USER MOD reduce.3.24.130724 H: found=0, std=0, add=301, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 302 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 21 LYS NZ :NH3+ -158:sc= -0.0052 (180deg=-0.323) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 28 THR OG1 : rot 166:sc= 0.0116 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 39:sc= 0.0153 USER MOD Single : A 33 LYS NZ :NH3+ 140:sc= -0.297 (180deg=-2.62!) USER MOD Single : A 46 THR OG1 : rot 161:sc= -0.766 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 247 N GLU A 16 -8.837 19.640 -15.982 1.00 74.25 N ATOM 248 CA GLU A 16 -8.658 20.727 -16.937 1.00 40.41 C ATOM 249 C GLU A 16 -9.188 22.042 -16.371 1.00 22.54 C ATOM 250 O GLU A 16 -8.419 22.955 -16.071 1.00 51.43 O ATOM 251 CB GLU A 16 -9.369 20.403 -18.253 1.00 4.22 C ATOM 252 CG GLU A 16 -8.422 20.231 -19.429 1.00 75.02 C ATOM 253 CD GLU A 16 -8.224 21.515 -20.211 1.00 72.13 C ATOM 254 OE1 GLU A 16 -8.469 22.600 -19.644 1.00 21.23 O ATOM 255 OE2 GLU A 16 -7.824 21.434 -21.392 1.00 2.05 O ATOM 0 HA GLU A 16 -7.590 20.837 -17.127 1.00 40.41 H new ATOM 0 HB2 GLU A 16 -9.949 19.489 -18.128 1.00 4.22 H new ATOM 0 HB3 GLU A 16 -10.076 21.201 -18.480 1.00 4.22 H new ATOM 0 HG2 GLU A 16 -7.457 19.879 -19.065 1.00 75.02 H new ATOM 0 HG3 GLU A 16 -8.812 19.461 -20.095 1.00 75.02 H new ATOM 262 N ARG A 17 -10.506 22.128 -16.227 1.00 11.30 N ATOM 263 CA ARG A 17 -11.140 23.330 -15.698 1.00 44.45 C ATOM 264 C ARG A 17 -12.639 23.117 -15.511 1.00 41.31 C ATOM 265 O ARG A 17 -13.208 22.156 -16.028 1.00 74.15 O ATOM 266 CB ARG A 17 -10.895 24.515 -16.635 1.00 10.22 C ATOM 267 CG ARG A 17 -11.961 24.675 -17.706 1.00 71.34 C ATOM 268 CD ARG A 17 -12.086 23.422 -18.559 1.00 20.42 C ATOM 269 NE ARG A 17 -12.306 23.738 -19.967 1.00 74.45 N ATOM 270 CZ ARG A 17 -13.422 24.290 -20.431 1.00 31.11 C ATOM 271 NH1 ARG A 17 -14.413 24.586 -19.602 1.00 12.24 N ATOM 272 NH2 ARG A 17 -13.548 24.547 -21.727 1.00 2.55 N ATOM 0 H ARG A 17 -11.156 21.380 -16.469 1.00 11.30 H new ATOM 0 HA ARG A 17 -10.698 23.546 -14.726 1.00 44.45 H new ATOM 0 HB2 ARG A 17 -10.845 25.430 -16.045 1.00 10.22 H new ATOM 0 HB3 ARG A 17 -9.924 24.393 -17.116 1.00 10.22 H new ATOM 0 HG2 ARG A 17 -12.920 24.894 -17.237 1.00 71.34 H new ATOM 0 HG3 ARG A 17 -11.715 25.526 -18.341 1.00 71.34 H new ATOM 0 HD2 ARG A 17 -11.180 22.824 -18.459 1.00 20.42 H new ATOM 0 HD3 ARG A 17 -12.912 22.814 -18.191 1.00 20.42 H new ATOM 0 HE ARG A 17 -11.562 23.523 -20.631 1.00 74.45 H new ATOM 0 HH11 ARG A 17 -14.320 24.390 -18.605 1.00 12.24 H new ATOM 0 HH12 ARG A 17 -15.269 25.010 -19.961 1.00 12.24 H new ATOM 0 HH21 ARG A 17 -12.788 24.321 -22.368 1.00 2.55 H new ATOM 0 HH22 ARG A 17 -14.405 24.971 -22.082 1.00 2.55 H new ATOM 286 N ILE A 18 -13.271 24.020 -14.768 1.00 71.44 N ATOM 287 CA ILE A 18 -14.704 23.930 -14.514 1.00 5.43 C ATOM 288 C ILE A 18 -15.505 24.198 -15.783 1.00 33.11 C ATOM 289 O ILE A 18 -15.536 25.321 -16.286 1.00 2.22 O ATOM 290 CB ILE A 18 -15.144 24.924 -13.423 1.00 33.14 C ATOM 291 CG1 ILE A 18 -14.296 24.740 -12.162 1.00 53.33 C ATOM 292 CG2 ILE A 18 -16.621 24.741 -13.105 1.00 41.32 C ATOM 293 CD1 ILE A 18 -14.777 23.618 -11.269 1.00 2.21 C ATOM 0 H ILE A 18 -12.814 24.821 -14.332 1.00 71.44 H new ATOM 0 HA ILE A 18 -14.901 22.914 -14.171 1.00 5.43 H new ATOM 0 HB ILE A 18 -14.994 25.938 -13.794 1.00 33.14 H new ATOM 0 HG12 ILE A 18 -13.264 24.545 -12.453 1.00 53.33 H new ATOM 0 HG13 ILE A 18 -14.296 25.671 -11.595 1.00 53.33 H new ATOM 0 HG21 ILE A 18 -16.917 25.450 -12.332 1.00 41.32 H new ATOM 0 HG22 ILE A 18 -17.211 24.916 -14.004 1.00 41.32 H new ATOM 0 HG23 ILE A 18 -16.794 23.725 -12.750 1.00 41.32 H new ATOM 0 HD11 ILE A 18 -14.129 23.545 -10.395 1.00 2.21 H new ATOM 0 HD12 ILE A 18 -15.799 23.821 -10.948 1.00 2.21 H new ATOM 0 HD13 ILE A 18 -14.750 22.678 -11.820 1.00 2.21 H new ATOM 305 N VAL A 19 -16.156 23.158 -16.296 1.00 5.12 N ATOM 306 CA VAL A 19 -16.961 23.281 -17.505 1.00 62.21 C ATOM 307 C VAL A 19 -18.079 24.300 -17.319 1.00 74.24 C ATOM 308 O VAL A 19 -18.232 25.222 -18.120 1.00 41.32 O ATOM 309 CB VAL A 19 -17.576 21.928 -17.910 1.00 23.24 C ATOM 310 CG1 VAL A 19 -18.153 22.002 -19.315 1.00 44.11 C ATOM 311 CG2 VAL A 19 -16.538 20.820 -17.808 1.00 71.12 C ATOM 0 H VAL A 19 -16.141 22.221 -15.893 1.00 5.12 H new ATOM 0 HA VAL A 19 -16.293 23.619 -18.297 1.00 62.21 H new ATOM 0 HB VAL A 19 -18.389 21.698 -17.222 1.00 23.24 H new ATOM 0 HG11 VAL