USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=13 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 Set 1.1: A 45 HIS : no HE2:sc= 0.22 K(o=0.55,f=-1.4) USER MOD Set 1.2: A 47 SER OG : rot 180:sc= 0.327 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0031 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= 0.0912 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 38 HIS : no HD1:sc= -0.148 K(o=-0.15,f=-1.5) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 71:sc= 0.822 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 179:sc= 0 (180deg=-0.00114) 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 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.0298 X(o=-0.03,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -52:sc= 0.923 USER MOD ----------------------------------------------------------------- ATOM 231 N ARG A 18 34.207 -15.798 1.745 1.00 0.00 N ATOM 232 CA ARG A 18 35.662 -15.717 1.704 1.00 0.00 C ATOM 233 C ARG A 18 36.294 -16.975 2.294 1.00 0.00 C ATOM 234 O ARG A 18 35.797 -17.531 3.275 1.00 0.00 O ATOM 235 CB ARG A 18 36.148 -14.484 2.467 1.00 0.00 C ATOM 236 CG ARG A 18 35.706 -13.169 1.845 1.00 0.00 C ATOM 237 CD ARG A 18 36.519 -12.840 0.603 1.00 0.00 C ATOM 238 NE ARG A 18 36.937 -11.441 0.577 1.00 0.00 N ATOM 239 CZ ARG A 18 37.713 -10.923 -0.368 1.00 0.00 C ATOM 240 NH1 ARG A 18 38.153 -11.684 -1.361 1.00 0.00 N ATOM 241 NH2 ARG A 18 38.050 -9.640 -0.323 1.00 0.00 N ATOM 0 HA ARG A 18 35.966 -15.633 0.661 1.00 0.00 H new ATOM 0 HB2 ARG A 18 35.780 -14.533 3.492 1.00 0.00 H new ATOM 0 HB3 ARG A 18 37.237 -14.504 2.518 1.00 0.00 H new ATOM 0 HG2 ARG A 18 34.649 -13.225 1.585 1.00 0.00 H new ATOM 0 HG3 ARG A 18 35.813 -12.366 2.574 1.00 0.00 H new ATOM 0 HD2 ARG A 18 37.399 -13.482 0.565 1.00 0.00 H new ATOM 0 HD3 ARG A 18 35.927 -13.058 -0.286 1.00 0.00 H new ATOM 0 HE ARG A 18 36.615 -10.828 1.326 1.00 0.00 H new ATOM 0 HH11 ARG A 18 37.896 -12.670 -1.400 1.00 0.00 H new ATOM 0 HH12 ARG A 18 38.749 -11.283 -2.085 1.00 0.00 H new ATOM 0 HH21 ARG A 18 37.713 -9.051 0.438 1.00 0.00 H new ATOM 0 HH22 ARG A 18 38.646 -9.244 -1.050 1.00 0.00 H new ATOM 255 N LEU A 19 37.391 -17.419 1.690 1.00 0.00 N ATOM 256 CA LEU A 19 38.091 -18.611 2.155 1.00 0.00 C ATOM 257 C LEU A 19 39.597 -18.468 1.963 1.00 0.00 C ATOM 258 O LEU A 19 40.056 -17.695 1.121 1.00 0.00 O ATOM 259 CB LEU A 19 37.585 -19.847 1.409 1.00 0.00 C ATOM 260 CG LEU A 19 36.117 -20.212 1.633 1.00 0.00 C ATOM 261 CD1 LEU A 19 35.597 -21.064 0.485 1.00 0.00 C ATOM 262 CD2 LEU A 19 35.945 -20.939 2.959 1.00 0.00 C ATOM 0 H LEU A 19 37.815 -16.971 0.877 1.00 0.00 H new ATOM 0 HA LEU A 19 37.889 -18.729 3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 19 37.741 -19.692 0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 19 38.199 -20.699 1.700 1.00 0.00 H new ATOM 0 HG LEU A 19 35.535 -19.291 1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.551 -21.314 0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.684 -20.509 -0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 19 36.183 -21.981 0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.894 -21.191 3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 19 36.540 -21.852 2.953 1.00 0.00 H new ATOM 0 HD23 LEU A 19 36.278 -20.295 3.773 1.00 0.00 H new ATOM 274 N LEU A 20 40.362 -19.220 2.746 1.00 0.00 N ATOM 275 CA LEU A 20 41.818 -19.180 2.661 1.00 0.00 C ATOM 276 C LEU A 20 42.374 -20.522 2.197 1.00 0.00 C ATOM 277 O LEU A 20 41.650 -21.515 2.128 1.00 0.00 O ATOM 278 CB LEU A 20 42.418 -18.808 4.018 1.00 0.00 C ATOM 279 CG LEU A 20 42.736 -17.327 4.229 1.00 0.00 C ATOM 280 CD1 LEU A 20 43.266 -17.089 5.634 1.00 0.00 C ATOM 281 CD2 LEU A 20 43.737 -16.843 3.190 1.00 0.00 C ATOM 0 H LEU A 20 39.998 -19.865 3.447 1.00 0.00 H new ATOM 0 HA LEU A 20 42.093 -18.421 1.929 1.00 0.00 H new ATOM 0 HB2 LEU A 20 41.726 -19.125 4.798 1.00 0.00 H new ATOM 0 HB3 LEU A 20 43.336 -19.379 4.156 1.00 0.00 H new ATOM 0 HG LEU A 20 41.815 -16.757 4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 20 43.487 -16.030 5.765 1.00 0.00 H new ATOM 0 HD12 LEU A 20 42.516 -17.396 6.363 1.00 0.00 H new ATOM 0 HD13 LEU A 20 44.176 -17.670 5.783 1.00 0.00 H new ATOM 0 HD21 LEU A 20 43.951 -15.787 3.356 1.00 0.00 H new ATOM 0 HD22 LEU A 20 44.659 -17.418 3.277 1.00 0.00 H new ATOM 0 HD23 