USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=14 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= -0.222 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=-0.29) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0884 USER MOD Single : A 37 ASN : amide:sc= -0.097 K(o=-0.097,f=-0.81) USER MOD Single : A 38 HIS : no HD1:sc= -0.157 X(o=-0.16,f=-0.01) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.226 X(o=-0.23,f=-0.016) USER MOD Single : A 46 TYR OH : rot 75:sc= 1.21 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 -45:sc= 0.269 USER MOD Single : A 61 MET CE :methyl -123:sc= 0 (180deg=-0.105) 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 18:sc= 0.851 USER MOD Single : A 78 LYS NZ :NH3+ -158:sc= -0.104 (180deg=-0.533) USER MOD Single : A 80 ASN :FLIP amide:sc= 0.353 F(o=-0.24,f=0.35) 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 34.900 -15.866 1.815 1.00 0.00 N ATOM 232 CA ARG A 18 36.209 -15.611 2.403 1.00 0.00 C ATOM 233 C ARG A 18 36.859 -16.910 2.870 1.00 0.00 C ATOM 234 O ARG A 18 36.701 -17.316 4.022 1.00 0.00 O ATOM 235 CB ARG A 18 36.083 -14.640 3.579 1.00 0.00 C ATOM 236 CG ARG A 18 35.456 -13.307 3.204 1.00 0.00 C ATOM 237 CD ARG A 18 36.417 -12.448 2.396 1.00 0.00 C ATOM 238 NE ARG A 18 36.259 -11.026 2.691 1.00 0.00 N ATOM 239 CZ ARG A 18 35.287 -10.274 2.188 1.00 0.00 C ATOM 240 NH1 ARG A 18 34.390 -10.806 1.369 1.00 0.00 N ATOM 241 NH2 ARG A 18 35.210 -8.988 2.503 1.00 0.00 N ATOM 0 HA ARG A 18 36.842 -15.164 1.637 1.00 0.00 H new ATOM 0 HB2 ARG A 18 35.484 -15.106 4.361 1.00 0.00 H new ATOM 0 HB3 ARG A 18 37.073 -14.461 3.999 1.00 0.00 H new ATOM 0 HG2 ARG A 18 34.548 -13.480 2.627 1.00 0.00 H new ATOM 0 HG3 ARG A 18 35.162 -12.774 4.108 1.00 0.00 H new ATOM 0 HD2 ARG A 18 37.442 -12.751 2.610 1.00 0.00 H new ATOM 0 HD3 ARG A 18 36.250 -12.619 1.333 1.00 0.00 H new ATOM 0 HE ARG A 18 36.933 -10.586 3.318 1.00 0.00 H new ATOM 0 HH11 ARG A 18 34.446 -11.795 1.124 1.00 0.00 H new ATOM 0 HH12 ARG A 18 33.644 -10.227 0.984 1.00 0.00 H new ATOM 0 HH21 ARG A 18 35.898 -8.575 3.133 1.00 0.00 H new ATOM 0 HH22 ARG A 18 34.463 -8.412 2.116 1.00 0.00 H new ATOM 255 N LEU A 19 37.589 -17.557 1.969 1.00 0.00 N ATOM 256 CA LEU A 19 38.262 -18.811 2.287 1.00 0.00 C ATOM 257 C LEU A 19 39.766 -18.695 2.059 1.00 0.00 C ATOM 258 O LEU A 19 40.211 -18.226 1.011 1.00 0.00 O ATOM 259 CB LEU A 19 37.692 -19.949 1.439 1.00 0.00 C ATOM 260 CG LEU A 19 36.167 -20.024 1.352 1.00 0.00 C ATOM 261 CD1 LEU A 19 35.741 -20.908 0.191 1.00 0.00 C ATOM 262 CD2 LEU A 19 35.584 -20.539 2.660 1.00 0.00 C ATOM 0 H LEU A 19 37.730 -17.234 1.012 1.00 0.00 H new ATOM 0 HA LEU A 19 38.089 -19.030 3.341 1.00 0.00 H new ATOM 0 HB2 LEU A 19 38.089 -19.856 0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 19 38.060 -20.893 1.840 1.00 0.00 H new ATOM 0 HG LEU A 19 35.782 -19.020 1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.653 -20.949 0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 19 36.128 -20.496 -0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 19 36.136 -21.914 0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.498 -20.586 2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 19 35.976 -21.535 2.866 1.00 0.00 H new ATOM 0 HD23 LEU A 19 35.860 -19.865 3.471 1.00 0.00 H new ATOM 274 N LEU A 20 40.544 -19.128 3.045 1.00 0.00 N ATOM 275 CA LEU A 20 41.999 -19.075 2.951 1.00 0.00 C ATOM 276 C LEU A 20 42.576 -20.455 2.653 1.00 0.00 C ATOM 277 O LEU A 20 41.975 -21.475 2.985 1.00 0.00 O ATOM 278 CB LEU A 20 42.594 -18.530 4.250 1.00 0.00 C ATOM 279 CG LEU A 20 42.887 -17.029 4.278 1.00 0.00 C ATOM 280 CD1 LEU A 20 43.330 -16.597 5.667 1.00 0.00 C ATOM 281 CD2 LEU A 20 43.946 -16.674 3.244 1.00 0.00 C ATOM 0 H LEU A 20 40.192 -19.520 3.919 1.00 0.00 H new ATOM 0 HA LEU A 20 42.261 -18.407 2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 20 41.908 -18.761 5.065 1.00 0.00 H new ATOM 0 HB3 LEU A 20 43.522 -19.065 4.453 1.00 0.00 H new ATOM 0 HG LEU A 20 41.970 -16.494 4.029 1.00 0.00 H new ATOM 0 HD11 LEU A 20 43.534 -15.526 5.667 1.00 0.00 H new ATOM 0 HD12 LEU A 20 42.540 -16.816 6.385 1.00 0.00 H new ATOM 0 HD13 LEU A 20 44.234 -17.139 5.945 1.00 0.00 H new ATOM 0 HD21 LEU A 20 44.142 -15.602 3.277 1.00 0.00 H new ATOM 0 HD22 LEU A 20 44.865 -17.218 3.463 1.00 0.00 H new ATOM 0 HD23 LEU A 20 43.590 -16.947 2.250 1.00 0.00 H new ATOM 293 N GLY A 21 43.748 -20.478 2.025 1.00 0.00 N ATOM 294 CA GLY A 21 44.388 -21.738 1.695 1.00 0.00 C ATOM 295 C GLY A 21 45.896 -21.615 1.602 1.00 0.00 C ATOM 296 O GLY A 21 46.461 -20.565 1.909 1.00 0.00 O ATOM 0 H GLY A 21 44.265 -19.647 1.739 1.00 0.00 H new ATOM 0 HA2 GLY A 21 44.133 -22.481 2.451 1.00 0.00 H new ATOM 0 HA3 GLY A 21 43.997 -22.103 0.745 1.00 0.00 H new ATOM 300 N TYR A 22 46.550 -22.691 1.179 1.00 0.00 N ATOM 301 CA TYR A 22 48.003 -22.700 1.050 1.00 0.00 C ATOM 302 C TYR A 22 48.426 -23.249 -0.309 1.00 0.00 C ATOM 303 O TYR A 22 47.919 -24.275 -0.762 1.00 0.00 O ATOM 304 CB TYR A 22 48.629 -23.537 2.167 1.00 0.00 C ATOM 305 CG TYR A 22 48.115 -23.188 3.546 1.00 0.00 C ATOM 306 CD1 TYR A 22 48.356 -21.938 4.103 1.00 0.00 C ATOM 307 CD2 TYR A 22 47.388 -24.108 4.291 1.00 0.00 C ATOM 308 CE1 TYR A 22 47.888 -21.616 5.362 1.00 0.00 C ATOM 309 CE2 TYR A 22 46.916 -23.794 5.551 1.00 0.00 C ATOM 310 CZ TYR A 22 47.169 -22.547 6.082 1.00 0.00 C ATOM 311 OH TYR A 22 46.701 -22.229 7.336 1.00 0.00 O ATOM 0 H TYR A 22 46.098 -23.568 0.920 1.00 0.00 H new ATOM 0 HA TYR A 22 48.356 -21.672 1.132 1.00 0.00 H new ATOM 0 HB2 TYR A 22 48.434 -24.592 1.972 1.00 0.00 H new ATOM 0 HB3 TYR A 22 49.711 -23.404 2.147 1.00 0.00 H new ATOM 0 HD1 TYR A 22 48.919 -21.206 3.542 1.00 0.00 H new ATOM 0 HD2 TYR A 22 47.188 -25.086 3.878 1.00 0.00 H new ATOM 0 HE1 TYR A 22 48.084 -20.640 5.781 1.00 0.00 H new ATOM 0 HE2 TYR A 22 46.352 -24.521 6.117 1.00 0.00 H new ATOM 0 HH TYR A 22 46.214 -22.994 7.707 1.00 0.00 H new ATOM 321 N VAL A 23 49.359 -22.557 -0.955 1.00 0.00 N ATOM 322 CA VAL A 23 49.853 -22.974 -2.262 1.00 0.00 C ATOM 323 C VAL A 23 50.315 -24.427 -2.237 1.00 0.00 C ATOM 324 O VAL A 23 51.193 -24.796 -1.458 1.00 0.00 O ATOM 325 CB VAL A 23 51.019 -22.084 -2.731 1.00 0.00 C ATOM 326 CG1 VAL A 23 51.535 -22.550 -4.084 1.00 0.00 C ATOM 327 CG2 VAL A 23 50.586 -20.627 -2.789 1.00 0.00 C ATOM 0 H VAL A 23 49.788 -21.705 -0.594 1.00 0.00 H new ATOM 0 HA VAL A 23 49.023 -22.872 -2.962 1.00 0.00 H new ATOM 0 