A 19 -18.583 21.037 -19.583 1.00 44.11 H new ATOM 0 HG12 VAL A 19 -18.929 22.767 -19.350 1.00 44.11 H new ATOM 0 HG13 VAL A 19 -17.362 22.255 -20.020 1.00 44.11 H new ATOM 0 HG21 VAL A 19 -16.989 19.871 -18.098 1.00 71.12 H new ATOM 0 HG22 VAL A 19 -15.702 21.042 -18.472 1.00 71.12 H new ATOM 0 HG23 VAL A 19 -16.178 20.752 -16.781 1.00 71.12 H new ATOM 321 N ARG A 20 -18.860 24.127 -16.257 1.00 64.24 N ATOM 322 CA ARG A 20 -19.965 25.031 -15.966 1.00 55.24 C ATOM 323 C ARG A 20 -20.485 24.816 -14.548 1.00 4.43 C ATOM 324 O ARG A 20 -19.891 24.077 -13.763 1.00 5.03 O ATOM 325 CB ARG A 20 -21.099 24.825 -16.973 1.00 32.15 C ATOM 326 CG ARG A 20 -21.694 23.426 -16.942 1.00 2.42 C ATOM 327 CD ARG A 20 -21.202 22.586 -18.110 1.00 24.04 C ATOM 328 NE ARG A 20 -22.159 22.567 -19.212 1.00 42.34 N ATOM 329 CZ ARG A 20 -23.354 21.991 -19.139 1.00 5.31 C ATOM 330 NH1 ARG A 20 -23.736 21.390 -18.021 1.00 4.24 N ATOM 331 NH2 ARG A 20 -24.169 22.016 -20.185 1.00 50.23 N ATOM 0 H ARG A 20 -18.747 23.369 -15.584 1.00 64.24 H new ATOM 0 HA ARG A 20 -19.596 26.053 -16.048 1.00 55.24 H new ATOM 0 HB2 ARG A 20 -21.887 25.551 -16.773 1.00 32.15 H new ATOM 0 HB3 ARG A 20 -20.725 25.029 -17.976 1.00 32.15 H new ATOM 0 HG2 ARG A 20 -21.430 22.938 -16.004 1.00 2.42 H new ATOM 0 HG3 ARG A 20 -22.782 23.491 -16.972 1.00 2.42 H new ATOM 0 HD2 ARG A 20 -20.249 22.980 -18.464 1.00 24.04 H new ATOM 0 HD3 ARG A 20 -21.019 21.566 -17.771 1.00 24.04 H new ATOM 0 HE ARG A 20 -21.896 23.021 -20.087 1.00 42.34 H new ATOM 0 HH11 ARG A 20 -23.112 21.369 -17.214 1.00 4.24 H new ATOM 0 HH12 ARG A 20 -24.654 20.948 -17.967 1.00 4.24 H new ATOM 0 HH21 ARG A 20 -23.879 22.478 -21.047 1.00 50.23 H new ATOM 0 HH22 ARG A 20 -25.086 21.573 -20.128 1.00 50.23 H new ATOM 345 N LYS A 21 -21.597 25.468 -14.225 1.00 43.03 N ATOM 346 CA LYS A 21 -22.198 25.349 -12.902 1.00 65.11 C ATOM 347 C LYS A 21 -23.695 25.637 -12.956 1.00 65.44 C ATOM 348 O LYS A 21 -24.180 26.282 -13.886 1.00 31.22 O ATOM 349 CB LYS A 21 -21.518 26.309 -11.923 1.00 32.54 C ATOM 350 CG LYS A 21 -21.813 27.772 -12.201 1.00 55.14 C ATOM 351 CD LYS A 21 -21.424 28.653 -11.027 1.00 4.35 C ATOM 352 CE LYS A 21 -22.460 29.738 -10.776 1.00 3.25 C ATOM 353 NZ LYS A 21 -22.779 30.498 -12.016 1.00 22.01 N ATOM 0 H LYS A 21 -22.101 26.085 -14.862 1.00 43.03 H new ATOM 0 HA LYS A 21 -22.056 24.325 -12.556 1.00 65.11 H new ATOM 0 HB2 LYS A 21 -21.839 26.069 -10.910 1.00 32.54 H new ATOM 0 HB3 LYS A 21 -20.440 26.151 -11.962 1.00 32.54 H new ATOM 0 HG2 LYS A 21 -21.271 28.090 -13.091 1.00 55.14 H new ATOM 0 HG3 LYS A 21 -22.875 27.896 -12.414 1.00 55.14 H new ATOM 0 HD2 LYS A 21 -21.313 28.040 -10.132 1.00 4.35 H new ATOM 0 HD3 LYS A 21 -20.455 29.112 -11.221 1.00 4.35 H new ATOM 0 HE2 LYS A 21 -23.371 29.286 -10.382 1.00 3.25 H new ATOM 0 HE3 LYS A 21 -22.090 30.424 -10.015 1.00 3.25 H new ATOM 0 HZ1 LYS A 21 -23.174 31.426 -11.762 1.00 22.01 H new ATOM 0 HZ2 LYS A 21 -21.912 30.631 -12.574 1.00 22.01 H new ATOM 0 HZ3 LYS A 21 -23.475 29.968 -12.579 1.00 22.01 H new ATOM 367 N LYS A 22 -24.422 25.155 -11.954 1.00 4.32 N ATOM 368 CA LYS A 22 -25.863 25.363 -11.885 1.00 72.31 C ATOM 369 C LYS A 22 -26.414 24.912 -10.536 1.00 71.31 C ATOM 370 O LYS A 22 -25.936 23.937 -9.955 1.00 32.03 O ATOM 371 CB LYS A 22 -26.563 24.602 -13.014 1.00 10.22 C ATOM 372 CG LYS A 22 -26.623 23.101 -12.790 1.00 2.10 C ATOM 373 CD LYS A 22 -28.037 22.639 -12.483 1.00 33.05 C ATOM 374 CE LYS A 22 -28.631 21.853 -13.641 1.00 51.04 C ATOM 375 NZ LYS A 22 -30.116 21.774 -13.555 1.00 43.11 N ATOM 0 H LYS A 22 -24.036 24.617 -11.178 1.00 4.32 H new ATOM 0 HA LYS A 22 -26.057 26.430 -11.999 1.00 72.31 H new ATOM 0 HB2 LYS A 22 -27.577 24.985 -13.125 1.00 10.22 H new ATOM 0 HB3 LYS A 22 -26.043 24.801 -13.951 1.00 10.22 H new ATOM 0 HG2 LYS A 22 -26.255 22.585 -13.677 1.00 2.10 H new ATOM 0 HG3 LYS A 22 -25.963 22.829 -11.966 1.00 2.10 H new ATOM 0 HD2 LYS A 22 -28.032 22.019 -11.586 1.00 33.05 H new ATOM 0 HD3 LYS A 22 -28.665 23.504 -12.269 1.00 33.05 H new ATOM 0 HE2 LYS A 22 -28.346 22.323 -14.582 1.00 51.04 H new ATOM 0 HE3 LYS A 22 -28.214 20.846 -13.648 1.00 51.04 H new ATOM 0 HZ1 LYS A 22 -30.482 21.230 -14.362 1.00 43.11 H new ATOM 0 HZ2 LYS A 22 -30.388 21.303 -12.669 1.00 43.11 H new ATOM 0 HZ3 LYS A 22 -30.516 22.734 -13.574 1.00 43.11 H new ATOM 389 N ILE A 23 -27.422 25.625 -10.045 1.00 45.40 N ATOM 390 CA ILE A 23 -28.038 25.296 -8.766 1.00 53.01 C ATOM 391 C