LEU A 20 43.319 -16.976 2.192 1.00 0.00 H new ATOM 293 N GLY A 21 43.665 -20.545 1.882 1.00 0.00 N ATOM 294 CA GLY A 21 44.297 -21.771 1.431 1.00 0.00 C ATOM 295 C GLY A 21 45.810 -21.679 1.435 1.00 0.00 C ATOM 296 O GLY A 21 46.380 -20.729 1.972 1.00 0.00 O ATOM 0 H GLY A 21 44.285 -19.736 1.931 1.00 0.00 H new ATOM 0 HA2 GLY A 21 43.985 -22.595 2.073 1.00 0.00 H new ATOM 0 HA3 GLY A 21 43.953 -22.004 0.423 1.00 0.00 H new ATOM 300 N TYR A 22 46.463 -22.669 0.836 1.00 0.00 N ATOM 301 CA TYR A 22 47.919 -22.698 0.777 1.00 0.00 C ATOM 302 C TYR A 22 48.399 -23.197 -0.583 1.00 0.00 C ATOM 303 O TYR A 22 47.928 -24.218 -1.085 1.00 0.00 O ATOM 304 CB TYR A 22 48.479 -23.591 1.886 1.00 0.00 C ATOM 305 CG TYR A 22 47.867 -23.325 3.243 1.00 0.00 C ATOM 306 CD1 TYR A 22 48.076 -22.118 3.897 1.00 0.00 C ATOM 307 CD2 TYR A 22 47.079 -24.282 3.871 1.00 0.00 C ATOM 308 CE1 TYR A 22 47.519 -21.871 5.137 1.00 0.00 C ATOM 309 CE2 TYR A 22 46.517 -24.044 5.110 1.00 0.00 C ATOM 310 CZ TYR A 22 46.741 -22.837 5.739 1.00 0.00 C ATOM 311 OH TYR A 22 46.183 -22.595 6.974 1.00 0.00 O ATOM 0 H TYR A 22 46.007 -23.462 0.385 1.00 0.00 H new ATOM 0 HA TYR A 22 48.283 -21.681 0.921 1.00 0.00 H new ATOM 0 HB2 TYR A 22 48.312 -24.635 1.620 1.00 0.00 H new ATOM 0 HB3 TYR A 22 49.558 -23.446 1.948 1.00 0.00 H new ATOM 0 HD1 TYR A 22 48.685 -21.359 3.428 1.00 0.00 H new ATOM 0 HD2 TYR A 22 46.903 -25.229 3.382 1.00 0.00 H new ATOM 0 HE1 TYR A 22 47.692 -20.927 5.632 1.00 0.00 H new ATOM 0 HE2 TYR A 22 45.906 -24.798 5.583 1.00 0.00 H new ATOM 0 HH TYR A 22 45.663 -23.376 7.257 1.00 0.00 H new ATOM 321 N VAL A 23 49.341 -22.469 -1.175 1.00 0.00 N ATOM 322 CA VAL A 23 49.888 -22.837 -2.475 1.00 0.00 C ATOM 323 C VAL A 23 50.507 -24.229 -2.437 1.00 0.00 C ATOM 324 O VAL A 23 51.598 -24.420 -1.901 1.00 0.00 O ATOM 325 CB VAL A 23 50.951 -21.826 -2.943 1.00 0.00 C ATOM 326 CG1 VAL A 23 51.399 -22.141 -4.363 1.00 0.00 C ATOM 327 CG2 VAL A 23 50.414 -20.406 -2.847 1.00 0.00 C ATOM 0 H VAL A 23 49.741 -21.621 -0.774 1.00 0.00 H new ATOM 0 HA VAL A 23 49.057 -22.832 -3.181 1.00 0.00 H new ATOM 0 HB VAL A 23 51.818 -21.907 -2.288 1.00 0.00 H new ATOM 0 HG11 VAL A 23 52.150 -21.416 -4.677 1.00 0.00 H new ATOM 0 HG12 VAL A 23 51.826 -23.143 -4.396 1.00 0.00 H new ATOM 0 HG13 VAL A 23 50.542 -22.089 -5.035 1.00 0.00 H new ATOM 0 HG21 VAL A 23 51.178 -19.705 -3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 23 49.530 -20.308 -3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 23 50.148 -20.187 -1.813 1.00 0.00 H new ATOM 337 N ALA A 24 49.804 -25.200 -3.011 1.00 0.00 N ATOM 338 CA ALA A 24 50.286 -26.575 -3.045 1.00 0.00 C ATOM 339 C ALA A 24 51.342 -26.760 -4.129 1.00 0.00 C ATOM 340 O ALA A 24 52.412 -27.317 -3.881 1.00 0.00 O ATOM 341 CB ALA A 24 49.127 -27.535 -3.266 1.00 0.00 C ATOM 0 H ALA A 24 48.898 -25.059 -3.459 1.00 0.00 H new ATOM 0 HA ALA A 24 50.748 -26.796 -2.083 1.00 0.00 H new ATOM 0 HB1 ALA A 24 49.502 -28.558 -3.289 1.00 0.00 H new ATOM 0 HB2 ALA A 24 48.408 -27.430 -2.454 1.00 0.00 H new ATOM 0 HB3 ALA A 24 48.640 -27.305 -4.214 1.00 0.00 H new ATOM 347 N THR A 25 51.036 -26.289 -5.334 1.00 0.00 N ATOM 348 CA THR A 25 51.958 -26.404 -6.457 1.00 0.00 C ATOM 349 C THR A 25 51.903 -25.164 -7.343 1.00 0.00 C ATOM 350 O THR A 25 50.823 -24.687 -7.693 1.00 0.00 O ATOM 351 CB THR A 25 51.649 -27.647 -7.313 1.00 0.00 C ATOM 352 OG1 THR A 25 51.412 -28.777 -6.467 1.00 0.00 O ATOM 353 CG2 THR A 25 52.798 -27.949 -8.262 1.00 0.00 C ATOM 0 H THR A 25 50.156 -25.824 -5.557 1.00 0.00 H new ATOM 0 HA THR A 25 52.958 -26.502 -6.036 1.00 0.00 H new ATOM 0 HB THR A 25 50.756 -27.442 -7.903 1.00 0.00 H new ATOM 0 HG1 THR A 25 51.215 -29.563 -7.018 1.00 0.00 H new ATOM 0 HG21 THR A 25 52.557 -28.831 -8.856 1.00 0.00 H new ATOM 0 HG22 THR A 25 52.957 -27.098 -8.924 1.00 0.00 H new ATOM 0 HG23 THR A 25 53.705 -28.136 -7.687 1.00 0.00 H new ATOM 361 N LEU A 26 53.073 -24.647 -7.702 1.00 0.00 N ATOM 362 CA LEU A 26 53.158 -23.463 -8.549 1.00 0.00 C ATOM 363 C LEU A 26 53.909 -23.769 -9.840 1.00 0.00 C ATOM 364 O LEU A 26 55.135 -23.882 -9.846 1.00 0.00 O ATOM 365 CB LEU A 26 53.852 -22.325 -7.799 1.00 0.00 C ATOM 366 CG LEU A 26 52.974 -21.127 -7.434 1.00 0.00 C ATOM 367 CD1 LEU A 26 53.687 -20.227 -6.436 1.00 0.00 C ATOM 368 CD2 LEU A 26 52.592 -20.345 -8.682 1.00 