HB VAL A 23 51.832 -22.169 -2.010 1.00 0.00 H new ATOM 0 HG11 VAL A 23 52.359 -21.910 -4.400 1.00 0.00 H new ATOM 0 HG12 VAL A 23 51.885 -23.579 -4.005 1.00 0.00 H new ATOM 0 HG13 VAL A 23 50.731 -22.496 -4.818 1.00 0.00 H new ATOM 0 HG21 VAL A 23 51.422 -20.012 -3.122 1.00 0.00 H new ATOM 0 HG22 VAL A 23 49.757 -20.522 -3.488 1.00 0.00 H new ATOM 0 HG23 VAL A 23 50.269 -20.302 -1.798 1.00 0.00 H new ATOM 337 N ALA A 24 49.717 -25.247 -3.095 1.00 0.00 N ATOM 338 CA ALA A 24 50.069 -26.659 -3.173 1.00 0.00 C ATOM 339 C ALA A 24 51.089 -26.910 -4.279 1.00 0.00 C ATOM 340 O ALA A 24 52.021 -27.697 -4.112 1.00 0.00 O ATOM 341 CB ALA A 24 48.823 -27.502 -3.401 1.00 0.00 C ATOM 0 H ALA A 24 48.987 -24.958 -3.746 1.00 0.00 H new ATOM 0 HA ALA A 24 50.521 -26.948 -2.224 1.00 0.00 H new ATOM 0 HB1 ALA A 24 49.101 -28.554 -3.457 1.00 0.00 H new ATOM 0 HB2 ALA A 24 48.127 -27.354 -2.575 1.00 0.00 H new ATOM 0 HB3 ALA A 24 48.347 -27.202 -4.334 1.00 0.00 H new ATOM 347 N THR A 25 50.905 -26.238 -5.411 1.00 0.00 N ATOM 348 CA THR A 25 51.808 -26.389 -6.545 1.00 0.00 C ATOM 349 C THR A 25 51.764 -25.164 -7.451 1.00 0.00 C ATOM 350 O THR A 25 50.690 -24.721 -7.862 1.00 0.00 O ATOM 351 CB THR A 25 51.461 -27.640 -7.375 1.00 0.00 C ATOM 352 OG1 THR A 25 51.459 -28.800 -6.536 1.00 0.00 O ATOM 353 CG2 THR A 25 52.458 -27.830 -8.509 1.00 0.00 C ATOM 0 H THR A 25 50.138 -25.584 -5.567 1.00 0.00 H new ATOM 0 HA THR A 25 52.813 -26.499 -6.137 1.00 0.00 H new ATOM 0 HB THR A 25 50.469 -27.501 -7.804 1.00 0.00 H new ATOM 0 HG1 THR A 25 51.236 -29.590 -7.071 1.00 0.00 H new ATOM 0 HG21 THR A 25 52.193 -28.719 -9.081 1.00 0.00 H new ATOM 0 HG22 THR A 25 52.436 -26.958 -9.163 1.00 0.00 H new ATOM 0 HG23 THR A 25 53.460 -27.949 -8.096 1.00 0.00 H new ATOM 361 N LEU A 26 52.936 -24.620 -7.760 1.00 0.00 N ATOM 362 CA LEU A 26 53.031 -23.445 -8.618 1.00 0.00 C ATOM 363 C LEU A 26 53.811 -23.762 -9.890 1.00 0.00 C ATOM 364 O LEU A 26 55.038 -23.871 -9.868 1.00 0.00 O ATOM 365 CB LEU A 26 53.702 -22.293 -7.868 1.00 0.00 C ATOM 366 CG LEU A 26 52.766 -21.225 -7.301 1.00 0.00 C ATOM 367 CD1 LEU A 26 53.521 -20.299 -6.360 1.00 0.00 C ATOM 368 CD2 LEU A 26 52.118 -20.432 -8.426 1.00 0.00 C ATOM 0 H LEU A 26 53.833 -24.974 -7.429 1.00 0.00 H new ATOM 0 HA LEU A 26 52.020 -23.147 -8.898 1.00 0.00 H new ATOM 0 HB2 LEU A 26 54.284 -22.711 -7.046 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.407 -21.808 -8.543 1.00 0.00 H new ATOM 0 HG LEU A 26 51.979 -21.723 -6.734 1.00 0.00 H new ATOM 0 HD11 LEU A 26 52.839 -19.545 -5.966 1.00 0.00 H new ATOM 0 HD12 LEU A 26 53.937 -20.878 -5.536 1.00 0.00 H new ATOM 0 HD13 LEU A 26 54.329 -19.809 -6.903 1.00 0.00 H new ATOM 0 HD21 LEU A 26 51.455 -19.677 -8.004 1.00 0.00 H new ATOM 0 HD22 LEU A 26 52.891 -19.945 -9.020 1.00 0.00 H new ATOM 0 HD23 LEU A 26 51.542 -21.105 -9.061 1.00 0.00 H new ATOM 380 N LYS A 27 53.093 -23.906 -10.998 1.00 0.00 N ATOM 381 CA LYS A 27 53.717 -24.207 -12.281 1.00 0.00 C ATOM 382 C LYS A 27 53.996 -22.928 -13.064 1.00 0.00 C ATOM 383 O LYS A 27 53.820 -21.823 -12.549 1.00 0.00 O ATOM 384 CB LYS A 27 52.819 -25.135 -13.103 1.00 0.00 C ATOM 385 CG LYS A 27 52.434 -26.411 -12.375 1.00 0.00 C ATOM 386 CD LYS A 27 53.101 -27.628 -12.992 1.00 0.00 C ATOM 387 CE LYS A 27 52.729 -28.904 -12.252 1.00 0.00 C ATOM 388 NZ LYS A 27 53.930 -29.620 -11.742 1.00 0.00 N ATOM 0 H LYS A 27 52.077 -23.819 -11.034 1.00 0.00 H new ATOM 0 HA LYS A 27 54.666 -24.707 -12.087 1.00 0.00 H new ATOM 0 HB2 LYS A 27 51.912 -24.597 -13.380 1.00 0.00 H new ATOM 0 HB3 LYS A 27 53.331 -25.396 -14.029 1.00 0.00 H new ATOM 0 HG2 LYS A 27 52.718 -26.332 -11.326 1.00 0.00 H new ATOM 0 HG3 LYS A 27 51.351 -26.535 -12.404 1.00 0.00 H new ATOM 0 HD2 LYS A 27 52.807 -27.714 -14.038 1.00 0.00 H new ATOM 0 HD3 LYS A 27 54.183 -27.499 -12.975 1.00 0.00 H new ATOM 0 HE2 LYS A 27 52.070 -28.661 -11.418 1.00 0.00 H new ATOM 0 HE3 LYS A 27 52.171 -29.561 -12.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 53.634 -30.484 -11.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 54.547 -29.874 -12.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 54.449 -29.003 -11.086 1.00 0.00 H new ATOM 402 N ASP A 28 54.429 -23.084 -14.310 1.00 0.00 N ATOM 403 CA ASP A 28 54.729 -21.941 -15.164 1.00 0.00 C ATOM 404 C ASP A 28 53.537 -21.598 -16.052 1.00 0.00 C ATOM 405 O ASP A 28 53.697 -21.294 -17.233 1.00 0.00 O ATOM 406 CB ASP A 28 55.957 -22.232 -16.029 1.00 0.00 C ATOM 407 CG ASP A 28 56.647 -20.967 -16.500 1.00 0.00 C ATOM 408 OD1 ASP A 28 55.971 -19.920 -16.587 1.00 0.00 O ATOM 409 OD2 ASP A 28 57.862 -21.023 -16.779 1.00 0.00 O ATOM 0 H ASP A 28 54.580 -23.991 -14.751 1.00 0.00 H new ATOM 0 HA ASP A 28 54.940 -21.085 -14.523 1.00 0.00 H new ATOM 0 HB2 ASP A 28 56.663 -22.837 -15.460 1.00 0.00 H new ATOM 0 HB3 ASP A 28 55.656 -22.822 -16.895 1.00 0.00 H new ATOM 414 N ASN A 29 52.341 -21.650 -15.474 1.00 0.00 N ATOM 415 CA ASN A 29 51.121 -21.346 -16.213 1.00 0.00 C ATOM 416 C ASN A 29 49.909 -21.348 -15.286 1.00 0.00 C ATOM 417 O ASN A 29 48.997 -20.535 -15.438 1.00 0.00 O ATOM 418 CB ASN A 29 50.917 -22.361 -17.340 1.00 0.00 C ATOM 419 CG ASN A 29 50.027 -21.826 -18.445 1.00 0.00 C ATOM 420 OD1 ASN A 29 48.841 -21.574 -18.235 1.00 0.00 O ATOM 421 ND2 ASN A 29 50.599 -21.650 -19.631 1.00 0.00 N ATOM 0 H ASN A 29 52.191 -21.900 -14.497 1.00 0.00 H new ATOM 0 HA ASN A 29 51.225 -20.350 -16.644 1.00 0.00 H new ATOM 0 HB2 ASN A 29 51.886 -22.635 -17.758 1.00 0.00 H new ATOM 0 HB3 ASN A 29 50.477 -23.271 -16.931 1.00 0.00 H new ATOM 0 HD21 ASN A 29 50.051 -21.292 -20.413 1.00 0.00 H new ATOM 0 HD22 ASN A 29 51.586 -21.873 -19.759 1.00 0.00 H new ATOM 428 N PHE A 30 49.907 -22.266 -14.325 1.00 0.00 N ATOM 429 CA PHE A 30 48.807 -22.373 -13.374 1.00 0.00 C ATOM 430 C PHE A 30 49.284 -22.981 -12.058 1.00 0.00 C ATOM 431 O PHE A 30 50.398 -23.495 -11.967 1.00 0.00 O ATOM 432 CB PHE A 30 47.678 -23.222 -13.961 1.00 0.00 C ATOM 433 CG PHE A 30 48.152 -24.508 -14.575 1.00 0.00 C ATOM 434 CD1 PHE A 30 48.591 -25.552 -13.777 1.00 0.00 C ATOM 435 CD2 PHE A 30 48.158 -24.673 -15.951 1.00 0.00 C ATOM 436 CE1 PHE A 30 49.028 -26.737 -14.340 1.00 0.00 C ATOM 437 CE2 PHE A 30 48.593 -25.855 -16.519 1.00 0.00 C ATOM 438 CZ PHE A 30 49.029 -26.888 -15.713 1.00 0.00 C ATOM 0 H PHE A 30 50.654 -22.946 -14.184 1.00 0.00 H new ATOM 0 HA PHE A 30 48.432 -21.369 -13.176 1.00 0.00 H new ATOM 0 HB2 PHE A 30 46.958 -23.448 -13.175 