ILE A 23 -29.438 24.724 -8.962 1.00 14.51 C ATOM 392 O ILE A 23 -30.128 25.059 -9.925 1.00 52.11 O ATOM 393 CB ILE A 23 -28.123 26.530 -7.848 1.00 33.52 C ATOM 394 CG1 ILE A 23 -29.346 27.376 -8.207 1.00 12.23 C ATOM 395 CG2 ILE A 23 -26.851 27.356 -7.952 1.00 45.44 C ATOM 396 CD1 ILE A 23 -30.568 27.055 -7.375 1.00 55.15 C ATOM 0 H ILE A 23 -27.829 26.434 -10.514 1.00 45.40 H new ATOM 0 HA ILE A 23 -27.404 24.546 -8.294 1.00 53.01 H new ATOM 0 HB ILE A 23 -28.229 26.192 -6.817 1.00 33.52 H new ATOM 0 HG12 ILE A 23 -29.098 28.430 -8.082 1.00 12.23 H new ATOM 0 HG13 ILE A 23 -29.584 27.227 -9.260 1.00 12.23 H new ATOM 0 HG21 ILE A 23 -26.927 28.224 -7.298 1.00 45.44 H new ATOM 0 HG22 ILE A 23 -25.997 26.749 -7.652 1.00 45.44 H new ATOM 0 HG23 ILE A 23 -26.716 27.688 -8.981 1.00 45.44 H new ATOM 0 HD11 ILE A 23 -31.396 27.693 -7.684 1.00 55.15 H new ATOM 0 HD12 ILE A 23 -30.842 26.010 -7.518 1.00 55.15 H new ATOM 0 HD13 ILE A 23 -30.348 27.231 -6.322 1.00 55.15 H new ATOM 408 N VAL A 24 -29.853 23.861 -8.040 1.00 74.04 N ATOM 409 CA VAL A 24 -31.173 23.245 -8.109 1.00 61.45 C ATOM 410 C VAL A 24 -31.839 23.218 -6.739 1.00 34.14 C ATOM 411 O VAL A 24 -31.288 22.678 -5.779 1.00 34.03 O ATOM 412 CB VAL A 24 -31.093 21.807 -8.657 1.00 50.33 C ATOM 413 CG1 VAL A 24 -32.297 21.503 -9.535 1.00 71.34 C ATOM 414 CG2 VAL A 24 -29.797 21.602 -9.426 1.00 44.02 C ATOM 0 H VAL A 24 -29.294 23.573 -7.237 1.00 74.04 H new ATOM 0 HA VAL A 24 -31.771 23.853 -8.788 1.00 61.45 H new ATOM 0 HB VAL A 24 -31.103 21.114 -7.815 1.00 50.33 H new ATOM 0 HG11 VAL A 24 -32.223 20.483 -9.913 1.00 71.34 H new ATOM 0 HG12 VAL A 24 -33.210 21.608 -8.949 1.00 71.34 H new ATOM 0 HG13 VAL A 24 -32.321 22.200 -10.373 1.00 71.34 H new ATOM 0 HG21 VAL A 24 -29.757 20.581 -9.806 1.00 44.02 H new ATOM 0 HG22 VAL A 24 -29.755 22.302 -10.261 1.00 44.02 H new ATOM 0 HG23 VAL A 24 -28.949 21.776 -8.763 1.00 44.02 H new ATOM 424 N HIS A 25 -33.030 23.804 -6.654 1.00 5.13 N ATOM 425 CA HIS A 25 -33.773 23.847 -5.400 1.00 20.34 C ATOM 426 C HIS A 25 -32.940 24.491 -4.296 1.00 1.23 C ATOM 427 O HIS A 25 -33.167 24.249 -3.111 1.00 60.22 O ATOM 428 CB HIS A 25 -34.191 22.437 -4.982 1.00 21.42 C ATOM 429 CG HIS A 25 -35.503 22.390 -4.261 1.00 21.41 C ATOM 430 ND1 HIS A 25 -35.611 22.472 -2.889 1.00 11.23 N ATOM 431 CD2 HIS A 25 -36.767 22.269 -4.730 1.00 1.31 C ATOM 432 CE1 HIS A 25 -36.885 22.403 -2.545 1.00 3.13 C ATOM 433 NE2 HIS A 25 -37.607 22.280 -3.644 1.00 10.23 N ATOM 0 H HIS A 25 -33.500 24.255 -7.439 1.00 5.13 H new ATOM 0 HA HIS A 25 -34.666 24.452 -5.557 1.00 20.34 H new ATOM 0 HB2 HIS A 25 -34.251 21.807 -5.869 1.00 21.42 H new ATOM 0 HB3 HIS A 25 -33.418 22.013 -4.341 1.00 21.42 H new ATOM 0 HD2 HIS A 25 -37.060 22.180 -5.766 1.00 1.31 H new ATOM 0 HE1 HIS A 25 -37.270 22.441 -1.537 1.00 3.13 H new ATOM 0 HE2 HIS A 25 -38.624 22.205 -3.680 1.00 10.23 H new ATOM 441 N GLY A 26 -31.973 25.313 -4.693 1.00 53.25 N ATOM 442 CA GLY A 26 -31.121 25.979 -3.726 1.00 23.30 C ATOM 443 C GLY A 26 -29.833 25.221 -3.470 1.00 32.23 C ATOM 444 O GLY A 26 -29.136 25.481 -2.490 1.00 14.31 O ATOM 0 H GLY A 26 -31.765 25.529 -5.668 1.00 53.25 H new ATOM 0 HA2 GLY A 26 -30.884 26.981 -4.084 1.00 23.30 H new ATOM 0 HA3 GLY A 26 -31.663 26.095 -2.788 1.00 23.30 H new ATOM 448 N ASN A 27 -29.517 24.279 -4.352 1.00 72.43 N ATOM 449 CA ASN A 27 -28.306 23.479 -4.215 1.00 64.55 C ATOM 450 C ASN A 27 -27.363 23.713 -5.392 1.00 72.22 C ATOM 451 O ASN A 27 -27.604 23.232 -6.500 1.00 43.55 O ATOM 452 CB ASN A 27 -28.659 21.993 -4.118 1.00 63.03 C ATOM 453 CG ASN A 27 -29.561 21.689 -2.938 1.00 53.31 C ATOM 454 OD1 ASN A 27 -29.327 22.162 -1.826 1.00 33.23 O ATOM 455 ND2 ASN A 27 -30.600 20.896 -3.176 1.00 43.43 N ATOM 0 H ASN A 27 -30.083 24.051 -5.169 1.00 72.43 H new ATOM 0 HA ASN A 27 -27.800 23.786 -3.300 1.00 64.55 H new ATOM 0 HB2 ASN A 27 -29.151 21.678 -5.038 1.00 63.03 H new ATOM 0 HB3 ASN A 27 -27.742 21.410 -4.031 1.00 63.03 H new ATOM 0 HD21 ASN A 27 -31.242 20.657 -2.421 1.00 43.43 H new ATOM 0 HD22 ASN A 27 -30.755 20.527 -4.114 1.00 43.43 H new ATOM 462 N THR A 28 -26.288 24.454 -5.144 1.00 10.30 N ATOM 463 CA THR A 28 -25.309 24.753 -6.182 1.00 14.22 C ATOM 464 C THR A 28 -24.566 23.495 -6.615 1.00 4.03 C ATOM 465 O THR A 28 -24.293 22.613 -5.801 1.00 24.31 O ATOM 466 CB THR A 28 -24.287 25.802 -5.705 1.00 20.34 C ATOM 467 OG1 THR A 28 -24.926 26.754 -4.846 1.00 64.44 O ATOM 468 CG2 THR A 28 -23.657 26.521 -6.888 1.00 21.21 C ATOM 0 H THR A 28 -26.073 24.858 -4.233 1.00 10.30 H new ATOM 0 HA THR A 28 -25.861 25.156 -7.031 1.00 14.22 H new ATOM 0 HB THR A 28 -23.501 25.286 -5.153 1.00 20.34 H new ATOM 0 HG1 THR A 28 -24.245 27.275 -4.371 1.00 64.44 H new ATOM 0 HG21 THR A 28 -22.939 27.257 -6.526 1.00 21.21 H new ATOM 0 HG22 THR A 28 -23.146 25.798 -7.524 1.00 21.21 H new ATOM 0 HG23 THR A 28 -24.434 27.025 -7.463 1.00 21.21 H new ATOM 476 N SER A 29 -24.239 23.419 -7.901 1.00 54.11 N ATOM 477 CA SER A 29 -23.529 22.266 -8.443 1.00 12.52 C ATOM 478 C SER A 29 -22.536 22.697 -9.518 1.00 70.31 C ATOM 479 O SER A 29 -22.896 23.389 -10.470 1.00 51.51 O ATOM 480 CB SER A 29 -24.521 21.256 -9.023 1.00 42.32 C ATOM 481 OG SER A 29 -25.437 20.816 -8.036 1.00 12.31 O ATOM 0 H SER A 29 -24.454 24.142 -8.587 1.00 54.11 H new ATOM 0 HA SER A 29 -22.976 21.795 -7.630 1.00 12.52 H new ATOM 0 HB2 SER A 29 -25.065 21.710 -9.851 1.00 42.32 H new ATOM 0 HB3 SER A 29 -23.979 20.401 -9.428 1.00 42.32 H new ATOM 0 HG SER A 29 -26.061 20.173 -8.432 1.00 12.31 H new ATOM 487 N TYR A 30 -21.285 22.281 -9.359 1.00 24.13 N ATOM 488 CA TYR A 30 -20.238 22.624 -10.314 1.00 4.44 C ATOM 489 C TYR A 30 -19.889 21.428 -11.193 1.00 62.14 C ATOM 490 O TYR A 30 -19.403 20.405 -10.708 1.00 13.33 O ATOM 491 CB TYR A 30 -18.988 23.113 -9.579 1.00 31.44 C ATOM 492 CG TYR A 30 -19.058 24.565 -9.163 1.00 75.25 C ATOM 493 CD1 TYR A 30 -20.149 25.053 -8.455 1.00 10.42 C ATOM 494 CD2 TYR A 30 -18.033 25.448 -9.479 1.00 54.33 C ATOM 495 CE1 TYR A 30 -20.218 26.380 -8.074 1.00 64.43 C ATOM 496 CE2 TYR A 30 -18.093 26.776 -9.102 1.00 21.24 C ATOM 497 CZ TYR A 30 -19.187 27.237 -8.400 1.00 32.32 C ATOM 498 OH TYR A 30 -19.251 28.558 -8.021 1.00 51.23 O ATOM 0 H TYR A 30 -20.971 21.706 -8.578 1.00 24.13 H new ATOM 0 HA TYR A 30 -20.612 23.424 -10.953 1.00 4.44 H new ATOM 0 HB2 TYR A 30 -18.834 22.497 -8.693 1.00 31.44 H new ATOM 0 HB3 TYR A 30 -18.120 22.970 -10.222 1.00 31.44 H new ATOM 0 HD1 TYR A 30 -20.957 24.384 -8.198 1.00 10.42 H new ATOM 0 HD2 TYR A 30 -17.175 25.090 -10.029 1.00 54.33 H new ATOM 0 HE1 TYR A 30 -21.074 26.744 -7.525 1.00 64.43 H new ATOM 0 HE2 TYR A 30 -17.288 27.449 -9.356 1.00 21.24 H new ATOM 0 HH TYR A 30 -19.643 28.623 -7.125 1.00 51.23 H new ATOM 508 N LEU A 31 -20.139 21.563 -12.491 1.00 50.30 N ATOM 509 CA LEU A 31 -19.851 20.495 -13.441 1.00 74.44 C ATOM 510 C LEU A 31 -18.460 20.662 -14.045 1.00 15.04 C ATOM 511 O LEU A 31 -18.245 21.512 -14.909 1.00 12.03 O ATOM 512 CB LEU A 31 -20.903 20.477 -14.552 1.00 62.53 C ATOM 513 CG LEU A 31 -20.771 19.355 -15.583 1.00 60.20 C ATOM 514 CD1 LEU A 31 -20.466 18.032 -14.897 1.00 13.33 C ATOM 515 CD2 LEU A 31 -22.039 19.245 -16.417 1.00 50.21 C ATOM 0 H LEU A 31 -20.541 22.402 -12.909 1.00 50.30 H new ATOM 0 HA LEU A 31 -19.882 19.547 -12.904 1.00 74.44 H new ATOM 0 HB2 LEU A 31 -21.888 20.406 -14.091 1.00 62.53 H new ATOM 0 HB3 LEU A 31 -20.865 21.432 -15.077 1.00 62.53 H new ATOM 0 HG LEU A 31 -19.942 19.595 -16.248 1.00 60.20 H new ATOM 0 HD11 LEU A 31 -20.376 17.246 -15.647 1.00 13.33 H new ATOM 0 HD12 LEU A 31 -19.530 18.116 -14.345 1.00 13.33 H new ATOM 0 HD13 LEU A 31 -21.273 17.785 -14.208 1.00 13.33 H new ATOM 0 HD21 LEU A 31 -21.927 18.442 -17.145 1.00 50.21 H new ATOM 0 HD22 LEU A 31 -22.886 19.029 -15.765 1.00 50.21 H new ATOM 0 HD23 LEU A 31 -22.214 20.186 -16.939 1.00 50.21 H new ATOM 527 N VAL A 32 -17.519 19.844 -13.585 1.00 31.04 N ATOM 528 CA VAL A 32 -16.149 19.899 -14.081 1.00 33.10 C ATOM 529 C VAL A 32 -15.820 18.671 -14.922 1.00 61.03 C ATOM 530 O VAL A 32 -16.314 17.574 -14.660 1.00 25.00 O ATOM 531 CB VAL A 32 -15.137 20.002 -12.925 1.00 20.04 C ATOM 532 CG1 VAL A 32 -15.110 18.710 -12.122 1.00 45.11 C ATOM 533 CG2 VAL A 32 -13.752 20.338 -13.458 1.00 33.34 C ATOM 0 H VAL A 32 -17.680 19.135 -12.869 1.00 31.04 H new ATOM 0 HA VAL A 32 -16.072 20.792 -14.701 1.00 33.10 H new ATOM 0 HB VAL A 32 -15.451 20.807 -12.261 1.00 20.04 H new ATOM 0 HG11 VAL A 32 -14.389 18.802 -11.310 1.00 45.11 H new ATOM 0 HG12 VAL A 32 -16.100 18.518 -11.709 1.00 45.11 H new ATOM 0 HG13 VAL A 32 -14.821 17.884 -12.772 1.00 45.11 H new ATOM 0 HG21 VAL A 32 -13.049 20.407 -12.628 1.00 33.34 H new ATOM 0 HG22 VAL A 32 -13.427 19.556 -14.144 1.00 33.34 H new ATOM 0 HG23 VAL A 32 -13.786 21.292 -13.984 1.00 33.34 H new ATOM 543 N LYS A 33 -14.982 18.862 -15.935 1.00 44.23 N ATOM 544 CA LYS A 33 -14.583 17.771 -16.816 1.00 33.41 