0.00 C ATOM 0 H LEU A 26 53.976 -25.029 -7.420 1.00 0.00 H new ATOM 0 HA LEU A 26 52.144 -23.156 -8.805 1.00 0.00 H new ATOM 0 HB2 LEU A 26 54.280 -22.729 -6.882 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.683 -21.969 -8.408 1.00 0.00 H new ATOM 0 HG LEU A 26 52.061 -21.499 -6.969 1.00 0.00 H new ATOM 0 HD11 LEU A 26 53.047 -19.380 -6.188 1.00 0.00 H new ATOM 0 HD12 LEU A 26 53.909 -20.792 -5.530 1.00 0.00 H new ATOM 0 HD13 LEU A 26 54.617 -19.863 -6.873 1.00 0.00 H new ATOM 0 HD21 LEU A 26 51.967 -19.496 -8.403 1.00 0.00 H new ATOM 0 HD22 LEU A 26 53.494 -19.984 -9.176 1.00 0.00 H new ATOM 0 HD23 LEU A 26 52.040 -20.993 -9.363 1.00 0.00 H new ATOM 380 N LYS A 27 53.166 -23.900 -10.934 1.00 0.00 N ATOM 381 CA LYS A 27 53.761 -24.190 -12.233 1.00 0.00 C ATOM 382 C LYS A 27 53.987 -22.907 -13.027 1.00 0.00 C ATOM 383 O LYS A 27 53.847 -21.805 -12.496 1.00 0.00 O ATOM 384 CB LYS A 27 52.864 -25.142 -13.027 1.00 0.00 C ATOM 385 CG LYS A 27 52.444 -26.375 -12.247 1.00 0.00 C ATOM 386 CD LYS A 27 53.623 -27.299 -11.988 1.00 0.00 C ATOM 387 CE LYS A 27 53.207 -28.761 -12.040 1.00 0.00 C ATOM 388 NZ LYS A 27 53.160 -29.275 -13.437 1.00 0.00 N ATOM 0 H LYS A 27 52.150 -23.810 -10.947 1.00 0.00 H new ATOM 0 HA LYS A 27 54.727 -24.667 -12.064 1.00 0.00 H new ATOM 0 HB2 LYS A 27 51.972 -24.604 -13.348 1.00 0.00 H new ATOM 0 HB3 LYS A 27 53.389 -25.455 -13.929 1.00 0.00 H new ATOM 0 HG2 LYS A 27 52.002 -26.073 -11.298 1.00 0.00 H new ATOM 0 HG3 LYS A 27 51.674 -26.912 -12.801 1.00 0.00 H new ATOM 0 HD2 LYS A 27 54.401 -27.114 -12.729 1.00 0.00 H new ATOM 0 HD3 LYS A 27 54.053 -27.077 -11.012 1.00 0.00 H new ATOM 0 HE2 LYS A 27 53.907 -29.359 -11.456 1.00 0.00 H new ATOM 0 HE3 LYS A 27 52.227 -28.876 -11.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 52.873 -30.274 -13.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 52.473 -28.721 -13.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 54.101 -29.189 -13.870 1.00 0.00 H new ATOM 402 N ASP A 28 54.334 -23.057 -14.300 1.00 0.00 N ATOM 403 CA ASP A 28 54.577 -21.910 -15.167 1.00 0.00 C ATOM 404 C ASP A 28 53.373 -21.645 -16.067 1.00 0.00 C ATOM 405 O ASP A 28 53.518 -21.455 -17.273 1.00 0.00 O ATOM 406 CB ASP A 28 55.825 -22.143 -16.020 1.00 0.00 C ATOM 407 CG ASP A 28 56.318 -20.872 -16.683 1.00 0.00 C ATOM 408 OD1 ASP A 28 55.582 -19.864 -16.654 1.00 0.00 O ATOM 409 OD2 ASP A 28 57.440 -20.886 -17.232 1.00 0.00 O ATOM 0 H ASP A 28 54.453 -23.962 -14.755 1.00 0.00 H new ATOM 0 HA ASP A 28 54.736 -21.036 -14.536 1.00 0.00 H new ATOM 0 HB2 ASP A 28 56.617 -22.554 -15.395 1.00 0.00 H new ATOM 0 HB3 ASP A 28 55.605 -22.887 -16.786 1.00 0.00 H new ATOM 414 N ASN A 29 52.186 -21.635 -15.470 1.00 0.00 N ATOM 415 CA ASN A 29 50.957 -21.396 -16.217 1.00 0.00 C ATOM 416 C ASN A 29 49.745 -21.409 -15.291 1.00 0.00 C ATOM 417 O ASN A 29 48.836 -20.589 -15.427 1.00 0.00 O ATOM 418 CB ASN A 29 50.787 -22.451 -17.312 1.00 0.00 C ATOM 419 CG ASN A 29 50.689 -21.838 -18.696 1.00 0.00 C ATOM 420 OD1 ASN A 29 49.735 -21.124 -19.005 1.00 0.00 O ATOM 421 ND2 ASN A 29 51.680 -22.114 -19.537 1.00 0.00 N ATOM 0 H ASN A 29 52.049 -21.790 -14.471 1.00 0.00 H new ATOM 0 HA ASN A 29 51.029 -20.411 -16.678 1.00 0.00 H new ATOM 0 HB2 ASN A 29 51.630 -23.141 -17.282 1.00 0.00 H new ATOM 0 HB3 ASN A 29 49.889 -23.036 -17.113 1.00 0.00 H new ATOM 0 HD21 ASN A 29 51.670 -21.729 -20.481 1.00 0.00 H new ATOM 0 HD22 ASN A 29 52.451 -22.711 -19.238 1.00 0.00 H new ATOM 428 N PHE A 30 49.738 -22.345 -14.348 1.00 0.00 N ATOM 429 CA PHE A 30 48.639 -22.466 -13.398 1.00 0.00 C ATOM 430 C PHE A 30 49.149 -22.895 -12.025 1.00 0.00 C ATOM 431 O PHE A 30 50.294 -23.323 -11.883 1.00 0.00 O ATOM 432 CB PHE A 30 47.605 -23.473 -13.907 1.00 0.00 C ATOM 433 CG PHE A 30 48.207 -24.774 -14.356 1.00 0.00 C ATOM 434 CD1 PHE A 30 48.690 -25.686 -13.431 1.00 0.00 C ATOM 435 CD2 PHE A 30 48.290 -25.086 -15.704 1.00 0.00 C ATOM 436 CE1 PHE A 30 49.244 -26.884 -13.841 1.00 0.00 C ATOM 437 CE2 PHE A 30 48.842 -26.282 -16.119 1.00 0.00 C ATOM 438 CZ PHE A 30 49.321 -27.182 -15.187 1.00 0.00 C ATOM 0 H PHE A 30 50.482 -23.031 -14.221 1.00 0.00 H new ATOM 0 HA PHE A 30 48.168 -21.488 -13.301 1.00 0.00 H new ATOM 0 HB2 PHE A 30 46.881 -23.670 -13.116 1.00 0.00 H new ATOM 0 HB3 PHE A 30 47.056 -23.030 -14.738 1.00 0.00 H new ATOM 0 HD1 