52.987 -18.419 -0.712 1.00 0.00 H new ATOM 0 HB3 ASP A 60 51.763 -17.276 -0.197 1.00 0.00 H new ATOM 897 N MET A 61 50.035 -17.885 1.831 1.00 0.00 N ATOM 898 CA MET A 61 48.580 -17.874 1.928 1.00 0.00 C ATOM 899 C MET A 61 47.966 -17.060 0.792 1.00 0.00 C ATOM 900 O MET A 61 48.617 -16.186 0.219 1.00 0.00 O ATOM 901 CB MET A 61 48.142 -17.300 3.276 1.00 0.00 C ATOM 902 CG MET A 61 48.243 -18.294 4.422 1.00 0.00 C ATOM 903 SD MET A 61 49.307 -17.711 5.755 1.00 0.00 S ATOM 904 CE MET A 61 50.828 -18.580 5.380 1.00 0.00 C ATOM 0 H MET A 61 50.489 -17.050 2.202 1.00 0.00 H new ATOM 0 HA MET A 61 48.227 -18.902 1.847 1.00 0.00 H new ATOM 0 HB2 MET A 61 48.755 -16.429 3.507 1.00 0.00 H new ATOM 0 HB3 MET A 61 47.112 -16.953 3.196 1.00 0.00 H new ATOM 0 HG2 MET A 61 47.246 -18.489 4.817 1.00 0.00 H new ATOM 0 HG3 MET A 61 48.627 -19.241 4.043 1.00 0.00 H new ATOM 0 HE1 MET A 61 51.586 -18.322 6.119 1.00 0.00 H new ATOM 0 HE2 MET A 61 50.648 -19.655 5.404 1.00 0.00 H new ATOM 0 HE3 MET A 61 51.176 -18.293 4.388 1.00 0.00 H new ATOM 914 N VAL A 62 46.710 -17.353 0.472 1.00 0.00 N ATOM 915 CA VAL A 62 46.009 -16.649 -0.595 1.00 0.00 C ATOM 916 C VAL A 62 44.514 -16.568 -0.310 1.00 0.00 C ATOM 917 O VAL A 62 43.983 -17.337 0.491 1.00 0.00 O ATOM 918 CB VAL A 62 46.224 -17.334 -1.957 1.00 0.00 C ATOM 919 CG1 VAL A 62 47.662 -17.157 -2.423 1.00 0.00 C ATOM 920 CG2 VAL A 62 45.860 -18.809 -1.874 1.00 0.00 C ATOM 0 H VAL A 62 46.157 -18.073 0.936 1.00 0.00 H new ATOM 0 HA VAL A 62 46.424 -15.642 -0.634 1.00 0.00 H new ATOM 0 HB VAL A 62 45.569 -16.862 -2.689 1.00 0.00 H new ATOM 0 HG11 VAL A 62 47.795 -17.648 -3.387 1.00 0.00 H new ATOM 0 HG12 VAL A 62 47.884 -16.095 -2.523 1.00 0.00 H new ATOM 0 HG13 VAL A 62 48.338 -17.602 -1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 62 46.018 -19.278 -2.845 1.00 0.00 H new ATOM 0 HG22 VAL A 62 46.488 -19.297 -1.129 1.00 0.00 H new ATOM 0 HG23 VAL A 62 44.813 -18.910 -1.588 1.00 0.00 H new ATOM 930 N GLU A 63 43.840 -15.632 -0.971 1.00 0.00 N ATOM 931 CA GLU A 63 42.405 -15.452 -0.788 1.00 0.00 C ATOM 932 C GLU A 63 41.643 -15.826 -2.056 1.00 0.00 C ATOM 933 O GLU A 63 41.996 -15.399 -3.155 1.00 0.00 O ATOM 934 CB GLU A 63 42.095 -14.003 -0.403 1.00 0.00 C ATOM 935 CG GLU A 63 40.868 -13.857 0.480 1.00 0.00 C ATOM 936 CD GLU A 63 41.152 -13.076 1.748 1.00 0.00 C ATOM 937 OE1 GLU A 63 41.204 -11.830 1.680 1.00 0.00 O ATOM 938 OE2 GLU A 63 41.321 -13.712 2.810 1.00 0.00 O ATOM 0 H GLU A 63 44.265 -14.987 -1.638 1.00 0.00 H new ATOM 0 HA GLU A 63 42.082 -16.112 0.017 1.00 0.00 H new ATOM 