1.00 0.00 H new ATOM 0 HB3 PHE A 30 47.152 -22.640 -14.718 1.00 0.00 H new ATOM 0 HD1 PHE A 30 48.592 -25.439 -12.703 1.00 0.00 H new ATOM 0 HD2 PHE A 30 47.819 -23.868 -16.587 1.00 0.00 H new ATOM 0 HE1 PHE A 30 49.368 -27.543 -13.707 1.00 0.00 H new ATOM 0 HE2 PHE A 30 48.592 -25.971 -17.593 1.00 0.00 H new ATOM 0 HZ PHE A 30 49.370 -27.812 -16.155 1.00 0.00 H new ATOM 448 N GLY A 31 48.432 -22.917 -11.039 1.00 0.00 N ATOM 449 CA GLY A 31 48.783 -23.464 -9.742 1.00 0.00 C ATOM 450 C GLY A 31 47.595 -24.081 -9.031 1.00 0.00 C ATOM 451 O GLY A 31 46.470 -24.030 -9.529 1.00 0.00 O ATOM 0 H GLY A 31 47.504 -22.496 -11.089 1.00 0.00 H new ATOM 0 HA2 GLY A 31 49.559 -24.219 -9.868 1.00 0.00 H new ATOM 0 HA3 GLY A 31 49.204 -22.674 -9.120 1.00 0.00 H new ATOM 455 N PHE A 32 47.844 -24.667 -7.865 1.00 0.00 N ATOM 456 CA PHE A 32 46.786 -25.299 -7.086 1.00 0.00 C ATOM 457 C PHE A 32 46.818 -24.821 -5.637 1.00 0.00 C ATOM 458 O PHE A 32 47.878 -24.495 -5.103 1.00 0.00 O ATOM 459 CB PHE A 32 46.928 -26.822 -7.135 1.00 0.00 C ATOM 460 CG PHE A 32 46.701 -27.401 -8.502 1.00 0.00 C ATOM 461 CD1 PHE A 32 47.677 -27.305 -9.480 1.00 0.00 C ATOM 462 CD2 PHE A 32 45.510 -28.041 -8.809 1.00 0.00 C ATOM 463 CE1 PHE A 32 47.471 -27.838 -10.739 1.00 0.00 C ATOM 464 CE2 PHE A 32 45.299 -28.575 -10.066 1.00 0.00 C ATOM 465 CZ PHE A 32 46.280 -28.473 -11.033 1.00 0.00 C ATOM 0 H PHE A 32 48.769 -24.717 -7.439 1.00 0.00 H new ATOM 0 HA PHE A 32 45.829 -25.016 -7.523 1.00 0.00 H new ATOM 0 HB2 PHE A 32 47.926 -27.097 -6.794 1.00 0.00 H new ATOM 0 HB3 PHE A 32 46.219 -27.268 -6.438 1.00 0.00 H new ATOM 0 HD1 PHE A 32 48.610 -26.808 -9.257 1.00 0.00 H new ATOM 0 HD2 PHE A 32 44.739 -28.123 -8.058 1.00 0.00 H new ATOM 0 HE1 PHE A 32 48.241 -27.758 -11.492 1.00 0.00 H new ATOM 0 HE2 PHE A 32 44.367 -29.072 -10.292 1.00 0.00 H new ATOM 0 HZ PHE A 32 46.116 -28.889 -12.016 1.00 0.00 H new ATOM 475 N ILE A 33 45.648 -24.781 -5.008 1.00 0.00 N ATOM 476 CA ILE A 33 45.541 -24.343 -3.622 1.00 0.00 C ATOM 477 C ILE A 33 45.000 -25.458 -2.733 1.00 0.00 C ATOM 478 O ILE A 33 44.059 -26.158 -3.104 1.00 0.00 O ATOM 479 CB ILE A 33 44.630 -23.109 -3.490 1.00 0.00 C ATOM 480 CG1 ILE A 33 45.149 -21.968 -4.367 1.00 0.00 C ATOM 481 CG2 ILE A 33 44.542 -22.668 -2.036 1.00 0.00 C ATOM 482 CD1 ILE A 33 44.158 -20.838 -4.538 1.00 0.00 C ATOM 0 H ILE A 33 44.761 -25.047 -5.436 1.00 0.00 H new ATOM 0 HA ILE A 33 46.547 -24.078 -3.297 1.00 0.00 H new ATOM 0 HB ILE A 33 43.630 -23.377 -3.830 1.00 0.00 H new ATOM 0 HG12 ILE A 33 46.066 -21.573 -3.930 1.00 0.00 H new ATOM 0 HG13 ILE A 33 45.409 -22.364 -5.349 1.00 0.00 H new ATOM 0 HG21 ILE A 33 43.894 -21.795 -1.959 1.00 0.00 H new ATOM 0 HG22 ILE A 33 44.131 -23.479 -1.434 1.00 0.00 H new ATOM 0 HG23 ILE A 33 45.538 -22.415 -1.672 1.00 0.00 H new ATOM 0 HD11 ILE A 33 44.593 -20.065 -5.171 1.00 0.00 H new ATOM 0 HD12 ILE A 33 43.249 -21.219 -5.003 1.00 0.00 H new ATOM 0 HD13 ILE A 33 43.917 -20.415 -3.563 1.00 0.00 H new ATOM 494 N GLU A 34 45.602 -25.615 -1.558 1.00 0.00 N ATOM 495 CA GLU A 34 45.179 -26.645 -0.616 1.00 0.00 C ATOM 496 C GLU A 34 44.236 -26.067 0.435 1.00 0.00 C ATOM 497 O GLU A 34 44.459 -24.971 0.951 1.00 0.00 O ATOM 498 CB GLU A 34 46.395 -27.275 0.065 1.00 0.00 C ATOM 499 CG GLU A 34 46.687 -28.692 -0.398 1.00 0.00 C ATOM 500 CD GLU A 34 48.155 -29.054 -0.281 1.00 0.00 C ATOM 501 OE1 GLU A 34 48.917 -28.255 0.303 1.00 0.00 O ATOM 502 OE2 GLU A 34 48.541 -30.135 -0.772 1.00 0.00 O ATOM 0 H GLU A 34 46.383 -25.043 -1.236 1.00 0.00 H new ATOM 0 HA GLU A 34 44.645 -27.414 -1.174 1.00 0.00 H new ATOM 0 HB2 GLU A 34 47.270 -26.653 -0.124 1.00 0.00 H new ATOM 0 HB3 GLU A 34 46.235 -27.280 1.143 1.00 0.00 H new ATOM 0 HG2 GLU A 34 46.096 -29.392 0.193 1.00 0.00 H new ATOM 0 HG3 GLU A 34 46.371 -28.804 -1.435 1.00 0.00 H new ATOM 509 N THR A 35 43.180 -26.811 0.748 1.00 0.00 N ATOM 510 CA THR A 35 42.202 -26.373 1.736 1.00 0.00 C ATOM 511 C THR A 35 42.656 -26.718 3.150 1.00 0.00 C ATOM 512 O THR A 35 43.571 -27.518 3.340 1.00 0.00 O ATOM 513 CB THR A 35 40.823 -27.011 1.482 1.00 0.00 C ATOM 514 OG1 THR A 35 40.922 -28.438 1.551 1.00 0.00 O ATOM 515 CG2 THR A 35 40.279 -26.601 0.121 1.00 0.00 C ATOM 0 H THR A 35 42.980 -27.720 0.331 1.00 0.00 H new ATOM 0 HA THR A 35 42.117 -25.291 1.639 1.00 0.00 H new ATOM 0 HB THR A 35 40.137 -26.657 2.252 1.00 0.00 H new ATOM 0 HG1 THR A 35 40.041 -28.835 1.390 1.00 0.00 H new ATOM 0 HG21 THR A 35 39.305 -27.064 -0.036 1.00 0.00 H new ATOM 0 HG22 THR A 35 40.176 -25.517 0.082 1.00 0.00 H new ATOM 0 HG23 THR A 35 40.966 -26.929 -0.659 1.00 0.00 H new ATOM 523 N ALA A 36 42.009 -26.109 4.139 1.00 0.00 N ATOM 524 CA ALA A 36 42.345 -26.354 5.536 1.00 0.00 C ATOM 525 C ALA A 36 42.234 -27.836 5.875 1.00 0.00 C ATOM 526 O ALA A 36 42.967 -28.345 6.721 1.00 0.00 O ATOM 527 CB ALA A 36 41.445 -25.532 6.447 1.00 0.00 C ATOM 0 H ALA A 36 41.250 -25.443 3.998 1.00 0.00 H new ATOM 0 HA ALA A 36 43.379 -26.049 5.695 1.00 0.00 H new ATOM 0 HB1 ALA A 36 41.707 -25.725 7.487 1.00 0.00 H new ATOM 0 HB2 ALA A 36 41.578 -24.472 6.230 1.00 0.00 H new ATOM 0 HB3 ALA A 36 40.405 -25.810 6.277 1.00 0.00 H new ATOM 533 N ASN A 37 41.310 -28.523 5.210 1.00 0.00 N ATOM 534 CA ASN A 37 41.102 -29.948 5.443 1.00 0.00 C ATOM 535 C ASN A 37 42.036 -30.783 4.573 1.00 0.00 C ATOM 536 O ASN A 37 42.349 -31.928 4.901 1.00 0.00 O ATOM 537 CB ASN A 37 39.647 -30.325 5.158 1.00 0.00 C ATOM 538 CG ASN A 37 39.026 -31.125 6.286 1.00 0.00 C ATOM 539 OD1 ASN A 37 39.719 -31.839 7.011 1.00 0.00 O ATOM 540 ND2 ASN A 37 37.712 -31.009 6.440 1.00 0.00 N ATOM 0 H ASN A 37 40.694 -28.116 4.506 1.00 0.00 H new ATOM 0 HA ASN A 37 41.326 -30.157 6.489 1.00 0.00 H new ATOM 0 HB2 ASN A 37 39.065 -29.418 4.996 1.00 0.00 H new ATOM 0 HB3 ASN A 37 39.598 -30.904 4.236 1.00 0.00 H new ATOM 0 HD21 ASN A 37 37.238 -31.523 7.182 1.00 0.00 H new ATOM 0 HD22 ASN A 37 37.177 -30.405 5.816 1.00 0.00 H new ATOM 547 N HIS A 38 42.479 -30.202 3.462 1.00 0.00 N ATOM 548 CA HIS A 38 43.378 -30.893 2.545 1.00 0.00 C ATOM 549 C HIS A 38 42.729 -32.160 1.998 1.00 0.00 C ATOM 550 O HIS A 38 43.339 -33.229 1.992 1.00 0.00 O ATOM 551 CB HIS A 38 44.690 -31.242 3.249 1.00 0.00 C ATOM 552 CG HIS A 38 45.307 -30.085 3.974 1.00 0.00 C ATOM 553 ND1 HIS A 38 46.151 -29.180 3.366 1.00 0.00 N ATOM 554 CD2 HIS A 38 45.197 -29.687 5.263 1.00 0.00 C ATOM 555 CE1 HIS A 38 46.535 -28.277 4.250 1.00 0.00 C ATOM 556 NE2 