PHE A 30 48.633 -25.458 -12.377 1.00 0.00 H new ATOM 0 HD2 PHE A 30 47.919 -24.386 -16.438 1.00 0.00 H new ATOM 0 HE1 PHE A 30 49.616 -27.586 -13.110 1.00 0.00 H new ATOM 0 HE2 PHE A 30 48.899 -26.514 -17.172 1.00 0.00 H new ATOM 0 HZ PHE A 30 49.755 -28.117 -15.510 1.00 0.00 H new ATOM 448 N GLY A 31 48.291 -22.777 -11.017 1.00 0.00 N ATOM 449 CA GLY A 31 48.673 -23.155 -9.669 1.00 0.00 C ATOM 450 C GLY A 31 47.594 -23.951 -8.962 1.00 0.00 C ATOM 451 O GLY A 31 46.485 -24.100 -9.477 1.00 0.00 O ATOM 0 H GLY A 31 47.338 -22.426 -11.110 1.00 0.00 H new ATOM 0 HA2 GLY A 31 49.589 -23.744 -9.706 1.00 0.00 H new ATOM 0 HA3 GLY A 31 48.895 -22.257 -9.092 1.00 0.00 H new ATOM 455 N PHE A 32 47.918 -24.464 -7.780 1.00 0.00 N ATOM 456 CA PHE A 32 46.968 -25.252 -7.003 1.00 0.00 C ATOM 457 C PHE A 32 46.926 -24.777 -5.553 1.00 0.00 C ATOM 458 O PHE A 32 47.942 -24.359 -4.996 1.00 0.00 O ATOM 459 CB PHE A 32 47.340 -26.735 -7.055 1.00 0.00 C ATOM 460 CG PHE A 32 47.092 -27.369 -8.394 1.00 0.00 C ATOM 461 CD1 PHE A 32 45.848 -27.893 -8.707 1.00 0.00 C ATOM 462 CD2 PHE A 32 48.102 -27.440 -9.339 1.00 0.00 C ATOM 463 CE1 PHE A 32 45.617 -28.477 -9.938 1.00 0.00 C ATOM 464 CE2 PHE A 32 47.877 -28.022 -10.572 1.00 0.00 C ATOM 465 CZ PHE A 32 46.633 -28.541 -10.873 1.00 0.00 C ATOM 0 H PHE A 32 48.831 -24.348 -7.339 1.00 0.00 H new ATOM 0 HA PHE A 32 45.979 -25.117 -7.440 1.00 0.00 H new ATOM 0 HB2 PHE A 32 48.394 -26.846 -6.799 1.00 0.00 H new ATOM 0 HB3 PHE A 32 46.769 -27.271 -6.297 1.00 0.00 H new ATOM 0 HD1 PHE A 32 45.050 -27.844 -7.981 1.00 0.00 H new ATOM 0 HD2 PHE A 32 49.077 -27.036 -9.110 1.00 0.00 H new ATOM 0 HE1 PHE A 32 44.643 -28.883 -10.169 1.00 0.00 H new ATOM 0 HE2 PHE A 32 48.673 -28.071 -11.300 1.00 0.00 H new ATOM 0 HZ PHE A 32 46.455 -28.996 -11.836 1.00 0.00 H new ATOM 475 N ILE A 33 45.745 -24.844 -4.949 1.00 0.00 N ATOM 476 CA ILE A 33 45.570 -24.422 -3.565 1.00 0.00 C ATOM 477 C ILE A 33 44.989 -25.548 -2.716 1.00 0.00 C ATOM 478 O ILE A 33 43.915 -26.069 -3.011 1.00 0.00 O ATOM 479 CB ILE A 33 44.650 -23.191 -3.464 1.00 0.00 C ATOM 480 CG1 ILE A 33 45.218 -22.033 -4.286 1.00 0.00 C ATOM 481 CG2 ILE A 33 44.474 -22.779 -2.010 1.00 0.00 C ATOM 482 CD1 ILE A 33 44.230 -20.912 -4.515 1.00 0.00 C ATOM 0 H ILE A 33 44.895 -25.187 -5.396 1.00 0.00 H new ATOM 0 HA ILE A 33 46.558 -24.159 -3.188 1.00 0.00 H new ATOM 0 HB ILE A 33 43.672 -23.453 -3.868 1.00 0.00 H new ATOM 0 HG12 ILE A 33 46.096 -21.634 -3.778 1.00 0.00 H new ATOM 0 HG13 ILE A 33 45.553 -22.413 -5.251 1.00 0.00 H new ATOM 0 HG21 ILE A 33 43.821 -21.908 -1.955 1.00 0.00 H new ATOM 0 HG22 ILE A 33 44.029 -23.602 -1.450 1.00 0.00 H new ATOM 0 HG23 ILE A 33 45.445 -22.532 -1.582 1.00 0.00 H new ATOM 0 HD11 ILE A 33 44.702 -20.126 -5.105 1.00 0.00 H new ATOM 0 HD12 ILE A 33 43.362 -21.296 -5.051 1.00 0.00 H new ATOM 0 HD13 ILE A 33 43.913 -20.505 -3.555 1.00 0.00 H new ATOM 494 N GLU A 34 45.708 -25.916 -1.660 1.00 0.00 N ATOM 495 CA GLU A 34 45.263 -26.979 -0.767 1.00 0.00 C ATOM 496 C GLU A 34 44.551 -26.403 0.454 1.00 0.00 C ATOM 497 O GLU A 34 45.090 -25.547 1.155 1.00 0.00 O ATOM 498 CB GLU A 34 46.452 -27.833 -0.321 1.00 0.00 C ATOM 499 CG GLU A 34 46.419 -29.252 -0.863 1.00 0.00 C ATOM 500 CD GLU A 34 47.337 -30.188 -0.100 1.00 0.00 C ATOM 501 OE1 GLU A 34 48.187 -29.690 0.667 1.00 0.00 O ATOM 502 OE2 GLU A 34 47.205 -31.418 -0.271 1.00 0.00 O ATOM 0 H GLU A 34 46.600 -25.494 -1.402 1.00 0.00 H new ATOM 0 HA GLU A 34 44.559 -27.606 -1.314 1.00 0.00 H new ATOM 0 HB2 GLU A 34 47.375 -27.351 -0.643 1.00 0.00 H new ATOM 0 HB3 GLU A 34 46.474 -27.869 0.768 1.00 0.00 H new ATOM 0 HG2 GLU A 34 45.398 -29.632 -0.816 1.00 0.00 H new ATOM 0 HG3 GLU A 34 46.708 -29.243 -1.914 1.00 0.00 H new ATOM 509 N THR A 35 43.334 -26.878 0.701 1.00 0.00 N ATOM 510 CA THR A 35 42.546 -26.410 1.834 1.00 0.00 C ATOM 511 C THR A 35 43.193 -26.810 3.156 1.00 0.00 C ATOM 512 O THR A 35 44.126 -27.612 3.183 1.00 0.00 O ATOM 513 CB THR A 35 41.111 -26.968 1.789 1.00 0.00 C ATOM 514 OG1 THR A 35 41.134 -28.392 1.933 1.00 0.00 O ATOM 515 CG2 THR A 35 40.427 -26.595 0.483 1.00 0.00 C ATOM 0 H THR A 35 42.873 -27.587 0.131 1.00 0.00 H new ATOM 0 HA THR A 35 42.508 -25.323 1.765 1.00 0.00 H new ATOM 0 HB THR A 35 40.548 -26.530 2.613 1.00 0.00 H new ATOM 0 HG1 THR A 35 40.218 -28.738 1.905 1.00 