0 HB2 GLU A 63 42.957 -13.581 0.114 1.00 0.00 H new ATOM 0 HB3 GLU A 63 41.950 -13.418 -1.311 1.00 0.00 H new ATOM 0 HG2 GLU A 63 40.079 -13.357 -0.081 1.00 0.00 H new ATOM 0 HG3 GLU A 63 40.494 -14.847 0.743 1.00 0.00 H new ATOM 945 N TYR A 64 40.596 -16.628 -1.895 1.00 0.00 N ATOM 946 CA TYR A 64 39.786 -17.064 -3.026 1.00 0.00 C ATOM 947 C TYR A 64 38.372 -17.421 -2.577 1.00 0.00 C ATOM 948 O TYR A 64 38.038 -17.317 -1.397 1.00 0.00 O ATOM 949 CB TYR A 64 40.435 -18.267 -3.712 1.00 0.00 C ATOM 950 CG TYR A 64 40.341 -19.545 -2.910 1.00 0.00 C ATOM 951 CD1 TYR A 64 41.296 -19.858 -1.950 1.00 0.00 C ATOM 952 CD2 TYR A 64 39.296 -20.439 -3.110 1.00 0.00 C ATOM 953 CE1 TYR A 64 41.215 -21.025 -1.216 1.00 0.00 C ATOM 954 CE2 TYR A 64 39.206 -21.608 -2.379 1.00 0.00 C ATOM 955 CZ TYR A 64 40.168 -21.896 -1.433 1.00 0.00 C ATOM 956 OH TYR A 64 40.083 -23.059 -0.702 1.00 0.00 O ATOM 0 H TYR A 64 40.289 -16.989 -0.992 1.00 0.00 H new ATOM 0 HA TYR A 64 39.725 -16.239 -3.736 1.00 0.00 H new ATOM 0 HB2 TYR A 64 39.961 -18.421 -4.682 1.00 0.00 H new ATOM 0 HB3 TYR A 64 41.485 -18.044 -3.902 1.00 0.00 H new ATOM 0 HD1 TYR A 64 42.116 -19.177 -1.775 1.00 0.00 H new ATOM 0 HD2 TYR A 64 38.541 -20.216 -3.850 1.00 0.00 H new ATOM 0 HE1 TYR A 64 41.968 -21.254 -0.476 1.00 0.00 H new ATOM 0 HE2 TYR A 64 38.387 -22.292 -2.547 1.00 0.00 H new ATOM 0 HH TYR A 64 39.287 -23.560 -0.976 1.00 0.00 H new ATOM 966 N SER A 65 37.546 -17.845 -3.529 1.00 0.00 N ATOM 967 CA SER A 65 36.167 -18.216 -3.234 1.00 0.00 C ATOM 968 C SER A 65 35.747 -19.437 -4.046 1.00 0.00 C ATOM 969 O SER A 65 36.408 -19.810 -5.016 1.00 0.00 O ATOM 970 CB SER A 65 35.227 -17.045 -3.530 1.00 0.00 C ATOM 971 OG SER A 65 35.678 -16.299 -4.647 1.00 0.00 O ATOM 0 H SER A 65 37.808 -17.940 -4.510 1.00 0.00 H new ATOM 0 HA SER A 65 36.103 -18.466 -2.175 1.00 0.00 H new ATOM 0 HB2 SER A 65 34.222 -17.421 -3.722 1.00 0.00 H new ATOM 0 HB3 SER A 65 35.164 -16.396 -2.657 1.00 0.00 H new ATOM 0 HG SER A 65 35.060 -15.558 -4.817 1.00 0.00 H new ATOM 977 N LEU A 66 34.644 -20.057 -3.642 1.00 0.00 N ATOM 978 CA LEU A 66 34.134 -21.238 -4.331 1.00 0.00 C ATOM 979 C LEU A 66 32.637 -21.111 -4.595 1.00 0.00 C ATOM 980 O LEU A 66 31.827 -21.168 -3.670 1.00 0.00 O ATOM 981 CB LEU A 66 34.413 -22.495 -3.505 1.00 0.00 C ATOM 982 CG LEU A 66 35.884 -22.879 -3.344 1.00 0.00 C ATOM 983 CD1 LEU A 66 36.017 -24.143 -2.509 1.00 0.00 C ATOM 984 CD2 LEU A 66 36.540 -23.064 -4.705 1.00 0.00 C ATOM 0 H LEU A 66 34.085 -19.762 -2.841 1.00 0.00 H new ATOM 0 HA LEU A 66 34.647 -21.319 -5.289 1.00 