C ATOM 545 C LYS A 33 -13.319 17.090 -16.301 1.00 71.11 C ATOM 546 O LYS A 33 -12.891 17.328 -15.172 1.00 30.13 O ATOM 547 CB LYS A 33 -14.352 18.292 -18.236 1.00 72.11 C ATOM 548 CG LYS A 33 -13.294 19.378 -18.321 1.00 11.34 C ATOM 549 CD LYS A 33 -13.601 20.370 -19.430 1.00 45.12 C ATOM 550 CE LYS A 33 -12.393 20.593 -20.327 1.00 42.53 C ATOM 551 NZ LYS A 33 -12.756 21.320 -21.576 1.00 22.24 N ATOM 0 H LYS A 33 -14.565 19.764 -16.167 1.00 44.23 H new ATOM 0 HA LYS A 33 -15.389 17.038 -16.832 1.00 33.41 H new ATOM 0 HB2 LYS A 33 -14.059 17.460 -18.876 1.00 72.11 H new ATOM 0 HB3 LYS A 33 -15.292 18.680 -18.629 1.00 72.11 H new ATOM 0 HG2 LYS A 33 -13.233 19.904 -17.368 1.00 11.34 H new ATOM 0 HG3 LYS A 33 -12.319 18.924 -18.497 1.00 11.34 H new ATOM 0 HD2 LYS A 33 -14.436 20.003 -20.027 1.00 45.12 H new ATOM 0 HD3 LYS A 33 -13.913 21.319 -18.995 1.00 45.12 H new ATOM 0 HE2 LYS A 33 -11.637 21.160 -19.784 1.00 42.53 H new ATOM 0 HE3 LYS A 33 -11.948 19.631 -20.583 1.00 42.53 H new ATOM 0 HZ1 LYS A 33 -12.013 22.011 -21.804 1.00 22.24 H new ATOM 0 HZ2 LYS A 33 -12.850 20.641 -22.358 1.00 22.24 H new ATOM 0 HZ3 LYS A 33 -13.659 21.817 -21.439 1.00 22.24 H new ATOM 565 N TRP A 34 -12.726 16.244 -17.136 1.00 52.41 N ATOM 566 CA TRP A 34 -11.510 15.531 -16.765 1.00 24.41 C ATOM 567 C TRP A 34 -10.492 15.563 -17.900 1.00 2.04 C ATOM 568 O TRP A 34 -10.449 14.660 -18.735 1.00 20.41 O ATOM 569 CB TRP A 34 -11.836 14.082 -16.397 1.00 3.31 C ATOM 570 CG TRP A 34 -13.210 13.910 -15.823 1.00 44.10 C ATOM 571 CD1 TRP A 34 -13.701 14.485 -14.686 1.00 24.13 C ATOM 572 CD2 TRP A 34 -14.268 13.108 -16.359 1.00 24.14 C ATOM 573 NE1 TRP A 34 -15.000 14.088 -14.482 1.00 13.21 N ATOM 574 CE2 TRP A 34 -15.372 13.244 -15.495 1.00 2.04 C ATOM 575 CE3 TRP A 34 -14.390 12.290 -17.485 1.00 35.43 C ATOM 576 CZ2 TRP A 34 -16.580 12.591 -15.723 1.00 11.01 C ATOM 577 CZ3 TRP A 34 -15.590 11.642 -17.710 1.00 33.13 C ATOM 578 CH2 TRP A 34 -16.672 11.796 -16.833 1.00 14.11 C ATOM 0 H TRP A 34 -13.068 16.035 -18.074 1.00 52.41 H new ATOM 0 HA TRP A 34 -11.076 16.030 -15.899 1.00 24.41 H new ATOM 0 HB2 TRP A 34 -11.741 13.459 -17.286 1.00 3.31 H new ATOM 0 HB3 TRP A 34 -11.101 13.724 -15.676 1.00 3.31 H new ATOM 0 HD1 TRP A 34 -13.149 15.154 -14.042 1.00 24.13 H new ATOM 0 HE1 TRP A 34 -15.592 14.375 -13.702 1.00 13.21 H new ATOM 0 HE3 TRP A 34 -13.562 12.166 -18.167 1.00 35.43 H new ATOM 0 HZ2 TRP A 34 -17.415 12.708 -15.048 1.00 11.01 H new ATOM 0 HZ3 TRP A 34 -15.696 11.006 -18.577 1.00 33.13 H new ATOM 0 HH2 TRP A 34 -17.597 11.277 -17.037 1.00 14.11 H new ATOM 754 N GLU A 45 -20.178 18.293 -9.098 1.00 54.31 N ATOM 755 CA GLU A 45 -19.764 18.352 -7.701 1.00 51.32 C ATOM 756 C GLU A 45 -20.265 19.633 -7.039 1.00 24.20 C ATOM 757 O GLU A 45 -20.013 20.736 -7.524 1.00 41.42 O ATOM 758 CB GLU A 45 -18.240 18.272 -7.594 1.00 61.04 C ATOM 759 CG GLU A 45 -17.681 16.891 -7.894 1.00 43.42 C ATOM 760 CD GLU A 45 -17.195 16.176 -6.649 1.00 30.42 C ATOM 761 OE1 GLU A 45 -16.149 16.581 -6.101 1.00 21.23 O ATOM 762 OE2 GLU A 45 -17.862 15.210 -6.222 1.00 72.32 O ATOM 0 HA GLU A 45 -20.203 17.500 -7.182 1.00 51.32 H new ATOM 0 HB2 GLU A 45 -17.797 18.992 -8.283 1.00 61.04 H new ATOM 0 HB3 GLU A 45 -17.939 18.566 -6.589 1.00 61.04 H new ATOM 0 HG2 GLU A 45 -18.450 16.289 -8.377 1.00 43.42 H new ATOM 0 HG3 GLU A 45 -16.857 16.982 -8.601 1.00 43.42 H new ATOM 769 N THR A 46 -20.976 19.478 -5.927 1.00 21.25 N ATOM 770 CA THR A 46 -21.514 20.620 -5.198 1.00 23.31 C ATOM 771 C THR A 46 -20.486 21.741 -5.097 1.00 10.00 C ATOM 772 O THR A 46 -19.281 21.492 -5.095 1.00 70.15 O ATOM 773 CB THR A 46 -21.962 20.220 -3.779 1.00 51.44 C ATOM 774 OG1 THR A 46 -21.285 19.027 -3.369 1.00 44.41 O ATOM 775 CG2 THR A 46 -23.466 19.998 -3.730 1.00 11.13 C ATOM 0 H THR A 46 -21.193 18.572 -5.511 1.00 21.25 H new ATOM 0 HA THR A 46 -22.380 20.974 -5.758 1.00 23.31 H new ATOM 0 HB THR A 46 -21.708 21.033 -3.099 1.00 51.44 H new ATOM 0 HG1 THR A 46 -21.328 18.945 -2.393 1.00 44.41 H new ATOM 0 HG21 THR A 46 -23.759 19.717 -2.719 1.00 11.13 H new ATOM 0 HG22 THR A 46 -23.979 20.917 -4.014 1.00 11.13 H new ATOM 0 HG23 THR A 46 -23.739 19.201 -4.422 1.00 11.13 H new ATOM 783 N GLU A 47 -20.971 22.976 -5.012 1.00 43.00 N ATOM 784 CA GLU A 47 -20.092 24.135 -4.911 1.00 12.42 C ATOM 785 C GLU A 47 -19.195 24.032 -3.681 1.00 2.32 C ATOM 786 O GLU A 47 -18.128 24.645 -3.624 1.00 74.22 O ATOM 787 CB GLU A 47 -20.916 25.423 -4.848 