0.00 H new ATOM 0 HG21 THR A 35 39.415 -27.000 0.474 1.00 0.00 H new ATOM 0 HG22 THR A 35 40.385 -25.510 0.392 1.00 0.00 H new ATOM 0 HG23 THR A 35 40.991 -27.008 -0.354 1.00 0.00 H new ATOM 523 N ALA A 36 42.692 -26.245 4.249 1.00 0.00 N ATOM 524 CA ALA A 36 43.219 -26.545 5.574 1.00 0.00 C ATOM 525 C ALA A 36 43.067 -28.026 5.904 1.00 0.00 C ATOM 526 O ALA A 36 43.888 -28.600 6.617 1.00 0.00 O ATOM 527 CB ALA A 36 42.522 -25.693 6.625 1.00 0.00 C ATOM 0 H ALA A 36 41.921 -25.577 4.243 1.00 0.00 H new ATOM 0 HA ALA A 36 44.283 -26.307 5.577 1.00 0.00 H new ATOM 0 HB1 ALA A 36 42.926 -25.928 7.610 1.00 0.00 H new ATOM 0 HB2 ALA A 36 42.688 -24.638 6.407 1.00 0.00 H new ATOM 0 HB3 ALA A 36 41.452 -25.902 6.612 1.00 0.00 H new ATOM 533 N ASN A 37 42.010 -28.638 5.380 1.00 0.00 N ATOM 534 CA ASN A 37 41.749 -30.052 5.621 1.00 0.00 C ATOM 535 C ASN A 37 42.528 -30.923 4.640 1.00 0.00 C ATOM 536 O ASN A 37 42.810 -32.089 4.917 1.00 0.00 O ATOM 537 CB ASN A 37 40.252 -30.344 5.501 1.00 0.00 C ATOM 538 CG ASN A 37 39.544 -30.296 6.841 1.00 0.00 C ATOM 539 OD1 ASN A 37 39.815 -31.106 7.728 1.00 0.00 O ATOM 540 ND2 ASN A 37 38.631 -29.344 6.995 1.00 0.00 N ATOM 0 H ASN A 37 41.321 -28.177 4.786 1.00 0.00 H new ATOM 0 HA ASN A 37 42.079 -30.289 6.633 1.00 0.00 H new ATOM 0 HB2 ASN A 37 39.796 -29.619 4.826 1.00 0.00 H new ATOM 0 HB3 ASN A 37 40.111 -31.328 5.054 1.00 0.00 H new ATOM 0 HD21 ASN A 37 38.122 -29.263 7.875 1.00 0.00 H new ATOM 0 HD22 ASN A 37 38.438 -28.694 6.233 1.00 0.00 H new ATOM 547 N HIS A 38 42.873 -30.349 3.492 1.00 0.00 N ATOM 548 CA HIS A 38 43.621 -31.072 2.469 1.00 0.00 C ATOM 549 C HIS A 38 42.824 -32.268 1.958 1.00 0.00 C ATOM 550 O HIS A 38 43.330 -33.390 1.912 1.00 0.00 O ATOM 551 CB HIS A 38 44.965 -31.541 3.027 1.00 0.00 C ATOM 552 CG HIS A 38 45.716 -30.471 3.759 1.00 0.00 C ATOM 553 ND1 HIS A 38 46.320 -29.407 3.124 1.00 0.00 N ATOM 554 CD2 HIS A 38 45.957 -30.305 5.080 1.00 0.00 C ATOM 555 CE1 HIS A 38 46.901 -28.633 4.023 1.00 0.00 C ATOM 556 NE2 HIS A 38 46.696 -29.156 5.218 1.00 0.00 N ATOM 0 H HIS A 38 42.647 -29.385 3.246 1.00 0.00 H new ATOM 0 HA HIS A 38 43.799 -30.393 1.635 1.00 0.00 H new ATOM 0 HB2 HIS A 38 44.796 -32.381 3.701 1.00 0.00 H new ATOM 0 HB3 HIS A 38 45.581 -31.909 2.207 1.00 0.00 H new ATOM 0 HD2 HIS A 38 45.629 -30.955 5.878 1.00 0.00 H new ATOM 0 HE1 HIS A 38 47.450 -27.727 3.816 1.00 0.00 H new ATOM 0 HE2 HIS A 38 47.032 -28.769 6.100 1.00 0.00 H new ATOM 564 N ASP A 39 41.576 -32.022 1.574 1.00 0.00 N ATOM 565 CA ASP A 39 40.709 -33.078 1.066 1.00 0.00 C ATOM 566 C ASP A 39 40.346 -32.828 -0.395 1.00 0.00 C ATOM 567 O ASP A 39 40.062 -33.762 -1.144 1.00 0.00 O ATOM 568 CB ASP A 39 39.438 -33.175 1.911 1.00 0.00 C ATOM 569 CG ASP A 39 38.765 -34.529 1.791 1.00 0.00 C ATOM 570 OD1 ASP A 39 39.244 -35.361 0.992 1.00 0.00 O ATOM 571 OD2 ASP A 39 37.761 -34.756 2.497 1.00 0.00 O ATOM 0 H ASP A 39 41.142 -31.099 1.605 1.00 0.00 H new ATOM 0 HA ASP A 39 41.251 -34.021 1.130 1.00 0.00 H new ATOM 0 HB2 ASP A 39 39.685 -32.986 2.956 1.00 0.00 H new ATOM 0 HB3 ASP A 39 38.740 -32.397 1.603 1.00 0.00 H new ATOM 576 N LYS A 40 40.357 -31.560 -0.792 1.00 0.00 N ATOM 577 CA LYS A 40 40.029 -31.185 -2.163 1.00 0.00 C ATOM 578 C LYS A 40 41.038 -30.178 -2.707 1.00 0.00 C ATOM 579 O LYS A 40 41.477 -29.278 -1.992 1.00 0.00 O ATOM 580 CB LYS A 40 38.619 -30.595 -2.229 1.00 0.00 C ATOM 581 CG LYS A 40 38.020 -30.606 -3.624 1.00 0.00 C ATOM 582 CD LYS A 40 37.028 -29.471 -3.814 1.00 0.00 C ATOM 583 CE LYS A 40 35.645 -29.993 -4.173 1.00 0.00 C ATOM 584 NZ LYS A 40 35.555 -30.386 -5.607 1.00 0.00 N ATOM 0 H LYS A 40 40.589 -30.775 -0.184 1.00 0.00 H new ATOM 0 HA LYS A 40 40.069 -32.084 -2.779 1.00 0.00 H new ATOM 0 HB2 LYS A 40 37.968 -31.156 -1.559 1.00 0.00 H new ATOM 0 HB3 LYS A 40 38.646 -29.569 -1.862 1.00 0.00 H new ATOM 0 HG2 LYS A 40 38.816 -30.522 -4.364 1.00 0.00 H new ATOM 0 HG3 LYS A 40 37.521 -31.559 -3.799 1.00 0.00 H new ATOM 0 HD2 LYS A 40 36.969 -28.881 -2.899 1.00 0.00 H new ATOM 0 HD3 LYS A 40 37.382 -28.805 -4.601 1.00 0.00 H new ATOM 0 HE2 LYS A 40 35.407 -30.852 -3.546 1.00 0.00 H new ATOM 0 HE3 LYS A 40 34.901 -29.226 -3.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 34.597 -30.736 -5.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 35.757 -29.561 -6.