HIS A 38 45.969 -28.562 5.409 1.00 0.00 N ATOM 0 H HIS A 38 42.230 -29.255 3.176 1.00 0.00 H new ATOM 0 HA HIS A 38 43.588 -30.224 1.710 1.00 0.00 H new ATOM 0 HB2 HIS A 38 44.509 -32.050 3.958 1.00 0.00 H new ATOM 0 HB3 HIS A 38 45.399 -31.618 2.512 1.00 0.00 H new ATOM 0 HD2 HIS A 38 44.611 -30.166 6.033 1.00 0.00 H new ATOM 0 HE1 HIS A 38 47.199 -27.447 4.058 1.00 0.00 H new ATOM 0 HE2 HIS A 38 46.087 -28.032 6.272 1.00 0.00 H new ATOM 564 N ASP A 39 41.488 -32.032 1.540 1.00 0.00 N ATOM 565 CA ASP A 39 40.755 -33.167 0.990 1.00 0.00 C ATOM 566 C ASP A 39 40.446 -32.950 -0.488 1.00 0.00 C ATOM 567 O ASP A 39 40.297 -33.906 -1.249 1.00 0.00 O ATOM 568 CB ASP A 39 39.458 -33.389 1.769 1.00 0.00 C ATOM 569 CG ASP A 39 39.443 -34.715 2.503 1.00 0.00 C ATOM 570 OD1 ASP A 39 39.910 -34.758 3.661 1.00 0.00 O ATOM 571 OD2 ASP A 39 38.963 -35.710 1.920 1.00 0.00 O ATOM 0 H ASP A 39 40.969 -31.154 1.539 1.00 0.00 H new ATOM 0 HA ASP A 39 41.382 -34.054 1.084 1.00 0.00 H new ATOM 0 HB2 ASP A 39 39.325 -32.579 2.486 1.00 0.00 H new ATOM 0 HB3 ASP A 39 38.613 -33.348 1.081 1.00 0.00 H new ATOM 576 N LYS A 40 40.349 -31.686 -0.887 1.00 0.00 N ATOM 577 CA LYS A 40 40.057 -31.341 -2.273 1.00 0.00 C ATOM 578 C LYS A 40 41.138 -30.431 -2.847 1.00 0.00 C ATOM 579 O LYS A 40 41.886 -29.797 -2.103 1.00 0.00 O ATOM 580 CB LYS A 40 38.692 -30.656 -2.374 1.00 0.00 C ATOM 581 CG LYS A 40 37.527 -31.628 -2.439 1.00 0.00 C ATOM 582 CD LYS A 40 36.217 -30.955 -2.065 1.00 0.00 C ATOM 583 CE LYS A 40 35.368 -31.845 -1.171 1.00 0.00 C ATOM 584 NZ LYS A 40 33.999 -32.040 -1.723 1.00 0.00 N ATOM 0 H LYS A 40 40.469 -30.883 -0.269 1.00 0.00 H new ATOM 0 HA LYS A 40 40.037 -32.263 -2.854 1.00 0.00 H new ATOM 0 HB2 LYS A 40 38.559 -30.000 -1.514 1.00 0.00 H new ATOM 0 HB3 LYS A 40 38.677 -30.024 -3.262 1.00 0.00 H new ATOM 0 HG2 LYS A 40 37.451 -32.040 -3.445 1.00 0.00 H new ATOM 0 HG3 LYS A 40 37.712 -32.465 -1.766 1.00 0.00 H new ATOM 0 HD2 LYS A 40 36.423 -30.015 -1.554 1.00 0.00 H new ATOM 0 HD3 LYS A 40 35.661 -30.711 -2.970 1.00 0.00 H new ATOM 0 HE2 LYS A 40 35.854 -32.814 -1.055 1.00 0.00 H new ATOM 0 HE3 LYS A 40 35.299 -31.402 -0.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 33.451 -32.652 -1.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 33.525 -31.118 -1.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 34.063 -32.486 -2.660 1.00 0.00 H new ATOM 598 N GLU A 41 41.213 -30.371 -4.173 1.00 0.00 N ATOM 599 CA GLU A 41 42.203 -29.537 -4.844 1.00 0.00 C ATOM 600 C GLU A 41 41.534 -28.362 -5.551 1.00 0.00 C ATOM 601 O GLU A 41 40.380 -28.451 -5.972 1.00 0.00 O ATOM 602 CB GLU A 41 43.001 -30.366 -5.853 1.00 0.00 C ATOM 603 CG GLU A 41 43.503 -31.686 -5.294 1.00 0.00 C ATOM 604 CD GLU A 41 42.885 -32.886 -5.986 1.00 0.00 C ATOM 605 OE1 GLU A 41 43.025 -32.995 -7.222 1.00 0.00 O ATOM 606 OE2 GLU A 41 42.262 -33.715 -5.291 1.00 0.00 O ATOM 0 H GLU A 41 40.601 -30.889 -4.803 1.00 0.00 H new ATOM 0 HA GLU A 41 42.883 -29.145 -4.088 1.00 0.00 H new ATOM 0 HB2 GLU A 41 42.375 -30.564 -6.723 1.00 0.00 H new ATOM 0 HB3 GLU A 41 43.853 -29.780 -6.199 1.00 0.00 H new ATOM 0 HG2 GLU A 41 44.587 -31.731 -5.397 1.00 0.00 H new ATOM 0 HG3 GLU A 41 43.282 -31.732 -4.228 1.00 0.00 H new ATOM 613 N ILE A 42 42.267 -27.260 -5.677 1.00 0.00 N ATOM 614 CA ILE A 42 41.746 -26.068 -6.333 1.00 0.00 C ATOM 615 C ILE A 42 42.540 -25.742 -7.594 1.00 0.00 C ATOM 616 O ILE A 42 43.741 -26.002 -7.668 1.00 0.00 O ATOM 617 CB ILE A 42 41.775 -24.849 -5.392 1.00 0.00 C ATOM 618 CG1 ILE A 42 41.154 -25.206 -4.040 1.00 0.00 C ATOM 619 CG2 ILE A 42 41.044 -23.674 -6.024 1.00 0.00 C ATOM 620 CD1 ILE A 42 39.686 -25.563 -4.126 1.00 0.00 C ATOM 0 H ILE A 42 43.223 -27.169 -5.333 1.00 0.00 H new ATOM 0 HA ILE A 42 40.712 -26.284 -6.603 1.00 0.00 H new ATOM 0 HB ILE A 42 42.813 -24.560 -5.228 1.00 0.00 H new ATOM 0 HG12 ILE A 42 41.699 -26.046 -3.609 1.00 0.00 H new ATOM 0 HG13 ILE A 42 41.276 -24.363 -3.359 1.00 0.00 H new ATOM 0 HG21 ILE A 42 41.073 -22.820 -5.347 1.00 0.00 H new ATOM 0 HG22 ILE A 42 41.527 -23.408 -6.964 1.00 0.00 H new ATOM 0 HG23 ILE A 42 40.007 -23.951 -6.215 1.00 0.00 H new ATOM 0 HD11 ILE A 42 39.312 -25.805 -3.131 1.00 0.00 H new ATOM 0 HD12 ILE A 42 39.129 -24.717 -4.528 1.00 0.00 H new ATOM 0 HD13 ILE A 42 39.559 -26.425 -4.781 1.00 0.00 H new ATOM 632 N PHE A 43 41.862 -25.168 -8.582 1.00 0.00 N ATOM 633 CA PHE A 43 42.505 -24.805 -9.840 1.00 0.00 C ATOM 634 C PHE A 43 42.198 -23.357 -10.209 1.00 0.00 C ATOM 635 O PHE A 43 41.037 -22.978 -10.371 1.00 0.00 O ATOM 636 CB PHE A 43 42.043 -25.738 -10.961 1.00 0.00 C ATOM 637 CG PHE A 43 42.600 -25.378 -12.309 1.00 0.00 C ATOM 638 CD1 PHE A 43 43.811 -25.900 -12.734 1.00 0.00 C ATOM 639 CD2 PHE A 43 41.913 -24.518 -13.150 1.00 0.00 C ATOM 640 CE1 PHE A 43 44.327 -25.569 -13.973 1.00 0.00 C ATOM 641 CE2 PHE A 43 42.424 -24.184 -14.390 1.00 0.00 C ATOM 642 CZ PHE A 43 43.632 -24.711 -14.803 1.00 0.00 C ATOM 0 H PHE A 43 40.868 -24.944 -8.536 1.00 0.00 H new ATOM 0 HA PHE A 43 43.583 -24.908 -9.712 1.00 0.00 H new ATOM 0 HB2 PHE A 43 42.336 -26.759 -10.717 1.00 0.00 H new ATOM 0 HB3 PHE A 43 40.954 -25.722 -11.011 1.00 0.00 H new ATOM 0 HD1 PHE A 43 44.358 -26.573 -12.090 1.00 0.00 H new ATOM 0 HD2 PHE A 43 40.967 -24.104 -12.833 1.00 0.00 H new ATOM 0 HE1 PHE A 43 45.273 -25.981 -14.292 1.00 0.00 H new ATOM 0 HE2 PHE A 43 41.879 -23.511 -15.036 1.00 0.00 H new ATOM 0 HZ PHE A 43 44.032 -24.453 -15.772 1.00 0.00 H new ATOM 652 N PHE A 44 43.246 -22.551 -10.340 1.00 0.00 N ATOM 653 CA PHE A 44 43.090 -21.143 -10.689 1.00 0.00 C ATOM 654 C PHE A 44 44.062 -20.746 -11.796 1.00 0.00 C ATOM 655 O PHE A 44 45.238 -21.111 -11.766 1.00 0.00 O ATOM 656 CB PHE A 44 43.315 -20.263 -9.458 1.00 0.00 C ATOM 657 CG PHE A 44 44.753 -20.184 -9.032 1.00 0.00 C ATOM 658 CD1 PHE A 44 45.281 -21.115 -8.152 1.00 0.00 C ATOM 659 CD2 PHE A 44 45.578 -19.180 -9.513 1.00 0.00 C ATOM 660 CE1 PHE A 44 46.604 -21.044 -7.758 1.00 0.00 C ATOM 661 CE2 PHE A 44 46.902 -19.104 -9.123 1.00 0.00 C ATOM 662 CZ PHE A 44 47.416 -20.038 -8.245 1.00 0.00 C ATOM 0 H PHE A 44 44.213 -22.848 -10.210 1.00 0.00 H new ATOM 0 HA PHE A 44 42.073 -20.995 -11.052 1.00 0.00 H new ATOM 0 HB2 PHE A 44 42.951 -19.257 -9.669 1.00 0.00 H new ATOM 0 HB3 PHE A 44 42.720 -20.650 -8.631 1.00 0.00 H new ATOM 0 HD1 PHE A 44 44.652 -21.905 -7.770 1.00 0.00 H new ATOM 0 HD2 PHE A 44 45.182 -18.448 -10.201 1.00 0.00 H new