0.00 H new ATOM 0 HB2 LEU A 66 33.984 -22.356 -2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 66 33.888 -23.332 -3.965 1.00 0.00 H new ATOM 0 HG LEU A 66 36.396 -22.069 -2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 66 37.071 -24.401 -2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 66 35.586 -23.974 -1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 66 35.490 -24.961 -3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 66 37.587 -23.337 -4.570 1.00 0.00 H new ATOM 0 HD22 LEU A 66 36.026 -23.855 -5.252 1.00 0.00 H new ATOM 0 HD23 LEU A 66 36.477 -22.133 -5.269 1.00 0.00 H new ATOM 1117 N SER A 75 36.704 -24.573 -9.142 1.00 0.00 N ATOM 1118 CA SER A 75 37.886 -23.741 -9.338 1.00 0.00 C ATOM 1119 C SER A 75 37.757 -22.427 -8.575 1.00 0.00 C ATOM 1120 O SER A 75 36.665 -22.041 -8.159 1.00 0.00 O ATOM 1121 CB SER A 75 38.097 -23.461 -10.827 1.00 0.00 C ATOM 1122 OG SER A 75 36.929 -23.759 -11.572 1.00 0.00 O ATOM 0 HA SER A 75 38.750 -24.282 -8.952 1.00 0.00 H new ATOM 0 HB2 SER A 75 38.366 -22.414 -10.969 1.00 0.00 H new ATOM 0 HB3 SER A 75 38.931 -24.057 -11.198 1.00 0.00 H new ATOM 0 HG SER A 75 36.288 -24.231 -11.000 1.00 0.00 H new ATOM 1128 N ALA A 76 38.882 -21.742 -8.394 1.00 0.00 N ATOM 1129 CA ALA A 76 38.897 -20.470 -7.682 1.00 0.00 C ATOM 1130 C ALA A 76 38.795 -19.298 -8.652 1.00 0.00 C ATOM 1131 O ALA A 76 39.555 -19.211 -9.616 1.00 0.00 O ATOM 1132 CB ALA A 76 40.157 -20.352 -6.838 1.00 0.00 C ATOM 0 H ALA A 76 39.795 -22.047 -8.731 1.00 0.00 H new ATOM 0 HA ALA A 76 38.029 -20.440 -7.024 1.00 0.00 H new ATOM 0 HB1 ALA A 76 40.155 -19.397 -6.312 1.00 0.00 H new ATOM 0 HB2 ALA A 76 40.187 -21.166 -6.113 1.00 0.00 H new ATOM 0 HB3 ALA A 76 41.034 -20.409 -7.483 1.00 0.00 H new ATOM 1138 N GLU A 77 37.850 -18.400 -8.390 1.00 0.00 N ATOM 1139 CA GLU A 77 37.649 -17.233 -9.242 1.00 0.00 C ATOM 1140 C GLU A 77 38.154 -15.966 -8.558 1.00 0.00 C ATOM 1141 O GLU A 77 37.856 -15.716 -7.390 1.00 0.00 O ATOM 1142 CB GLU A 77 36.168 -17.080 -9.594 1.00 0.00 C ATOM 1143 CG GLU A 77 35.266 -16.932 -8.380 1.00 0.00 C ATOM 1144 CD GLU A 77 34.640 -15.555 -8.284 1.00 0.00 C ATOM 1145 OE1 GLU A 77 35.355 -14.559 -8.522 1.00 0.00 O ATOM 1146 OE2 GLU A 77 33.433 -15.473 -7.971 1.00 0.00 O ATOM 0 H GLU A 77 37.212 -18.458 -7.596 1.00 0.00 H new ATOM 0 HA GLU A 77 38.220 -17.382 -10.159 1.00 0.00 H new ATOM 0 HB2 GLU A 77 36.044 -16.208 -10.237 1.00 0.00 H new ATOM 0 HB3 GLU A 77 35.848 -17.949 -10.170 1.00 0.00 H new ATOM 0 HG2 GLU A 77 34.478 -17.683 -8.424 1.00 0.00 H new ATOM 0 HG3 GLU A 77 