1.00 41.41 C ATOM 788 CG GLU A 47 -20.135 26.621 -4.333 1.00 71.22 C ATOM 789 CD GLU A 47 -20.953 27.898 -4.342 1.00 23.25 C ATOM 790 OE1 GLU A 47 -22.032 27.914 -3.714 1.00 55.21 O ATOM 791 OE2 GLU A 47 -20.514 28.880 -4.975 1.00 44.11 O ATOM 0 H GLU A 47 -21.966 23.199 -5.011 1.00 43.00 H new ATOM 0 HA GLU A 47 -19.460 24.159 -5.799 1.00 12.42 H new ATOM 0 HB2 GLU A 47 -21.297 25.649 -5.844 1.00 41.41 H new ATOM 0 HB3 GLU A 47 -21.781 25.260 -4.205 1.00 41.41 H new ATOM 0 HG2 GLU A 47 -19.795 26.419 -3.317 1.00 71.22 H new ATOM 0 HG3 GLU A 47 -19.244 26.760 -4.946 1.00 71.22 H new ATOM 798 N ASP A 48 -19.635 23.254 -2.698 1.00 51.04 N ATOM 799 CA ASP A 48 -18.873 23.069 -1.469 1.00 44.51 C ATOM 800 C ASP A 48 -18.030 21.799 -1.537 1.00 54.45 C ATOM 801 O ASP A 48 -17.304 21.473 -0.599 1.00 4.32 O ATOM 802 CB ASP A 48 -19.813 23.008 -0.265 1.00 12.34 C ATOM 803 CG ASP A 48 -19.683 24.222 0.634 1.00 3.22 C ATOM 804 OD1 ASP A 48 -18.804 24.211 1.521 1.00 10.42 O ATOM 805 OD2 ASP A 48 -20.460 25.183 0.451 1.00 21.21 O ATOM 0 H ASP A 48 -20.516 22.741 -2.729 1.00 51.04 H new ATOM 0 HA ASP A 48 -18.204 23.922 -1.355 1.00 44.51 H new ATOM 0 HB2 ASP A 48 -20.842 22.927 -0.615 1.00 12.34 H new ATOM 0 HB3 ASP A 48 -19.601 22.108 0.312 1.00 12.34 H new ATOM 810 N ASP A 49 -18.134 21.086 -2.653 1.00 54.24 N ATOM 811 CA ASP A 49 -17.382 19.851 -2.845 1.00 15.44 C ATOM 812 C ASP A 49 -16.472 19.953 -4.064 1.00 71.15 C ATOM 813 O ASP A 49 -15.649 19.071 -4.312 1.00 11.01 O ATOM 814 CB ASP A 49 -18.337 18.667 -3.002 1.00 52.03 C ATOM 815 CG ASP A 49 -17.710 17.356 -2.569 1.00 14.42 C ATOM 816 OD1 ASP A 49 -16.533 17.371 -2.153 1.00 22.54 O ATOM 817 OD2 ASP A 49 -18.398 16.317 -2.645 1.00 23.21 O ATOM 0 H ASP A 49 -18.732 21.342 -3.439 1.00 54.24 H new ATOM 0 HA ASP A 49 -16.761 19.692 -1.964 1.00 15.44 H new ATOM 0 HB2 ASP A 49 -19.236 18.848 -2.413 1.00 52.03 H new ATOM 0 HB3 ASP A 49 -18.649 18.591 -4.044 1.00 52.03 H new ATOM 822 N ILE A 50 -16.627 21.033 -4.823 1.00 64.43 N ATOM 823 CA ILE A 50 -15.818 21.249 -6.017 1.00 75.41 C ATOM 824 C ILE A 50 -14.635 22.164 -5.722 1.00 20.34 C ATOM 825 O ILE A 50 -13.557 22.006 -6.296 1.00 13.45 O ATOM 826 CB ILE A 50 -16.653 21.859 -7.159 1.00 3.34 C ATOM 827 CG1 ILE A 50 -15.812 21.967 -8.433 1.00 31.04 C ATOM 828 CG2 ILE A 50 -17.186 23.225 -6.753 1.00 33.03 C ATOM 829 CD1 ILE A 50 -16.216 20.983 -9.508 1.00 22.42 C ATOM 0 H ILE A 50 -17.305 21.771 -4.633 1.00 64.43 H new ATOM 0 HA ILE A 50 -15.449 20.272 -6.329 1.00 75.41 H new ATOM 0 HB ILE A 50 -17.501 21.204 -7.360 1.00 3.34 H new ATOM 0 HG12 ILE A 50 -15.895 22.979 -8.829 1.00 31.04 H new ATOM 0 HG13 ILE A 50 -14.763 21.808 -8.181 1.00 31.04 H new ATOM 0 HG21 ILE A 50 -17.774 23.644 -7.570 1.00 33.03 H new ATOM 0 HG22 ILE A 50 -17.815 23.122 -5.869 1.00 33.03 H new ATOM 0 HG23 ILE A 50 -16.351 23.889 -6.529 1.00 33.03 H new ATOM 0 HD11 ILE A 50 -15.578 21.116 -10.382 1.00 22.42 H new ATOM 0 HD12 ILE A 50 -16.107 19.966 -9.130 1.00 22.42 H new ATOM 0 HD13 ILE A 50 -17.255 21.156 -9.788 1.00 22.42 H new ATOM 841 N ARG A 51 -14.843 23.119 -4.821 1.00 60.13 N ATOM 842 CA ARG A 51 -13.793 24.059 -4.449 1.00 10.24 C ATOM 843 C ARG A 51 -12.811 23.419 -3.472 1.00 34.24 C ATOM 844 O ARG A 51 -11.700 23.912 -3.277 1.00 40.52 O ATOM 845 CB ARG A 51 -14.402 25.316 -3.825 1.00 55.44 C ATOM 846 CG ARG A 51 -14.491 25.263 -2.309 1.00 20.21 C ATOM 847 CD ARG A 51 -15.527 24.250 -1.847 1.00 23.22 C ATOM 848 NE ARG A 51 -15.422 23.974 -0.417 1.00 30.35 N ATOM 849 CZ ARG A 51 -15.762 24.845 0.527 1.00 65.01 C ATOM 850 NH1 ARG A 51 -16.225 26.041 0.193 1.00 14.32 N ATOM 851 NH2 ARG A 51 -15.638 24.520 1.807 1.00 23.05 N ATOM 0 H ARG A 51 -15.729 23.262 -4.336 1.00 60.13 H new ATOM 0 HA ARG A 51 -13.251 24.336 -5.353 1.00 10.24 H new ATOM 0 HB2 ARG A 51 -13.805 26.181 -4.115 1.00 55.44 H new ATOM 0 HB3 ARG A 51 -15.401 25.467 -4.234 1.00 55.44 H new ATOM 0 HG2 ARG A 51 -13.517 25.003 -1.895 1.00 20.21 H new ATOM 0 HG3 ARG A 51 -14.748 26.250 -1.924 1.00 20.21 H new ATOM 0 HD2 ARG A 51 -16.526 24.625 -2.072 1.00 23.22 H new ATOM 0 HD3 ARG A 51 -15.401 23.322 -2.406 1.00 23.22 H new ATOM 0 HE ARG A 51 -15.068 23.062 -0.127 1.00 30.35 H new ATOM 0 HH11 ARG A 51 -16.321 26.294 -0.790 1.00 14.32 H new ATOM 0 HH12 ARG A 51 -16.485 26.708 0.919 1.00 14.32 H new ATOM 0 HH21 ARG A 51 -15.281 23.601 2.067 1.00 23.05 H new ATOM 0 HH22 ARG A 51 -15.899 25.190 2.531 1.00 23.05 H new ATOM 865 N