ATOM 0 HE1 PHE A 44 47.003 -21.775 -7.070 1.00 0.00 H new ATOM 0 HE2 PHE A 44 47.534 -18.315 -9.504 1.00 0.00 H new ATOM 0 HZ PHE A 44 48.450 -19.982 -7.940 1.00 0.00 H new ATOM 672 N HIS A 45 43.561 -19.997 -12.774 1.00 0.00 N ATOM 673 CA HIS A 45 44.384 -19.549 -13.892 1.00 0.00 C ATOM 674 C HIS A 45 45.215 -18.330 -13.501 1.00 0.00 C ATOM 675 O HIS A 45 44.770 -17.488 -12.722 1.00 0.00 O ATOM 676 CB HIS A 45 43.506 -19.218 -15.098 1.00 0.00 C ATOM 677 CG HIS A 45 43.498 -20.288 -16.146 1.00 0.00 C ATOM 678 ND1 HIS A 45 42.352 -20.703 -16.790 1.00 0.00 N ATOM 679 CD2 HIS A 45 44.507 -21.028 -16.662 1.00 0.00 C ATOM 680 CE1 HIS A 45 42.655 -21.653 -17.656 1.00 0.00 C ATOM 681 NE2 HIS A 45 43.957 -21.869 -17.598 1.00 0.00 N ATOM 0 H HIS A 45 42.590 -19.688 -12.815 1.00 0.00 H new ATOM 0 HA HIS A 45 45.063 -20.359 -14.159 1.00 0.00 H new ATOM 0 HB2 HIS A 45 42.485 -19.047 -14.757 1.00 0.00 H new ATOM 0 HB3 HIS A 45 43.853 -18.286 -15.545 1.00 0.00 H new ATOM 0 HD2 HIS A 45 45.550 -20.968 -16.389 1.00 0.00 H new ATOM 0 HE1 HIS A 45 41.957 -22.166 -18.302 1.00 0.00 H new ATOM 0 HE2 HIS A 45 44.470 -22.550 -18.158 1.00 0.00 H new ATOM 689 N TYR A 46 46.422 -18.244 -14.048 1.00 0.00 N ATOM 690 CA TYR A 46 47.316 -17.130 -13.754 1.00 0.00 C ATOM 691 C TYR A 46 46.649 -15.796 -14.078 1.00 0.00 C ATOM 692 O TYR A 46 46.893 -14.790 -13.413 1.00 0.00 O ATOM 693 CB TYR A 46 48.616 -17.268 -14.548 1.00 0.00 C ATOM 694 CG TYR A 46 49.759 -17.842 -13.743 1.00 0.00 C ATOM 695 CD1 TYR A 46 49.566 -18.937 -12.909 1.00 0.00 C ATOM 696 CD2 TYR A 46 51.032 -17.290 -13.814 1.00 0.00 C ATOM 697 CE1 TYR A 46 50.608 -19.465 -12.171 1.00 0.00 C ATOM 698 CE2 TYR A 46 52.079 -17.812 -13.080 1.00 0.00 C ATOM 699 CZ TYR A 46 51.862 -18.899 -12.260 1.00 0.00 C ATOM 700 OH TYR A 46 52.903 -19.421 -11.526 1.00 0.00 O ATOM 0 H TYR A 46 46.804 -18.932 -14.697 1.00 0.00 H new ATOM 0 HA TYR A 46 47.545 -17.153 -12.688 1.00 0.00 H new ATOM 0 HB2 TYR A 46 48.437 -17.905 -15.414 1.00 0.00 H new ATOM 0 HB3 TYR A 46 48.906 -16.288 -14.927 1.00 0.00 H new ATOM 0 HD1 TYR A 46 48.585 -19.383 -12.837 1.00 0.00 H new ATOM 0 HD2 TYR A 46 51.206 -16.438 -14.454 1.00 0.00 H new ATOM 0 HE1 TYR A 46 50.441 -20.316 -11.528 1.00 0.00 H new ATOM 0 HE2 TYR A 46 53.063 -17.371 -13.148 1.00 0.00 H new ATOM 0 HH TYR A 46 53.202 -20.260 -11.934 1.00 0.00 H new ATOM 710 N SER A 47 45.804 -15.798 -15.104 1.00 0.00 N ATOM 711 CA SER A 47 45.103 -14.589 -15.520 1.00 0.00 C ATOM 712 C SER A 47 44.041 -14.199 -14.497 1.00 0.00 C ATOM 713 O SER A 47 43.692 -13.026 -14.367 1.00 0.00 O ATOM 714 CB SER A 47 44.456 -14.795 -16.891 1.00 0.00 C ATOM 715 OG SER A 47 43.677 -13.671 -17.261 1.00 0.00 O ATOM 0 H SER A 47 45.588 -16.624 -15.663 1.00 0.00 H new ATOM 0 HA SER A 47 45.831 -13.781 -15.588 1.00 0.00 H new ATOM 0 HB2 SER A 47 45.229 -14.968 -17.639 1.00 0.00 H new ATOM 0 HB3 SER A 47 43.828 -15.686 -16.870 1.00 0.00 H new ATOM 0 HG SER A 47 43.276 -13.827 -18.141 1.00 0.00 H new ATOM 721 N GLU A 48 43.531 -15.191 -13.774 1.00 0.00 N ATOM 722 CA GLU A 48 42.508 -14.952 -12.763 1.00 0.00 C ATOM 723 C GLU A 48 43.118 -14.335 -11.507 1.00 0.00 C ATOM 724 O GLU A 48 42.445 -13.622 -10.763 1.00 0.00 O ATOM 725 CB GLU A 48 41.795 -16.258 -12.408 1.00 0.00 C ATOM 726 CG GLU A 48 41.137 -16.935 -13.599 1.00 0.00 C ATOM 727 CD GLU A 48 39.817 -16.293 -13.980 1.00 0.00 C ATOM 728 OE1 GLU A 48 39.841 -15.174 -14.535 1.00 0.00 O ATOM 729 OE2 GLU A 48 38.761 -16.908 -13.723 1.00 0.00 O ATOM 0 H GLU A 48 43.810 -16.168 -13.870 1.00 0.00 H new ATOM 0 HA GLU A 48 41.782 -14.251 -13.176 1.00 0.00 H new ATOM 0 HB2 GLU A 48 42.514 -16.945 -11.962 1.00 0.00 H new ATOM 0 HB3 GLU A 48 41.037 -16.054 -11.652 1.00 0.00 H new ATOM 0 HG2 GLU A 48 41.814 -16.899 -14.452 1.00 0.00 H new ATOM 0 HG3 GLU A 48 40.972 -17.987 -13.368 1.00 0.00 H new ATOM 736 N PHE A 49 44.396 -14.616 -11.278 1.00 0.00 N ATOM 737 CA PHE A 49 45.097 -14.091 -10.112 1.00 0.00 C ATOM 738 C PHE A 49 45.463 -12.623 -10.312 1.00 0.00 C ATOM 739 O PHE A 49 46.035 -12.249 -11.336 1.00 0.00 O ATOM 740 CB PHE A 49 46.360 -14.910 -9.838 1.00 0.00 C ATOM 741 CG PHE A 49 46.980 -14.626 -8.500 1.00 0.00 C ATOM 742 CD1 PHE A 49 47.786 -13.515 -8.317 1.00 0.00 C ATOM 743 CD2 PHE A 49 46.758 -15.472 -7.425 1.00 0.00 C ATOM 744 CE1 PHE A 49 48.358 -13.250 -7.087 1.00 0.00 C ATOM 745 CE2 PHE A 49 47.327 -15.213 -6.193 1.00 0.00 C ATOM 746 CZ PHE A 49 48.129 -14.101 -6.023 1.00 0.00 C ATOM 0 H PHE A 49 44.968 -15.204 -11.884 1.00 0.00 H new ATOM 0 HA PHE A 49 44.429 -14.167 -9.254 1.00 0.00 H new ATOM 0 HB2 PHE A 49 46.116 -15.971 -9.899 1.00 0.00 H new ATOM 0 HB3 PHE A 49 47.092 -14.706 -10.619 1.00 0.00 H new ATOM 0 HD1 PHE A 49 47.970 -12.847 -9.146 1.00 0.00 H new ATOM 0 HD2 PHE A 49 46.133 -16.344 -7.552 1.00 0.00 H new ATOM 0 HE1 PHE A 49 48.983 -12.379 -6.958 1.00 0.00 H new ATOM 0 HE2 PHE A 49 47.145 -15.880 -5.363 1.00 0.00 H new ATOM 0 HZ PHE A 49 48.576 -13.898 -5.061 1.00 0.00 H new ATOM 756 N SER A 50 45.128 -11.796 -9.327 1.00 0.00 N ATOM 757 CA SER A 50 45.417 -10.369 -9.396 1.00 0.00 C ATOM 758 C SER A 50 46.497 -9.984 -8.390 1.00 0.00 C ATOM 759 O SER A 50 46.261 -9.970 -7.183 1.00 0.00 O ATOM 760 CB SER A 50 44.147 -9.557 -9.133 1.00 0.00 C ATOM 761 OG SER A 50 44.454 -8.196 -8.883 1.00 0.00 O ATOM 0 H SER A 50 44.656 -12.090 -8.472 1.00 0.00 H new ATOM 0 HA SER A 50 45.782 -10.145 -10.398 1.00 0.00 H new ATOM 0 HB2 SER A 50 43.480 -9.631 -9.992 1.00 0.00 H new ATOM 0 HB3 SER A 50 43.614 -9.976 -8.279 1.00 0.00 H new ATOM 0 HG SER A 50 43.626 -7.698 -8.720 1.00 0.00 H new ATOM 767 N GLY A 51 47.686 -9.671 -8.898 1.00 0.00 N ATOM 768 CA GLY A 51 48.786 -9.290 -8.032 1.00 0.00 C ATOM 769 C GLY A 51 50.119 -9.819 -8.521 1.00 0.00 C ATOM 770 O GLY A 51 50.435 -9.724 -9.707 1.00 0.00 O ATOM 0 H GLY A 51 47.906 -9.675 -9.894 1.00 0.00 H new ATOM 0 HA2 GLY A 51 48.832 -8.203 -7.966 1.00 0.00 H new ATOM 0 HA3 GLY A 51 48.598 -9.663 -7.025 1.00 0.00 H new ATOM 774 N ASP A 52 50.904 -10.378 -7.606 1.00 0.00 N ATOM 775 CA ASP A 52 52.212 -10.924 -7.950 1.00 0.00 C ATOM 776 C ASP A 52 52.206 -12.446 -7.857 1.00 0.00 C ATOM 777 O ASP A 52 52.629 -13.019 -6.853 1.00 0.00 O ATOM 778 CB ASP A 52 53.288 -10.348 -7.029 1.00 0.00 C ATOM 779 CG ASP A 52 53.209 -8.838 -6.920 1.00 0.00 C ATOM 780 OD1 ASP A 52 52.690 -8.202 -7.861 1.00 0.00 O ATOM 781 OD2 ASP A 52 53.667 -8.292 -5.894 1.00 0.00 O ATOM 0 H ASP A 52 50.657 -10.465 -6.620 1.00 0.00 H new ATOM 0 HA ASP A 52 52.437 -10.641 -8.978 1.00 0.00 H new ATOM 0 HB2 ASP A 52 53.186 -10.787 -6.037 1.00 0.00 H new ATOM 0 HB3 ASP A 52 54.272 -10.631 -7.403 1.00 0.00 H new ATOM 786 N VAL A 53 51.724 -13.097 -8.911 1.00 0.00 N ATOM 787 CA VAL A 53 51.663 -14.553 -8.948 1.00 0.00 C ATOM 788 C VAL A 53 53.053 -15.157 -9.115 1.00 0.00 C ATOM 789 O VAL A 53 53.303 -16.289 -8.701 1.00 0.00 O ATOM 790 CB VAL A 53 50.759 -15.048 -10.093 1.00 0.00 C ATOM 791 CG1 VAL A 53 51.370 -14.703 -11.443 1.00 0.00 C ATOM 792 CG2 VAL A 53 50.521 -16.546 -9.974 1.00 0.00 C ATOM 0 H VAL A 53 51.370 -12.639 -9.751 1.00 0.00 H new ATOM 0 HA VAL A 53 51.241 -14.877 -7.996 1.00 0.00 H new ATOM 0 HB VAL A 53 49.796 -14.543 -10.017 1.00 0.00 H new ATOM 0 HG11 VAL A 53 50.718 -15.060 -12.240 1.00 0.00 H new ATOM 0 HG12 VAL A 53 51.484 -13.622 -11.525 1.00 0.00 H new ATOM 0 HG13 VAL A 53 52.346 -15.179 -11.533 1.00 0.00 H new ATOM 0 HG21 VAL A 53 49.880 -16.879 -10.791 1.00 0.00 H new ATOM 0 HG22 VAL A 53 51.475 -17.071 -10.024 1.00 0.00 H new ATOM 0 HG23 VAL A 53 50.037 -16.763 -9.022 1.00 0.00 H new ATOM 802 N ASP A 54 53.954 -14.394 -9.724 1.00 0.00 N ATOM 803 CA ASP A 54 55.321 -14.853 -9.945 1.00 0.00 C ATOM 804 C ASP A 54 56.124 -14.810 -8.649 1.00 0.00 C ATOM 805 O ASP A 54 57.026 -15.621 -8.439 1.00 0.00 O ATOM 806 CB ASP A 54 56.003 -13.996 -11.011 1.00 0.00 C ATOM 807 CG ASP A 54 55.128 -13.785 -12.232 1.00 0.00 C ATOM 808 OD1 ASP A 54 54.315 -12.837 -12.222 1.00 0.00 O ATOM 809 OD2 ASP A 54 55.257 -14.567 -13.196 1.00 0.00 O ATOM 0 H ASP A 54 53.763 -13.455 -10.073 1.00 0.00 H new ATOM 0 HA ASP A 54 55.280 -15.885 -10.292 1.00 0.00 H new ATOM 0 HB2 ASP A 54 56.264 -13.028 -10.583 1.00 0.00 H new ATOM 0 HB3 ASP A 54 56.936 -14.472 -11.314 1.00 0.00 H new ATOM 814 N SER A 55 55.791 -13.857 -7.783 1.00 0.00 N ATOM 815 CA SER A 55 56.485 -13.705 -6.510 1.00 0.00 C ATOM 816 C SER A 55 56.006 -14.745 -5.502 1.00 0.00 C ATOM 817 O SER A 55 56.744 -15.134 -4.595 1.00 0.00 O ATOM 818 CB SER A 55 56.266 -12.298 -5.951 1.00 0.00 C ATOM 819 OG SER A 55 54.996 -12.187 -5.333 1.00 0.00 O ATOM 0 H SER A 55 55.045 -13.179 -7.940 1.00 0.00 H new ATOM 0 HA SER A 55 57.550 -13.858 -6.685 1.00 0.00 H new ATOM 0 HB2 SER A 55 57.047 -12.065 -5.228 1.00 0.00 H new ATOM 0 HB3 SER A 55 56.348 -11.567 -6.755 1.00 0.00 H new ATOM 0 HG SER A 55 54.316 -12.599 -5.906 1.00 0.00 H new ATOM 825 N LEU A 56 54.766 -15.192 -5.667 1.00 0.00 N ATOM 826 CA LEU A 56 54.186 -16.188 -4.773 1.00 0.00 C ATOM 827 C LEU A 56 55.095 -17.407 -4.653 1.00 0.00 C ATOM 828 O LEU A 56 55.915 -17.671 -5.533 1.00 0.00 O ATOM 829 CB LEU A 56 52.807 -16.614 -5.278 1.00 0.00 C ATOM 830 CG LEU A 56 51.608 -16.030 -4.528 1.00 0.00 C ATOM 831 CD1 LEU A 56 50.306 -16.474 -5.176 1.00 0.00 C ATOM 832 CD2 LEU A 56 51.644 -16.440 -3.063 1.00 0.00 C ATOM 0 H LEU A 56 54.143 -14.880 -6.412 1.00 0.00 H new ATOM 0 HA LEU A 56 54.081 -15.737 -3.786 1.00 0.00 H new ATOM 0 HB2 LEU A 56 52.724 -16.335 -6.328 1.00 0.00 H new ATOM 0 HB3 LEU A 56 52.745 -17.701 -5.232 1.00 0.00 H new ATOM 0 HG LEU A 56 51.664 -14.943 -4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 56 49.464 -16.049 -4.629 1.00 0.00 H new ATOM 0 HD12 LEU A 56 50.278 -16.130 -6.210 1.00 0.00 H new ATOM 0 HD13 LEU A 56 50.241 -17.562 -5.154 1.00 0.00 H new ATOM 0 HD21 LEU A 56 50.784 -16.016 -2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 56 51.612 -17.527 -2.989 1.00 0.00 H new ATOM 0 HD23 LEU A 56 52.562 -16.071 -2.604 1.00 0.00 H new ATOM 844 N GLU A 57 54.942 -18.148 -3.560 1.00 0.00 N ATOM 845 CA GLU A 57 55.749 -19.340 -3.327 1.00 0.00 C ATOM 846 C GLU A 57 54.931 -20.422 -2.627 1.00 0.00 C ATOM 847 O GLU A 57 53.750 -20.232 -2.335 1.00 0.00 O ATOM 848 CB GLU A 57 56.981 -18.994 -2.488 1.00 0.00 C ATOM 849 CG GLU A 57 56.645 -18.443 -1.112 1.00 0.00 C ATOM 850 CD GLU A 57 57.042 -19.387 0.007 1.00 0.00 C ATOM 851 OE1 GLU A 57 58.183 -19.893 -0.021 1.00 0.00 O ATOM 852 OE2 GLU A 57 56.211 -19.617 0.910 1.00 0.00 O ATOM 0 H GLU A 57 54.267 -17.944 -2.823 1.00 0.00 H new ATOM 0 HA GLU A 57 56.074 -19.722 -4.295 1.00 0.00 H new ATOM 0 HB2 GLU A 57 57.594 -19.888 -2.372 1.00 0.00 H new ATOM 0 HB3 GLU A 57 57.583 -18.262 -3.026 1.00 0.00 H new ATOM 0 HG2 GLU A 57 57.152 -17.488 -0.974 1.00 0.00 H new ATOM 0 HG3 GLU A 57 55.574 -18.247 -1.055 1.00 0.00 H new ATOM 859 N LEU A 58 55.568 -21.558 -2.362 1.00 0.00 N ATOM 860 CA LEU A 58 54.901 -22.671 -1.696 1.00 0.00 C ATOM 861 C LEU A 58 54.779 -22.416 -0.198 1.00 0.00 C ATOM 862 O LEU A 58 55.773 -22.172 0.484 1.00 0.00 O ATOM 863 CB LEU A 58 55.667 -23.972 -1.943 1.00 0.00 C ATOM 864 CG LEU A 58 56.084 -24.241 -3.390 1.00 0.00 C ATOM 865 CD1 LEU A 58 56.975 -25.471 -3.468 1.00 0.00 C ATOM 866 CD2 LEU A 58 54.858 -24.412 -4.275 1.00 0.00 C ATOM 0 H LEU A 58 56.545 -21.732 -2.598 1.00 0.00 H new ATOM 0 HA LEU A 58 53.898 -22.762 -2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 58 56.563 -23.966 -1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 58 55.050 -24.804 -1.603 1.00 0.00 H new ATOM 0 HG LEU A 58 56.651 -23.383 -3.750 1.00 0.00 H new ATOM 0 HD11 LEU A 58 57.262 -25.647 -4.505 1.00 0.00 H new ATOM 0 HD12 LEU A 58 57.870 -25.311 -2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 58 56.433 -26.338 -3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 58 55.173 -24.603 -5.301 1.00 0.00 H new ATOM 0 HD22 LEU A 58 54.264 -25.253 -3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 58 54.257 -23.503 -4.243 1.00 0.00 H new ATOM 878 N GLY A 59 53.551 -22.477 0.310 1.00 0.00 N ATOM 879 CA GLY A 59 53.322 -22.253 1.725 1.00 0.00 C ATOM 880 C GLY A 59 52.611 -20.942 1.997 1.00 0.00 C ATOM 881 O GLY A 59 51.953 -20.786 3.026 1.00 0.00 O ATOM 0 H GLY A 59 52.712 -22.678 -0.234 1.00 0.00 H new ATOM 0 HA2 GLY A 59 52.730 -23.074 2.129 1.00 0.00 H new ATOM 0 HA3 GLY A 59 54.277 -22.261 2.250 1.00 0.00 H new ATOM 885 N ASP A 60 52.743 -19.996 1.073 1.00 0.00 N ATOM 886 CA ASP A 60 52.109 -18.691 1.218 1.00 0.00 C ATOM 887 C ASP A 60 50.590 -18.827 1.258 1.00 0.00 C ATOM 888 O ASP A 60 50.035 -19.830 0.809 1.00 0.00 O ATOM 889 CB ASP A 60 52.521 -17.770 0.069 1.00 0.00 C ATOM 890 CG ASP A 60 53.417 -16.636 0.528 1.00 0.00 C ATOM 891 OD1 ASP A 60 54.130 -16.816 1.537 1.00 0.00 O ATOM 892 OD2 ASP A 60 53.403 -15.569 -0.120 1.00 0.00 O ATOM 0 H ASP A 60 53.284 -20.109 0.215 1.00 0.00 H new ATOM 0 HA ASP A 60 52.442 -18.255 2.160 1.00 0.00 H new ATOM 0 HB2 ASP A 60 53.039 -18.353 -0.692 1.00 0.00 H new ATOM 0 HB3 ASP A 60 51.628 -17.357 -0.399 1.00 0.00 H new ATOM 897 N MET A 61 49.924 -17.812 1.799 1.00 0.00 N ATOM 898 CA MET A 61 48.469 -17.819 1.897 1.00 0.00 C ATOM 899 C MET A 61 47.845 -16.989 0.780 1.00 0.00 C ATOM 900 O MET A 61 48.435 -16.015 0.312 1.00 0.00 O ATOM 901 CB MET A 61 48.026 -17.279 3.258 1.00 0.00 C ATOM 902 CG MET A 61 47.412 -18.336 4.161 1.00 0.00 C ATOM 903 SD MET A 61 47.218 -17.770 5.862 1.00 0.00 S ATOM 904 CE MET A 61 48.888 -17.968 6.477 1.00 0.00 C ATOM 0 H MET A 61 50.368 -16.975 2.176 1.00 0.00 H new ATOM 0 HA MET A 61 48.128 -18.849 1.794 1.00 0.00 H new ATOM 0 HB2 MET A 61 48.886 -16.838 3.762 1.00 0.00 H new ATOM 0 HB3 MET A 61 47.302 -16.479 3.104 1.00 0.00 H new ATOM 0 HG2 MET A 61 46.438 -18.625 3.765 1.00 0.00 H new ATOM 0 HG3 MET A 61 48.039 -19.228 4.148 1.00 0.00 H new ATOM 0 HE1 MET A 61 48.879 -18.622 7.349 1.00 0.00 H new ATOM 0 HE2 MET A 61 49.512 -18.408 5.699 1.00 0.00 H new ATOM 0 HE3 MET A 61 49.290 -16.995 6.758 1.00 0.00 H new ATOM 914 N VAL A 62 46.647 -17.381 0.356 1.00 0.00 N ATOM 915 CA VAL A 62 45.943 -16.672 -0.706 1.00 0.00 C ATOM 916 C VAL A 62 44.438 -16.674 -0.463 1.00 0.00 C ATOM 917 O VAL A 62 43.889 -17.629 0.085 1.00 0.00 O ATOM 918 CB VAL A 62 46.230 -17.297 -2.084 1.00 0.00 C ATOM 919 CG1 VAL A 62 47.661 -17.011 -2.513 1.00 0.00 C ATOM 920 CG2 VAL A 62 45.963 -18.795 -2.056 1.00 0.00 C ATOM 0 H VAL A 62 46.144 -18.185 0.732 1.00 0.00 H new ATOM 0 HA VAL A 62 46.309 -15.645 -0.698 1.00 0.00 H new ATOM 0 HB VAL A 62 45.560 -16.845 -2.815 1.00 0.00 H new ATOM 0 HG11 VAL A 62 47.845 -17.460 -3.489 1.00 0.00 H new ATOM 0 HG12 VAL A 62 47.814 -15.934 -2.575 1.00 0.00 H new ATOM 0 HG13 VAL A 62 48.351 -17.434 -1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 62 46.171 -19.220 -3.038 1.00 0.00 H new ATOM 0 HG22 VAL A 62 46.607 -19.266 -1.313 1.00 0.00 H new ATOM 0 HG23 VAL A 62 44.919 -18.974 -1.797 1.00 0.00 H new ATOM 930 N GLU A 63 43.777 -15.597 -0.875 1.00 0.00 N ATOM 931 CA GLU A 63 42.334 -15.474 -0.702 1.00 0.00 C ATOM 932 C GLU A 63 41.600 -15.805 -1.998 1.00 0.00 C ATOM 933 O GLU A 63 41.963 -15.321 -3.070 1.00 0.00 O ATOM 934 CB GLU A 63 41.971 -14.060 -0.244 1.00 0.00 C ATOM 935 CG GLU A 63 40.556 -13.939 0.296 1.00 0.00 C ATOM 936 CD GLU A 63 39.531 -13.718 -0.800 1.00 0.00 C ATOM 937 OE1 GLU A 63 39.826 -12.957 -1.745 1.00 0.00 O ATOM 938 OE2 GLU A 63 38.433 -14.308 -0.712 1.00 0.00 O ATOM 0 H GLU A 63 44.217 -14.798 -1.331 1.00 0.00 H new ATOM 0 HA GLU A 63 42.024 -16.186 0.063 1.00 0.00 H new ATOM 0 HB2 GLU A 63 42.673 -13.746 0.528 1.00 0.00 H new ATOM 0 HB3 GLU A 63 42.091 -13.374 -1.082 1.00 0.00 H new ATOM 0 HG2 GLU A 63 40.303 -14.844 0.848 1.00 0.00 H new ATOM 0 HG3 GLU A 63 40.510 -13.111 1.003 1.00 0.00 H new ATOM 945 N TYR A 64 40.566 -16.632 -1.891 1.00 0.00 N ATOM 946 CA TYR A 64 39.782 -17.030 -3.054 1.00 0.00 C ATOM 947 C TYR A 64 38.340 -17.336 -2.660 1.00 0.00 C ATOM 948 O TYR A 64 37.991 -17.322 -1.480 1.00 0.00 O ATOM 949 CB TYR A 64 40.410 -18.253 -3.724 1.00 0.00 C ATOM 950 CG TYR A 64 40.372 -19.499 -2.868 1.00 0.00 C ATOM 951 CD1 TYR A 64 39.273 -20.348 -2.893 1.00 0.00 C ATOM 952 CD2 TYR A 64 41.434 -19.826 -2.035 1.00 0.00 C ATOM 953 CE1 TYR A 64 39.233 -21.488 -2.112 1.00 0.00 C ATOM 954 CE2 TYR A 64 41.404 -20.964 -1.252 1.00 0.00 C ATOM 955 CZ TYR A 64 40.301 -21.791 -1.294 1.00 0.00 C ATOM 956 OH TYR A 64 40.266 -22.925 -0.515 1.00 0.00 O ATOM 0 H TYR A 64 40.251 -17.040 -1.011 1.00 0.00 H new ATOM 0 HA TYR A 64 39.778 -16.199 -3.760 1.00 0.00 H new ATOM 0 HB2 TYR A 64 39.890 -18.450 -4.661 1.00 0.00 H new ATOM 0 HB3 TYR A 64 41.446 -18.027 -3.976 1.00 0.00 H new ATOM 0 HD1 TYR A 64 38.436 -20.114 -3.533 1.00 0.00 H new ATOM 0 HD2 TYR A 64 42.298 -19.180 -1.999 1.00 0.00 H new ATOM 0 HE1 TYR A 64 38.371 -22.137 -2.142 1.00 0.00 H new ATOM 0 HE2 TYR A 64 42.239 -21.205 -0.611 1.00 0.00 H new ATOM 0 HH TYR A 64 41.096 -22.993 0.001 1.00 0.00 H new ATOM 966 N SER A 65 37.508 -17.614 -3.659 1.00 0.00 N ATOM 967 CA SER A 65 36.102 -17.921 -3.419 1.00 0.00 C ATOM 968 C SER A 65 35.660 -19.123 -4.248 1.00 0.00 C ATOM 969 O SER A 65 36.353 -19.541 -5.176 1.00 0.00 O ATOM 970 CB SER A 65 35.230 -16.709 -3.751 1.00 0.00 C ATOM 971 OG SER A 65 35.692 -15.549 -3.081 1.00 0.00 O ATOM 0 H SER A 65 37.783 -17.633 -4.641 1.00 0.00 H new ATOM 0 HA SER A 65 35.984 -18.166 -2.364 1.00 0.00 H new ATOM 0 HB2 SER A 65 35.235 -16.537 -4.827 1.00 0.00 H new ATOM 0 HB3 SER A 65 34.198 -16.911 -3.465 1.00 0.00 H new ATOM 0 HG SER A 65 35.119 -14.788 -3.311 1.00 0.00 H new ATOM 977 N LEU A 66 34.501 -19.674 -3.906 1.00 0.00 N ATOM 978 CA LEU A 66 33.964 -20.829 -4.618 1.00 0.00 C ATOM 979 C LEU A 66 32.508 -20.597 -5.012 1.00 0.00 C ATOM 980 O LEU A 66 31.797 -19.824 -4.371 1.00 0.00 O ATOM 981 CB LEU A 66 34.075 -22.084 -3.751 1.00 0.00 C ATOM 982 CG LEU A 66 35.491 -22.500 -3.350 1.00 0.00 C ATOM 983 CD1 LEU A 66 35.448 -23.556 -2.257 1.00 0.00 C ATOM 984 CD2 LEU A 66 36.259 -23.012 -4.560 1.00 0.00 C ATOM 0 H LEU A 66 33.915 -19.340 -3.141 1.00 0.00 H new ATOM 0 HA LEU A 66 34.550 -20.969 -5.527 1.00 0.00 H new ATOM 0 HB2 LEU A 66 33.493 -21.926 -2.843 1.00 0.00 H new ATOM 0 HB3 LEU A 66 33.612 -22.913 -4.286 1.00 0.00 H new ATOM 0 HG LEU A 66 36.010 -21.624 -2.960 1.00 0.00 H new ATOM 0 HD11 LEU A 66 36.465 -23.840 -1.985 1.00 0.00 H new ATOM 0 HD12 LEU A 66 34.937 -23.154 -1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 66 34.911 -24.433 -2.619 1.00 0.00 H new ATOM 0 HD21 LEU A 66 37.264 -23.303 -4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 66 35.742 -23.875 -4.980 1.00 0.00 H new ATOM 0 HD23 LEU A 66 36.321 -22.225 -5.311 1.00 0.00 H new ATOM 1117 N SER A 75 36.940 -24.960 -8.370 1.00 0.00 N ATOM 1118 CA SER A 75 38.053 -24.103 -8.760 1.00 0.00 C ATOM 1119 C SER A 75 37.940 -22.731 -8.102 1.00 0.00 C ATOM 1120 O SER A 75 36.851 -22.300 -7.723 1.00 0.00 O ATOM 1121 CB SER A 75 38.096 -23.948 -10.282 1.00 0.00 C ATOM 1122 OG SER A 75 37.163 -24.811 -10.909 1.00 0.00 O ATOM 0 HA SER A 75 38.976 -24.574 -8.423 1.00 0.00 H new ATOM 0 HB2 SER A 75 37.878 -22.915 -10.552 1.00 0.00 H new ATOM 0 HB3 SER A 75 39.100 -24.168 -10.645 1.00 0.00 H new ATOM 0 HG SER A 75 36.496 -25.104 -10.253 1.00 0.00 H new ATOM 1128 N ALA A 76 39.074 -22.051 -7.968 1.00 0.00 N ATOM 1129 CA ALA A 76 39.103 -20.728 -7.358 