35.843 -17.128 -7.477 1.00 0.00 H new ATOM 1153 N LYS A 78 38.921 -15.169 -9.294 1.00 0.00 N ATOM 1154 CA LYS A 78 39.469 -13.927 -8.761 1.00 0.00 C ATOM 1155 C LYS A 78 40.305 -14.193 -7.513 1.00 0.00 C ATOM 1156 O LYS A 78 39.876 -13.910 -6.395 1.00 0.00 O ATOM 1157 CB LYS A 78 38.339 -12.948 -8.433 1.00 0.00 C ATOM 1158 CG LYS A 78 37.638 -12.394 -9.661 1.00 0.00 C ATOM 1159 CD LYS A 78 36.952 -11.072 -9.363 1.00 0.00 C ATOM 1160 CE LYS A 78 35.744 -11.262 -8.458 1.00 0.00 C ATOM 1161 NZ LYS A 78 34.464 -11.079 -9.197 1.00 0.00 N ATOM 0 H LYS A 78 39.178 -15.361 -10.262 1.00 0.00 H new ATOM 0 HA LYS A 78 40.114 -13.487 -9.521 1.00 0.00 H new ATOM 0 HB2 LYS A 78 37.606 -13.451 -7.802 1.00 0.00 H new ATOM 0 HB3 LYS A 78 38.745 -12.120 -7.852 1.00 0.00 H new ATOM 0 HG2 LYS A 78 38.363 -12.256 -10.463 1.00 0.00 H new ATOM 0 HG3 LYS A 78 36.902 -13.115 -10.017 1.00 0.00 H new ATOM 0 HD2 LYS A 78 37.660 -10.392 -8.889 1.00 0.00 H new ATOM 0 HD3 LYS A 78 36.639 -10.605 -10.297 1.00 0.00 H new ATOM 0 HE2 LYS A 78 35.771 -12.260 -8.020 1.00 0.00 H new ATOM 0 HE3 LYS A 78 35.792 -10.551 -7.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 33.665 -11.217 -8.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 34.426 -10.118 -9.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 34.406 -11.774 -9.968 1.00 0.00 H new ATOM 1175 N VAL A 79 41.501 -14.736 -7.713 1.00 0.00 N ATOM 1176 CA VAL A 79 42.399 -15.037 -6.604 1.00 0.00 C ATOM 1177 C VAL A 79 43.377 -13.893 -6.362 1.00 0.00 C ATOM 1178 O VAL A 79 43.850 -13.258 -7.304 1.00 0.00 O ATOM 1179 CB VAL A 79 43.193 -16.331 -6.860 1.00 0.00 C ATOM 1180 CG1 VAL A 79 43.983 -16.727 -5.621 1.00 0.00 C ATOM 1181 CG2 VAL A 79 42.260 -17.453 -7.288 1.00 0.00 C ATOM 0 H VAL A 79 41.871 -14.977 -8.633 1.00 0.00 H new ATOM 0 HA VAL A 79 41.776 -15.171 -5.720 1.00 0.00 H new ATOM 0 HB VAL A 79 43.900 -16.149 -7.670 1.00 0.00 H new ATOM 0 HG11 VAL A 79 44.538 -17.644 -5.821 1.00 0.00 H new ATOM 0 HG12 VAL A 79 44.680 -15.930 -5.364 1.00 0.00 H new ATOM 0 HG13 VAL A 79 43.298 -16.892 -4.790 1.00 0.00 H new ATOM 0 HG21 VAL A 79 42.838 -18.360 -7.465 1.00 0.00 H new ATOM 0 HG22 VAL A 79 41.528 -17.637 -6.502 1.00 0.00 H new ATOM 0 HG23 VAL A 79 41.744 -17.167 -8.205 1.00 0.00 H new ATOM 1191 N ASN A 80 43.676 -13.635 -5.093 1.00 0.00 N ATOM 1192 CA ASN A 80 44.598 -12.566 -4.727 1.00 0.00 C ATOM 1193 C ASN A 80 45.348 -12.911 -3.444 1.00 0.00 C ATOM 1194 O ASN A 80 44.817 -13.587 -2.564 1.00 0.00 O ATOM 1195 CB ASN A 80 43.841 -11.249 -4.550 1.00 0.00 C ATOM 1196 CG ASN A 80 43.027 -11.217 -3.271 1.00 0.00 C ATOM 1197 OD1 ASN A 80 41.888 -11.685 -3.235 1.00 0.00 O ATOM 1198 ND2 ASN A 80 43.608 -10.663 -2.213 1.00 0.00 N ATOM 0 H ASN A 80 43.293 -14.151 -4.301 1.00 0.00 H new ATOM 0 HA ASN A 80 45.324 -12.454 -5.533 1.00 0.00 H new ATOM 0 HB2 ASN A 80 44.552 -10.422 -4.546 1.00 0.00 H new ATOM 0 HB3 ASN A 80 43.179 -11.096 -5.402 1.00 0.00 H new ATOM 0 HD21 ASN A 80 43.109 -10.613 -1.325 1.00 0.00 H new ATOM 0 HD22 ASN A 80 44.554 -10.288 -2.288 1.00 0.00 H new ATOM 1205 N LYS A 81 46.587 -12.440 -3.345 1.00 0.00 N ATOM 1206 CA LYS A 81 47.411 -12.695 -2.170 1.00 0.00 C ATOM 1207 C LYS A 81 46.923 -11.882 -0.975 1.00 0.00 C ATOM 1208 O LYS A 81 46.641 -10.689 -1.096 1.00 0.00 O ATOM 1209 CB LYS A 81 48.875 -12.359 -2.465 1.00 0.00 C ATOM 1210 CG LYS A 81 49.822 -13.526 -2.248 1.00 0.00 C ATOM 1211 CD LYS A 81 51.080 -13.093 -1.512 1.00 0.00 C ATOM 1212 CE LYS A 81 52.105 -12.497 -2.464 1.00 0.00 C ATOM 1213 NZ LYS A 81 53.300 -11.981 -1.740 1.00 0.00 N ATOM 0 H LYS A 81 47.042 -11.879 -4.065 1.00 0.00 H new ATOM 0 HA LYS A 81 47.330 -13.754 -1.924 1.00 0.00 H new ATOM 0 HB2 LYS A 81 48.960 -12.020 -3.497 1.00 0.00 H new ATOM 0 HB3 LYS A 81 49.184 -11.529 -1.830 1.00 0.00 H new ATOM 0 HG2 LYS A 81 49.316 -14.306 -1.678 1.00 0.00 H new ATOM 0 HG3 LYS A 81 50.093 -13.960 -3.211 1.00 0.00 H new ATOM 0 HD2 LYS A 81 50.822 -12.360 -0.748 1.00 0.00 H new ATOM 0 HD3 LYS A 81 51.515 -13.950 -0.997 1.00 0.00 H new ATOM 0 HE2 LYS A 81 52.415 -13.254 -3.184 1.00 0.00 H new ATOM 0 HE3 LYS A 81 51.646 -11.687 -3.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 53.975 -11.583 -2.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 53.008 -11.240 -1.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 53.753 -12.759 -1.219 1.00 0.00 H new ATOM 1227 N THR A 82 46.826 -12.534 0.179 1.00 0.00 N ATOM 1228 CA THR A 82 46.372 -11.871 1.396 1.00 0.00 C ATOM 1229 C THR A 82 47.442 -11.921 2.481 1.00 0.00 C ATOM 1230 O THR A 82 47.557 -11.004 3.294 1.00 0.00 O ATOM 1231 CB THR A 82 45.079 -12.512 1.935 1.00 0.00 C ATOM 1232 OG1 THR A 82 44.597 -11.769 3.061 1.00 0.00 O ATOM 1233 CG2 THR A 82 45.320 -13.958 2.341 1.00 0.00 C ATOM 0 H THR A 82 47.056 -13.521 0.297 1.00 0.00 H new ATOM 0 HA THR A 82 46.172 -10.832 1.135 1.00 0.00 H new ATOM 0 HB THR A 82 44.332 -12.494 1.141 1.00 0.00 H new ATOM 0 HG1 THR A 82 43.774 -12.182 3.397 1.00 0.00 H new ATOM 0 HG21 THR A 82 44.393 -14.389 2.718 1.00 0.00 H new ATOM 0 HG22 THR A 82 45.659 -14.527 1.476 1.00 0.00 H new ATOM 0 HG23 THR A 82 46.081 -13.995 3.120 1.00 0.00 H new