THR A 52 -13.230 22.316 -2.858 1.00 5.12 N ATOM 866 CA THR A 52 -12.389 21.609 -1.900 1.00 20.00 C ATOM 867 C THR A 52 -11.502 20.584 -2.598 1.00 54.11 C ATOM 868 O THR A 52 -10.382 20.318 -2.163 1.00 45.53 O ATOM 869 CB THR A 52 -13.236 20.894 -0.830 1.00 4.32 C ATOM 870 OG1 THR A 52 -12.381 20.260 0.128 1.00 62.11 O ATOM 871 CG2 THR A 52 -14.150 19.858 -1.466 1.00 42.21 C ATOM 0 H THR A 52 -14.146 21.894 -3.007 1.00 5.12 H new ATOM 0 HA THR A 52 -11.762 22.358 -1.416 1.00 20.00 H new ATOM 0 HB THR A 52 -13.853 21.640 -0.329 1.00 4.32 H new ATOM 0 HG1 THR A 52 -12.927 19.809 0.806 1.00 62.11 H new ATOM 0 HG21 THR A 52 -14.738 19.367 -0.691 1.00 42.21 H new ATOM 0 HG22 THR A 52 -14.819 20.348 -2.173 1.00 42.21 H new ATOM 0 HG23 THR A 52 -13.549 19.116 -1.991 1.00 42.21 H new ATOM 879 N LYS A 53 -12.011 20.011 -3.684 1.00 24.23 N ATOM 880 CA LYS A 53 -11.264 19.016 -4.445 1.00 34.35 C ATOM 881 C LYS A 53 -10.661 19.633 -5.702 1.00 70.33 C ATOM 882 O LYS A 53 -9.588 19.228 -6.150 1.00 41.33 O ATOM 883 CB LYS A 53 -12.175 17.846 -4.824 1.00 21.31 C ATOM 884 CG LYS A 53 -13.052 17.363 -3.682 1.00 33.30 C ATOM 885 CD LYS A 53 -12.227 17.007 -2.457 1.00 11.24 C ATOM 886 CE LYS A 53 -13.081 16.358 -1.379 1.00 34.24 C ATOM 887 NZ LYS A 53 -12.933 14.876 -1.371 1.00 40.01 N ATOM 0 H LYS A 53 -12.937 20.219 -4.057 1.00 24.23 H new ATOM 0 HA LYS A 53 -10.452 18.648 -3.817 1.00 34.35 H new ATOM 0 HB2 LYS A 53 -12.811 18.146 -5.657 1.00 21.31 H new ATOM 0 HB3 LYS A 53 -11.561 17.017 -5.175 1.00 21.31 H new ATOM 0 HG2 LYS A 53 -13.773 18.138 -3.423 1.00 33.30 H new ATOM 0 HG3 LYS A 53 -13.622 16.491 -4.004 1.00 33.30 H new ATOM 0 HD2 LYS A 53 -11.423 16.329 -2.743 1.00 11.24 H new ATOM 0 HD3 LYS A 53 -11.758 17.907 -2.059 1.00 11.24 H new ATOM 0 HE2 LYS A 53 -12.800 16.756 -0.404 1.00 34.24 H new ATOM 0 HE3 LYS A 53 -14.127 16.618 -1.539 1.00 34.24 H new ATOM 0 HZ1 LYS A 53 -13.531 14.471 -0.622 1.00 40.01 H new ATOM 0 HZ2 LYS A 53 -13.225 14.493 -2.293 1.00 40.01 H new ATOM 0 HZ3 LYS A 53 -11.939 14.627 -1.192 1.00 40.01 H new ATOM 901 N TYR A 54 -11.356 20.614 -6.266 1.00 74.24 N ATOM 902 CA TYR A 54 -10.889 21.286 -7.473 1.00 74.21 C ATOM 903 C TYR A 54 -10.828 22.796 -7.267 1.00 13.23 C ATOM 904 O TYR A 54 -11.019 23.571 -8.203 1.00 65.45 O ATOM 905 CB TYR A 54 -11.807 20.958 -8.652 1.00 63.34 C ATOM 906 CG TYR A 54 -12.216 19.504 -8.715 1.00 20.52 C ATOM 907 CD1 TYR A 54 -11.292 18.514 -9.027 1.00 51.04 C ATOM 908 CD2 TYR A 54 -13.527 19.119 -8.460 1.00 62.03 C ATOM 909 CE1 TYR A 54 -11.662 17.184 -9.086 1.00 40.43 C ATOM 910 CE2 TYR A 54 -13.905 17.791 -8.515 1.00 53.55 C ATOM 911 CZ TYR A 54 -12.969 16.828 -8.829 1.00 55.14 C ATOM 912 OH TYR A 54 -13.342 15.504 -8.886 1.00 5.53 O ATOM 0 H TYR A 54 -12.245 20.962 -5.907 1.00 74.24 H new ATOM 0 HA TYR A 54 -9.884 20.926 -7.692 1.00 74.21 H new ATOM 0 HB2 TYR A 54 -12.702 21.576 -8.587 1.00 63.34 H new ATOM 0 HB3 TYR A 54 -11.302 21.225 -9.580 1.00 63.34 H new ATOM 0 HD1 TYR A 54 -10.267 18.789 -9.227 1.00 51.04 H new ATOM 0 HD2 TYR A 54 -14.263 19.871 -8.215 1.00 62.03 H new ATOM 0 HE1 TYR A 54 -10.931 16.428 -9.332 1.00 40.43 H new ATOM 0 HE2 TYR A 54 -14.928 17.509 -8.313 1.00 53.55 H new ATOM 0 HH TYR A 54 -14.296 15.424 -8.678 1.00 5.53 H new ATOM 922 N GLY A 55 -10.560 23.208 -6.031 1.00 34.20 N ATOM 923 CA GLY A 55 -10.478 24.623 -5.722 1.00 51.41 C ATOM 924 C GLY A 55 -9.526 25.363 -6.641 1.00 70.21 C ATOM 925 O GLY A 55 -9.618 26.581 -6.791 1.00 55.34 O ATOM 0 H GLY A 55 -10.398 22.586 -5.239 1.00 34.20 H new ATOM 0 HA2 GLY A 55 -11.471 25.067 -5.799 1.00 51.41 H new ATOM 0 HA3 GLY A 55 -10.152 24.748 -4.689 1.00 51.41 H new ATOM 929 N ASP A 56 -8.608 24.626 -7.256 1.00 23.31 N ATOM 930 CA ASP A 56 -7.634 25.219 -8.165 1.00 3.23 C ATOM 931 C ASP A 56 -8.330 25.891 -9.344 1.00 61.23 C ATOM 932 O ASP A 56 -8.093 27.065 -9.633 1.00 20.35 O ATOM 933 CB ASP A 56 -6.661 24.153 -8.670 1.00 44.23 C ATOM 934 CG ASP A 56 -5.212 24.570 -8.511 1.00 64.14 C ATOM 935 OD1 ASP A 56 -4.696 25.275 -9.404 1.00 13.23 O ATOM 936 OD2 ASP A 56 -4.593 24.190 -7.495 1.00 64.02 O ATOM 0 H ASP A 56 -8.518 23.616 -7.142 1.00 23.31 H new ATOM 0 HA ASP A 56 -7.076 25.977 -7.616 1.00 3.23 H new ATOM 0 HB2 ASP A 56 -6.830 23.224 -8.126 1.00 44.23 H new ATOM 0 HB3 ASP A 56 -6.864 23.949 -9.721 1.00 44.23 H new ATOM 941 N LEU A 57 -9.189 25.139 -10.024 1.00 24.21 N ATOM 942 CA LEU A 57 -9.919 25.661 -11.174 1.00 32.33 C ATOM 943 C LEU A 