1.00 0.00 C ATOM 1130 C ALA A 76 38.984 -19.633 -8.413 1.00 0.00 C ATOM 1131 O ALA A 76 39.588 -19.721 -9.481 1.00 0.00 O ATOM 1132 CB ALA A 76 40.380 -20.548 -6.549 1.00 0.00 C ATOM 0 H ALA A 76 39.984 -22.395 -8.274 1.00 0.00 H new ATOM 0 HA ALA A 76 38.247 -20.645 -6.689 1.00 0.00 H new ATOM 0 HB1 ALA A 76 40.389 -19.555 -6.099 1.00 0.00 H new ATOM 0 HB2 ALA A 76 40.423 -21.303 -5.764 1.00 0.00 H new ATOM 0 HB3 ALA A 76 41.244 -20.657 -7.204 1.00 0.00 H new ATOM 1138 N GLU A 77 38.202 -18.603 -8.105 1.00 0.00 N ATOM 1139 CA GLU A 77 38.004 -17.493 -9.029 1.00 0.00 C ATOM 1140 C GLU A 77 38.433 -16.173 -8.394 1.00 0.00 C ATOM 1141 O GLU A 77 38.207 -15.940 -7.207 1.00 0.00 O ATOM 1142 CB GLU A 77 36.537 -17.412 -9.457 1.00 0.00 C ATOM 1143 CG GLU A 77 35.587 -17.091 -8.316 1.00 0.00 C ATOM 1144 CD GLU A 77 34.189 -16.752 -8.798 1.00 0.00 C ATOM 1145 OE1 GLU A 77 34.066 -16.140 -9.879 1.00 0.00 O ATOM 1146 OE2 GLU A 77 33.219 -17.099 -8.092 1.00 0.00 O ATOM 0 H GLU A 77 37.696 -18.514 -7.224 1.00 0.00 H new ATOM 0 HA GLU A 77 38.623 -17.671 -9.909 1.00 0.00 H new ATOM 0 HB2 GLU A 77 36.434 -16.650 -10.229 1.00 0.00 H new ATOM 0 HB3 GLU A 77 36.245 -18.362 -9.905 1.00 0.00 H new ATOM 0 HG2 GLU A 77 35.537 -17.944 -7.639 1.00 0.00 H new ATOM 0 HG3 GLU A 77 35.983 -16.252 -7.743 1.00 0.00 H new ATOM 1153 N LYS A 78 39.055 -15.314 -9.194 1.00 0.00 N ATOM 1154 CA LYS A 78 39.516 -14.017 -8.713 1.00 0.00 C ATOM 1155 C LYS A 78 40.377 -14.175 -7.464 1.00 0.00 C ATOM 1156 O LYS A 78 40.022 -13.693 -6.388 1.00 0.00 O ATOM 1157 CB LYS A 78 38.323 -13.107 -8.411 1.00 0.00 C ATOM 1158 CG LYS A 78 37.577 -12.650 -9.653 1.00 0.00 C ATOM 1159 CD LYS A 78 37.675 -11.146 -9.840 1.00 0.00 C ATOM 1160 CE LYS A 78 36.761 -10.404 -8.876 1.00 0.00 C ATOM 1161 NZ LYS A 78 35.327 -10.735 -9.106 1.00 0.00 N ATOM 0 H LYS A 78 39.252 -15.493 -10.179 1.00 0.00 H new ATOM 0 HA LYS A 78 40.122 -13.562 -9.496 1.00 0.00 H new ATOM 0 HB2 LYS A 78 37.631 -13.635 -7.755 1.00 0.00 H new ATOM 0 HB3 LYS A 78 38.674 -12.231 -7.865 1.00 0.00 H new ATOM 0 HG2 LYS A 78 37.985 -13.154 -10.529 1.00 0.00 H new ATOM 0 HG3 LYS A 78 36.529 -12.941 -9.577 1.00 0.00 H new ATOM 0 HD2 LYS A 78 38.705 -10.825 -9.686 1.00 0.00 H new ATOM 0 HD3 LYS A 78 37.411 -10.888 -10.865 1.00 0.00 H new ATOM 0 HE2 LYS A 78 37.032 -10.657 -7.851 1.00 0.00 H new ATOM 0 HE3 LYS A 78 36.909 -9.330 -8.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 34.729 -9.976 -8.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 35.152 -10.830 -10.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 35.097 -11.631 -8.630 1.00 0.00 H new ATOM 1175 N VAL A 79 41.511 -14.852 -7.613 1.00 0.00 N ATOM 1176 CA VAL A 79 42.424 -15.071 -6.498 1.00 0.00 C ATOM 1177 C VAL A 79 43.318 -13.857 -6.272 1.00 0.00 C ATOM 1178 O VAL A 79 43.772 -13.223 -7.224 1.00 0.00 O ATOM 1179 CB VAL A 79 43.309 -16.310 -6.732 1.00 0.00 C ATOM 1180 CG1 VAL A 79 44.154 -16.603 -5.501 1.00 0.00 C ATOM 1181 CG2 VAL A 79 42.454 -17.513 -7.100 1.00 0.00 C ATOM 0 H VAL A 79 41.819 -15.259 -8.496 1.00 0.00 H new ATOM 0 HA VAL A 79 41.809 -15.235 -5.613 1.00 0.00 H new ATOM 0 HB VAL A 79 43.982 -16.103 -7.564 1.00 0.00 H new ATOM 0 HG11 VAL A 79 44.773 -17.481 -5.685 1.00 0.00 H new ATOM 0 HG12 VAL A 79 44.794 -15.747 -5.287 1.00 0.00 H new ATOM 0 HG13 VAL A 79 43.502 -16.791 -4.648 1.00 0.00 H new ATOM 0 HG21 VAL A 79 43.095 -18.379 -7.262 1.00 0.00 H new ATOM 0 HG22 VAL A 79 41.756 -17.725 -6.290 1.00 0.00 H new ATOM 0 HG23 VAL A 79 41.897 -17.298 -8.012 1.00 0.00 H new ATOM 1191 N ASN A 80 43.566 -13.539 -5.006 1.00 0.00 N ATOM 1192 CA ASN A 80 44.406 -12.400 -4.655 1.00 0.00 C ATOM 1193 C ASN A 80 45.085 -12.619 -3.306 1.00 0.00 C ATOM 1194 O ASN A 80 44.442 -13.011 -2.331 1.00 0.00 O ATOM 1195 CB ASN A 80 43.572 -11.117 -4.616 1.00 0.00 C ATOM 1196 CG ASN A 80 42.642 -11.068 -3.419 1.00 0.00 C ATOM 1197 OD1 ASN A 80 43.094 -10.433 -2.344 1.00 0.00 O flip ATOM 1198 ND2 ASN A 80 41.531 -11.596 -3.461 1.00 0.00 N flip ATOM 0 H ASN A 80 43.197 -14.054 -4.206 1.00 0.00 H new ATOM 0 HA ASN A 80 45.178 -12.301 -5.418 1.00 0.00 H new ATOM 0 HB2 ASN A 80 44.238 -10.255 -4.591 1.00 0.00 H new ATOM 0 HB3 ASN A 80 42.986 -11.040 -5.532 1.00 0.00 H new ATOM 0 HD21 ASN A 80 41.225 -12.074 -4.309 1.00 0.00 H new ATOM 0 HD22 ASN A 80 40.916 -11.556 -2.648 1.00 0.00 H new ATOM 1205 N LYS A 81 46.388 -12.364 -3.257 1.00 0.00 N ATOM 1206 CA LYS A 81 47.155 -12.532 -2.029 1.00 0.00 C ATOM 1207 C LYS A 81 46.613 -11.632 -0.922 1.00 0.00 C ATOM 1208 O LYS A 81 46.285 -10.469 -1.158 1.00 0.00 O ATOM 1209 CB LYS A 81 48.632 -12.218 -2.278 1.00 0.00 C ATOM 1210 CG LYS A 81 49.530 -13.442 -2.235 1.00 0.00 C ATOM 1211 CD LYS A 81 50.949 -13.079 -1.834 1.00 0.00 C ATOM 1212 CE LYS A 81 51.652 -12.287 -2.926 1.00 0.00 C ATOM 1213 NZ LYS A 81 52.004 -10.912 -2.475 1.00 0.00 N ATOM 0 H LYS A 81 46.935 -12.040 -4.054 1.00 0.00 H new ATOM 0 HA LYS A 81 47.059 -13.570 -1.710 1.00 0.00 H new ATOM 0 HB2 LYS A 81 48.733 -11.737 -3.251 1.00 0.00 H new ATOM 0 HB3 LYS A 81 48.973 -11.501 -1.531 1.00 0.00 H new ATOM 0 HG2 LYS A 81 49.125 -14.166 -1.528 1.00 0.00 H new ATOM 0 HG3 LYS A 81 49.539 -13.922 -3.214 1.00 0.00 H new ATOM 0 HD2 LYS A 81 50.930 -12.494 -0.914 1.00 0.00 H new ATOM 0 HD3 LYS A 81 51.512 -13.988 -1.622 1.00 0.00 H new ATOM 0 HE2 LYS A 81 52.557 -12.812 -3.230 1.00 0.00 H new ATOM 0 HE3 LYS A 81 51.008 -12.228 -3.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 52.481 -10.405 -3.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 51.138 -10.402 -2.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 52.639 -10.968 -1.653 1.00 0.00 H new ATOM 1227 N THR A 82 46.524 -12.178 0.287 1.00 0.00 N ATOM 1228 CA THR A 82 46.023 -11.424 1.430 1.00 0.00 C ATOM 1229 C THR A 82 47.085 -11.302 2.516 1.00 0.00 C ATOM 1230 O THR A 82 47.125 -10.315 3.251 1.00 0.00 O ATOM 1231 CB THR A 82 44.766 -12.083 2.029 1.00 0.00 C ATOM 1232 OG1 THR A 82 44.307 -11.328 3.156 1.00 0.00 O ATOM 1233 CG2 THR A 82 45.055 -13.514 2.454 1.00 0.00 C ATOM 0 H THR A 82 46.792 -13.139 0.500 1.00 0.00 H new ATOM 0 HA THR A 82 45.765 -10.430 1.065 1.00 0.00 H new ATOM 0 HB THR A 82 43.991 -12.099 1.263 1.00 0.00 H new ATOM 0 HG1 THR A 82 43.507 -11.752 3.530 1.00 0.00 H new ATOM 0 HG21 THR A 82 44.152 -13.958 2.874 1.00 0.00 H new ATOM 0 HG22 THR A 82 45.375 -14.093 1.588 1.00 0.00 H new ATOM 0 HG23 THR A 82 45.845 -13.518 3.205 1.00 0.00 H new