57 -11.161 26.426 -10.728 1.00 51.02 C ATOM 944 O LEU A 57 -11.571 27.394 -11.370 1.00 25.41 O ATOM 945 CB LEU A 57 -10.318 24.519 -12.110 1.00 74.12 C ATOM 946 CG LEU A 57 -10.574 23.165 -11.447 1.00 13.10 C ATOM 947 CD1 LEU A 57 -11.686 22.419 -12.168 1.00 13.21 C ATOM 948 CD2 LEU A 57 -9.300 22.334 -11.423 1.00 70.42 C ATOM 0 H LEU A 57 -9.397 24.166 -9.799 1.00 24.21 H new ATOM 0 HA LEU A 57 -9.264 26.349 -11.709 1.00 32.33 H new ATOM 0 HB2 LEU A 57 -11.220 24.814 -12.647 1.00 74.12 H new ATOM 0 HB3 LEU A 57 -9.531 24.394 -12.854 1.00 74.12 H new ATOM 0 HG LEU A 57 -10.890 23.340 -10.418 1.00 13.10 H new ATOM 0 HD11 LEU A 57 -11.854 21.458 -11.682 1.00 13.21 H new ATOM 0 HD12 LEU A 57 -12.602 23.009 -12.133 1.00 13.21 H new ATOM 0 HD13 LEU A 57 -11.400 22.255 -13.207 1.00 13.21 H new ATOM 0 HD21 LEU A 57 -9.501 21.374 -10.948 1.00 70.42 H new ATOM 0 HD22 LEU A 57 -8.954 22.169 -12.443 1.00 70.42 H new ATOM 0 HD23 LEU A 57 -8.531 22.863 -10.861 1.00 70.42 H new ATOM 960 N VAL A 58 -11.756 25.987 -9.623 1.00 43.12 N ATOM 961 CA VAL A 58 -12.949 26.633 -9.089 1.00 71.43 C ATOM 962 C VAL A 58 -12.718 28.124 -8.875 1.00 2.22 C ATOM 963 O VAL A 58 -13.592 28.945 -9.155 1.00 22.14 O ATOM 964 CB VAL A 58 -13.384 25.995 -7.756 1.00 65.34 C ATOM 965 CG1 VAL A 58 -14.573 26.740 -7.170 1.00 5.31 C ATOM 966 CG2 VAL A 58 -13.711 24.522 -7.953 1.00 12.33 C ATOM 0 H VAL A 58 -11.431 25.187 -9.080 1.00 43.12 H new ATOM 0 HA VAL A 58 -13.741 26.493 -9.825 1.00 71.43 H new ATOM 0 HB VAL A 58 -12.557 26.069 -7.050 1.00 65.34 H new ATOM 0 HG11 VAL A 58 -14.866 26.275 -6.229 1.00 5.31 H new ATOM 0 HG12 VAL A 58 -14.299 27.780 -6.991 1.00 5.31 H new ATOM 0 HG13 VAL A 58 -15.408 26.700 -7.870 1.00 5.31 H new ATOM 0 HG21 VAL A 58 -14.016 24.087 -7.002 1.00 12.33 H new ATOM 0 HG22 VAL A 58 -14.522 24.423 -8.675 1.00 12.33 H new ATOM 0 HG23 VAL A 58 -12.829 24.000 -8.324 1.00 12.33 H new ATOM 976 N ASP A 59 -11.535 28.468 -8.377 1.00 51.12 N ATOM 977 CA ASP A 59 -11.187 29.862 -8.126 1.00 73.13 C ATOM 978 C ASP A 59 -10.745 30.552 -9.413 1.00 75.11 C ATOM 979 O ASP A 59 -10.307 31.702 -9.393 1.00 55.35 O ATOM 980 CB ASP A 59 -10.077 29.952 -7.078 1.00 35.03 C ATOM 981 CG ASP A 59 -10.591 29.722 -5.670 1.00 10.11 C ATOM 982 OD1 ASP A 59 -11.414 28.802 -5.481 1.00 73.22 O ATOM 983 OD2 ASP A 59 -10.169 30.462 -4.757 1.00 31.33 O ATOM 0 H ASP A 59 -10.801 27.801 -8.139 1.00 51.12 H new ATOM 0 HA ASP A 59 -12.075 30.370 -7.749 1.00 73.13 H new ATOM 0 HB2 ASP A 59 -9.306 29.216 -7.305 1.00 35.03 H new ATOM 0 HB3 ASP A 59 -9.607 30.934 -7.134 1.00 35.03 H new ATOM 988 N ASP A 60 -10.862 29.841 -10.529 1.00 55.34 N ATOM 989 CA ASP A 60 -10.475 30.385 -11.826 1.00 12.01 C ATOM 990 C ASP A 60 -11.683 30.498 -12.750 1.00 53.44 C ATOM 991 O ASP A 60 -11.647 31.215 -13.751 1.00 74.00 O ATOM 992 CB ASP A 60 -9.404 29.506 -12.472 1.00 64.41 C ATOM 993 CG ASP A 60 -8.001 29.906 -12.060 1.00 65.23 C ATOM 994 OD1 ASP A 60 -7.530 30.971 -12.513 1.00 30.15 O ATOM 995 OD2 ASP A 60 -7.373 29.154 -11.285 1.00 52.51 O ATOM 0 H ASP A 60 -11.222 28.887 -10.562 1.00 55.34 H new ATOM 0 HA ASP A 60 -10.067 31.383 -11.667 1.00 12.01 H new ATOM 0 HB2 ASP A 60 -9.578 28.466 -12.197 1.00 64.41 H new ATOM 0 HB3 ASP A 60 -9.493 29.568 -13.557 1.00 64.41 H new ATOM 1000 N PHE A 61 -12.752 29.786 -12.409 1.00 61.24 N ATOM 1001 CA PHE A 61 -13.971 29.805 -13.210 1.00 23.32 C ATOM 1002 C PHE A 61 -14.988 30.783 -12.629 1.00 45.23 C ATOM 1003 O PHE A 61 -15.499 31.653 -13.334 1.00 4.13 O ATOM 1004 CB PHE A 61 -14.579 28.403 -13.284 1.00 35.15 C ATOM 1005 CG PHE A 61 -15.894 28.358 -14.009 1.00 31.44 C ATOM 1006 CD1 PHE A 61 -15.939 28.396 -15.393 1.00 4.52 C ATOM 1007 CD2 PHE A 61 -17.085 28.277 -13.306 1.00 35.33 C ATOM 1008 CE1 PHE A 61 -17.147 28.355 -16.063 1.00 64.42 C ATOM 1009 CE2 PHE A 61 -18.296 28.234 -13.971 1.00 13.14 C ATOM 1010 CZ PHE A 61 -18.327 28.274 -15.351 1.00 11.41 C ATOM 0 H PHE A 61 -12.799 29.189 -11.584 1.00 61.24 H new ATOM 0 HA PHE A 61 -13.711 30.134 -14.216 1.00 23.32 H new ATOM 0 HB2 PHE A 61 -13.875 27.736 -13.782 1.00 35.15 H new ATOM 0 HB3 PHE A 61 -14.718 28.022 -12.272 1.00 35.15 H new ATOM 0 HD1 PHE A 61 -15.019 28.458 -15.955 1.00 4.52 H new ATOM 0 HD2 PHE A 61 -17.067 28.247 -12.227 1.00 35.33 H new ATOM 0 HE1 PHE A 61 -17.168 28.386 -17.142 1.00 64.42 H new ATOM 0 HE2 PHE A 61 -19.218 28.169 -13.412 1.00 13.14 H new ATOM 0 HZ PHE A 61 -19.272 28.242 -15.872 1.00 11.41 H new