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 36.248 -31.136 -5.806 1.00 0.00 H new ATOM 598 N GLU A 41 41.399 -30.337 -3.976 1.00 0.00 N ATOM 599 CA GLU A 41 42.356 -29.440 -4.615 1.00 0.00 C ATOM 600 C GLU A 41 41.637 -28.346 -5.398 1.00 0.00 C ATOM 601 O GLU A 41 40.498 -28.524 -5.831 1.00 0.00 O ATOM 602 CB GLU A 41 43.281 -30.226 -5.548 1.00 0.00 C ATOM 603 CG GLU A 41 43.857 -31.482 -4.916 1.00 0.00 C ATOM 604 CD GLU A 41 44.759 -32.250 -5.863 1.00 0.00 C ATOM 605 OE1 GLU A 41 45.737 -31.657 -6.363 1.00 0.00 O ATOM 606 OE2 GLU A 41 44.486 -33.445 -6.104 1.00 0.00 O ATOM 0 H GLU A 41 41.044 -31.077 -4.582 1.00 0.00 H new ATOM 0 HA GLU A 41 42.953 -28.971 -3.833 1.00 0.00 H new ATOM 0 HB2 GLU A 41 42.728 -30.502 -6.446 1.00 0.00 H new ATOM 0 HB3 GLU A 41 44.100 -29.580 -5.863 1.00 0.00 H new ATOM 0 HG2 GLU A 41 44.421 -31.210 -4.024 1.00 0.00 H new ATOM 0 HG3 GLU A 41 43.041 -32.129 -4.593 1.00 0.00 H new ATOM 613 N ILE A 42 42.310 -27.214 -5.576 1.00 0.00 N ATOM 614 CA ILE A 42 41.736 -26.091 -6.307 1.00 0.00 C ATOM 615 C ILE A 42 42.551 -25.774 -7.556 1.00 0.00 C ATOM 616 O ILE A 42 43.776 -25.898 -7.560 1.00 0.00 O ATOM 617 CB ILE A 42 41.654 -24.829 -5.427 1.00 0.00 C ATOM 618 CG1 ILE A 42 41.007 -25.161 -4.081 1.00 0.00 C ATOM 619 CG2 ILE A 42 40.875 -23.736 -6.141 1.00 0.00 C ATOM 620 CD1 ILE A 42 39.573 -25.630 -4.199 1.00 0.00 C ATOM 0 H ILE A 42 43.253 -27.050 -5.224 1.00 0.00 H new ATOM 0 HA ILE A 42 40.728 -26.387 -6.599 1.00 0.00 H new ATOM 0 HB ILE A 42 42.665 -24.466 -5.242 1.00 0.00 H new ATOM 0 HG12 ILE A 42 41.594 -25.934 -3.586 1.00 0.00 H new ATOM 0 HG13 ILE A 42 41.041 -24.278 -3.443 1.00 0.00 H new ATOM 0 HG21 ILE A 42 40.826 -22.851 -5.507 1.00 0.00 H new ATOM 0 HG22 ILE A 42 41.375 -23.485 -7.076 1.00 0.00 H new ATOM 0 HG23 ILE A 42 39.865 -24.088 -6.352 1.00 0.00 H new ATOM 0 HD11 ILE A 42 39.178 -25.847 -3.206 1.00 0.00 H new ATOM 0 HD12 ILE A 42 38.972 -24.849 -4.666 1.00 0.00 H new ATOM 0 HD13 ILE A 42 39.534 -26.532 -4.810 1.00 0.00 H new ATOM 632 N PHE A 43 41.863 -25.363 -8.616 1.00 0.00 N ATOM 633 CA PHE A 43 42.522 -25.027 -9.872 1.00 0.00 C ATOM 634 C PHE A 43 42.199 -23.595 -10.290 1.00 0.00 C ATOM 635 O PHE A 43 41.058 -23.276 -10.623 1.00 0.00 O ATOM 636 CB PHE A 43 42.095 -26.000 -10.973 1.00 0.00 C ATOM 637 CG PHE A 43 42.602 -25.623 -12.336 1.00 0.00 C ATOM 638 CD1 PHE A 43 43.856 -26.031 -12.761 1.00 0.00 C ATOM 639 CD2 PHE A 43 41.824 -24.860 -13.192 1.00 0.00 C ATOM 640 CE1 PHE A 43 44.325 -25.686 -14.014 1.00 0.00 C ATOM 641 CE2 PHE A 43 42.288 -24.513 -14.447 1.00 0.00 C ATOM 642 CZ PHE A 43 43.540 -24.925 -14.858 1.00 0.00 C ATOM 0 H PHE A 43 40.849 -25.255 -8.630 1.00 0.00 H new ATOM 0 HA PHE A 43 43.598 -25.109 -9.722 1.00 0.00 H new ATOM 0 HB2 PHE A 43 42.454 -26.998 -10.724 1.00 0.00 H new ATOM 0 HB3 PHE A 43 41.007 -26.050 -11.000 1.00 0.00 H new ATOM 0 HD1 PHE A 43 44.474 -26.626 -12.105 1.00 0.00 H new ATOM 0 HD2 PHE A 43 40.845 -24.533 -12.875 1.00 0.00 H new ATOM 0 HE1 PHE A 43 45.304 -26.011 -14.333 1.00 0.00 H new ATOM 0 HE2 PHE A 43 41.671 -23.920 -15.106 1.00 0.00 H new ATOM 0 HZ PHE A 43 43.905 -24.653 -15.837 1.00 0.00 H new ATOM 652 N PHE A 44 43.213 -22.736 -10.269 1.00 0.00 N ATOM 653 CA PHE A 44 43.038 -21.338 -10.644 1.00 0.00 C ATOM 654 C PHE A 44 43.993 -20.953 -11.771 1.00 0.00 C ATOM 655 O PHE A 44 45.176 -21.291 -11.740 1.00 0.00 O ATOM 656 CB PHE A 44 43.269 -20.431 -9.434 1.00 0.00 C ATOM 657 CG PHE A 44 44.705 -20.366 -8.998 1.00 0.00 C ATOM 658 CD1 PHE A 44 45.231 -21.332 -8.156 1.00 0.00 C ATOM 659 CD2 PHE A 44 45.528 -19.338 -9.430 1.00 0.00 C ATOM 660 CE1 PHE A 44 46.552 -21.275 -7.754 1.00 0.00 C ATOM 661 CE2 PHE A 44 46.849 -19.277 -9.031 1.00 0.00 C ATOM 662 CZ PHE A 44 47.362 -20.246 -8.191 1.00 0.00 C ATOM 0 H PHE A 44 44.164 -22.984 -9.996 1.00 0.00 H new ATOM 0 HA PHE A 44 42.015 -21.208 -10.998 1.00 0.00 H new ATOM 0 HB2 PHE A 44 42.925 -19.425 -9.673 1.00 0.00 H new ATOM 0 HB3 PHE A 44 42.661 -20.787 -8.602 1.00 0.00 H new ATOM 0 HD1 PHE A 44 44.602 -22.139 -7.810 1.00 0.00 H new ATOM 0 HD2 PHE A 44 45.132 -18.576 -10.086 1.00 0.00 H new ATOM 0 HE1 PHE A 44 46.950 -22.035 -7.098 1.00 0.00 H new ATOM 0 HE2 PHE A 44 47.481 -18.472 -9.376 1.00 0.00 H new ATOM 0 HZ PHE A 44 48.394 -20.199 -7.877 1.00 0.00 H new ATOM 672 N HIS A 45 43.469 -20.245 -12.766 1.00 0.00 N ATOM 673 CA HIS A 45 44.273 -19.813 -13.904 1.00 0.00 C ATOM 674 C HIS A 45 45.049 -18.543 -13.570 1.00 0.00 C ATOM 675 O HIS A 45 44.571 -17.691 -12.821 1.00 0.00 O ATOM 676 CB HIS A 45 43.383 -19.576 -15.124 1.00 0.00 C ATOM 677 CG HIS A 45 43.863 -20.271 -16.361 1.00 0.00 C ATOM 678 ND1 HIS A 45 44.491 -19.614 -17.398 1.00 0.00 N ATOM 679 CD2 HIS A 45 43.806 -21.574 -16.722 1.00 0.00 C ATOM 680 CE1 HIS A 45 44.798 -20.483 -18.344 1.00 0.00 C ATOM 681 NE2 HIS A 45 44.394 -21.680 -17.959 1.00 0.00 N ATOM 0 H HIS A 45 42.491 -19.958 -12.808 1.00 0.00 H new ATOM 0 HA HIS A 45 44.987 -20.604 -14.134 1.00 0.00 H new ATOM 0 HB2 HIS A 45 42.372 -19.914 -14.897 1.00 0.00 H new ATOM 0 HB3 HIS A 45 43.325 -18.505 -15.318 1.00 0.00 H new ATOM 0 HD1 HIS A 45 44.688 -18.614 -17.430 1.00 0.00 H new ATOM 0 HD2 HIS A 45 43.378 -22.380 -16.145 1.00 0.00 H new ATOM 0 HE1 HIS A 45 45.295 -20.254 -19.275 1.00 0.00 H new ATOM 689 N TYR A 46 46.247 -18.423 -14.130 1.00 0.00 N ATOM 690 CA TYR A 46 47.091 -17.258 -13.890 1.00 0.00 C ATOM 691 C TYR A 46 46.354 -15.970 -14.244 1.00 0.00 C ATOM 692 O TYR A 46 46.599 -14.919 -13.652 1.00 0.00 O ATOM 693 CB TYR A 46 48.382 -17.361 -14.703 1.00 0.00 C ATOM 694 CG TYR A 46 49.563 -17.863 -13.903 1.00 0.00 C ATOM 695 CD1 TYR A 46 49.433 -18.942 -13.038 1.00 0.00 C ATOM 696 CD2 TYR A 46 50.809 -17.258 -14.014 1.00 0.00 C ATOM 697 CE1 TYR A 46 50.509 -19.403 -12.304 1.00 0.00 C ATOM 698 CE2 TYR A 46 51.891 -17.713 -13.286 1.00 0.00 C ATOM 699 CZ TYR A 46 51.736 -18.786 -12.432 1.00 0.00 C ATOM 700 OH TYR A 46 52.811 -19.243 -11.705 1.00 0.00 O ATOM 0 H TYR A 46 46.656 -19.119 -14.754 1.00 0.00 H new ATOM 0 HA TYR A 46 47.340 -17.233 -12.829 1.00 0.00 H new ATOM 0 HB2 TYR A 46 48.217 -18.029 -15.549 1.00 0.00 H new ATOM 0 HB3 TYR A 46 48.622 -16.380 -15.113 1.00 0.00 H new ATOM 0 HD1 TYR A 46 48.474 -19.429 -12.937 1.00 0.00 H new ATOM 0 HD2 TYR A 46 50.934 -16.418 -14.681 1.00 0.00 H new ATOM 0 HE1 TYR A 46 50.390 -20.242 -11.634 1.00 0.00 H new ATOM 0 HE2 TYR A 46 52.853 -17.232 -13.384 1.00 0.00 H new ATOM 0 HH TYR A 46 53.099 -20.111 -12.058 1.00 0.00 H new ATOM 710 N SER A 47 45.450 -16.061 -15.214 1.00 0.00 N ATOM 711 CA SER A 47 44.679 -14.903 -15.651 1.00 0.00 C ATOM 712 C SER A 47 43.640 -14.515 -14.602 1.00 0.00 C ATOM 713 O SER A 47 43.269 -13.348 -14.484 1.00 0.00 O ATOM 714 CB SER A 47 43.989 -15.197 -16.984 1.00 0.00 C ATOM 715 OG SER A 47 44.016 -16.583 -17.278 1.00 0.00 O ATOM 0 H SER A 47 45.233 -16.924 -15.712 1.00 0.00 H new ATOM 0 HA SER A 47 45.367 -14.068 -15.783 1.00 0.00 H new ATOM 0 HB2 SER A 47 42.956 -14.850 -16.947 1.00 0.00 H new ATOM 0 HB3 SER A 47 44.483 -14.643 -17.782 1.00 0.00 H new ATOM 0 HG SER A 47 43.567 -16.745 -18.134 1.00 0.00 H new ATOM 721 N GLU A 48 43.176 -15.504 -13.844 1.00 0.00 N ATOM 722 CA GLU A 48 42.179 -15.266 -12.807 1.00 0.00 C ATOM 723 C GLU A 48 42.811 -14.596 -11.589 1.00 0.00 C ATOM 724 O GLU A 48 42.139 -13.891 -10.837 1.00 0.00 O ATOM 725 CB GLU A 48 41.518 -16.582 -12.393 1.00 0.00 C ATOM 726 CG GLU A 48 40.813 -17.295 -13.534 1.00 0.00 C ATOM 727 CD GLU A 48 39.828 -18.341 -13.050 1.00 0.00 C ATOM 728 OE1 GLU A 48 38.785 -17.956 -12.482 1.00 0.00 O ATOM 729 OE2 GLU A 48 40.101 -19.545 -13.240 1.00 0.00 O ATOM 0 H GLU A 48 43.474 -16.476 -13.929 1.00 0.00 H new ATOM 0 HA GLU A 48 41.420 -14.599 -13.214 1.00 0.00 H new ATOM 0 HB2 GLU A 48 42.277 -17.244 -11.976 1.00 0.00 H new ATOM 0 HB3 GLU A 48 40.797 -16.383 -11.600 1.00 0.00 H new ATOM 0 HG2 GLU A 48 40.287 -16.562 -14.146 1.00 0.00 H new ATOM 0 HG3 GLU A 48 41.556 -17.770 -14.175 1.00 0.00 H new ATOM 736 N PHE A 49 44.106 -14.823 -11.402 1.00 0.00 N ATOM 737 CA PHE A 49 44.829 -14.244 -10.276 1.00 0.00 C ATOM 738 C PHE A 49 45.126 -12.768 -10.522 1.00 0.00 C ATOM 739 O PHE A 49 45.789 -12.411 -11.496 1.00 0.00 O ATOM 740 CB PHE A 49 46.134 -15.005 -10.034 1.00 0.00 C ATOM 741 CG PHE A 49 46.752 -14.726 -8.694 1.00 0.00 C ATOM 742 CD1 PHE A 49 47.552 -13.611 -8.504 1.00 0.00 C ATOM 743 CD2 PHE A 49 46.533 -15.578 -7.624 1.00 0.00 C ATOM 744 CE1 PHE A 49 48.122 -13.350 -7.272 1.00 0.00 C ATOM 745 CE2 PHE A 49 47.099 -15.323 -6.390 1.00 0.00 C ATOM 746 CZ PHE A 49 47.896 -14.208 -6.214 1.00 0.00 C ATOM 0 H PHE A 49 44.677 -15.404 -12.016 1.00 0.00 H new ATOM 0 HA PHE A 49 44.199 -14.327 -9.391 1.00 0.00 H new ATOM 0 HB2 PHE A 49 45.943 -16.075 -10.121 1.00 0.00 H new ATOM 0 HB3 PHE A 49 46.848 -14.744 -10.816 1.00 0.00 H new ATOM 0 HD1 PHE A 49 47.733 -12.937 -9.329 1.00 0.00 H new ATOM 0 HD2 PHE A 49 45.912 -16.452 -7.756 1.00 0.00 H new ATOM 0 HE1 PHE A 49 48.743 -12.477 -7.137 1.00 0.00 H new ATOM 0 HE2 PHE A 49 46.919 -15.994 -5.564 1.00 0.00 H new ATOM 0 HZ PHE A 49 48.341 -14.008 -5.251 1.00 0.00 H new ATOM 756 N SER A 50 44.630 -11.914 -9.631 1.00 0.00 N ATOM 757 CA SER A 50 44.838 -10.476 -9.753 1.00 0.00 C ATOM 758 C SER A 50 45.896 -9.994 -8.764 1.00 0.00 C ATOM 759 O SER A 50 45.587 -9.668 -7.619 1.00 0.00 O ATOM 760 CB SER A 50 43.525 -9.728 -9.518 1.00 0.00 C ATOM 761 OG SER A 50 43.544 -8.455 -10.141 1.00 0.00 O ATOM 0 H SER A 50 44.082 -12.193 -8.818 1.00 0.00 H new ATOM 0 HA SER A 50 45.190 -10.269 -10.764 1.00 0.00 H new ATOM 0 HB2 SER A 50 42.694 -10.315 -9.908 1.00 0.00 H new ATOM 0 HB3 SER A 50 43.357 -9.610 -8.448 1.00 0.00 H new ATOM 0 HG SER A 50 42.693 -7.998 -9.977 1.00 0.00 H new ATOM 767 N GLY A 51 47.145 -9.953 -9.217 1.00 0.00 N ATOM 768 CA GLY A 51 48.230 -9.511 -8.360 1.00 0.00 C ATOM 769 C GLY A 51 49.572 -10.071 -8.788 1.00 0.00 C ATOM 770 O GLY A 51 49.912 -10.050 -9.971 1.00 0.00 O ATOM 0 H GLY A 51 47.425 -10.218 -10.161 1.00 0.00 H new ATOM 0 HA2 GLY A 51 48.275 -8.422 -8.368 1.00 0.00 H new ATOM 0 HA3 GLY A 51 48.024 -9.814 -7.333 1.00 0.00 H new ATOM 774 N ASP A 52 50.337 -10.571 -7.824 1.00 0.00 N ATOM 775 CA ASP A 52 51.650 -11.139 -8.107 1.00 0.00 C ATOM 776 C ASP A 52 51.616 -12.661 -8.011 1.00 0.00 C ATOM 777 O ASP A 52 51.834 -13.231 -6.942 1.00 0.00 O ATOM 778 CB ASP A 52 52.692 -10.577 -7.138 1.00 0.00 C ATOM 779 CG ASP A 52 52.708 -9.062 -7.121 1.00 0.00 C ATOM 780 OD1 ASP A 52 52.374 -8.452 -8.159 1.00 0.00 O ATOM 781 OD2 ASP A 52 53.055 -8.484 -6.069 1.00 0.00 O ATOM 0 H ASP A 52 50.071 -10.595 -6.840 1.00 0.00 H new ATOM 0 HA ASP A 52 51.926 -10.864 -9.125 1.00 0.00 H new ATOM 0 HB2 ASP A 52 52.486 -10.947 -6.133 1.00 0.00 H new ATOM 0 HB3 ASP A 52 53.679 -10.945 -7.417 1.00 0.00 H new ATOM 786 N VAL A 53 51.340 -13.314 -9.136 1.00 0.00 N ATOM 787 CA VAL A 53 51.277 -14.770 -9.178 1.00 0.00 C ATOM 788 C VAL A 53 52.670 -15.377 -9.304 1.00 0.00 C ATOM 789 O VAL A 53 52.914 -16.497 -8.856 1.00 0.00 O ATOM 790 CB VAL A 53 50.408 -15.260 -10.352 1.00 0.00 C ATOM 791 CG1 VAL A 53 51.018 -14.841 -11.680 1.00 0.00 C ATOM 792 CG2 VAL A 53 50.231 -16.770 -10.289 1.00 0.00 C ATOM 0 H VAL A 53 51.157 -12.858 -10.030 1.00 0.00 H new ATOM 0 HA VAL A 53 50.826 -15.095 -8.240 1.00 0.00 H new ATOM 0 HB VAL A 53 49.424 -14.798 -10.271 1.00 0.00 H new ATOM 0 HG11 VAL A 53 50.390 -15.196 -12.497 1.00 0.00 H new ATOM 0 HG12 VAL A 53 51.087 -13.754 -11.722 1.00 0.00 H new ATOM 0 HG13 VAL A 53 52.015 -15.272 -11.775 1.00 0.00 H new ATOM 0 HG21 VAL A 53 49.615 -17.099 -11.126 1.00 0.00 H new ATOM 0 HG22 VAL A 53 51.206 -17.253 -10.345 1.00 0.00 H new ATOM 0 HG23 VAL A 53 49.745 -17.041 -9.352 1.00 0.00 H new ATOM 802 N ASP A 54 53.582 -14.629 -9.917 1.00 0.00 N ATOM 803 CA ASP A 54 54.952 -15.092 -10.101 1.00 0.00 C ATOM 804 C ASP A 54 55.729 -15.025 -8.790 1.00 0.00 C ATOM 805 O ASP A 54 56.574 -15.877 -8.513 1.00 0.00 O ATOM 806 CB ASP A 54 55.657 -14.255 -11.170 1.00 0.00 C ATOM 807 CG ASP A 54 56.051 -12.881 -10.662 1.00 0.00 C ATOM 808 OD1 ASP A 54 55.149 -12.115 -10.262 1.00 0.00 O ATOM 809 OD2 ASP A 54 57.261 -12.573 -10.665 1.00 0.00 O ATOM 0 H ASP A 54 53.397 -13.700 -10.295 1.00 0.00 H new ATOM 0 HA ASP A 54 54.917 -16.131 -10.429 1.00 0.00 H new ATOM 0 HB2 ASP A 54 56.548 -14.782 -11.511 1.00 0.00 H new ATOM 0 HB3 ASP A 54 55.001 -14.146 -12.033 1.00 0.00 H new ATOM 814 N SER A 55 55.438 -14.006 -7.987 1.00 0.00 N ATOM 815 CA SER A 55 56.113 -13.825 -6.707 1.00 0.00 C ATOM 816 C SER A 55 55.648 -14.867 -5.695 1.00 0.00 C ATOM 817 O SER A 55 56.394 -15.251 -4.793 1.00 0.00 O ATOM 818 CB SER A 55 55.853 -12.418 -6.164 1.00 0.00 C ATOM 819 OG SER A 55 56.253 -11.429 -7.097 1.00 0.00 O ATOM 0 H SER A 55 54.740 -13.294 -8.200 1.00 0.00 H new ATOM 0 HA SER A 55 57.183 -13.953 -6.868 1.00 0.00 H new ATOM 0 HB2 SER A 55 54.793 -12.302 -5.939 1.00 0.00 H new ATOM 0 HB3 SER A 55 56.395 -12.280 -5.228 1.00 0.00 H new ATOM 0 HG SER A 55 56.075 -10.539 -6.727 1.00 0.00 H new ATOM 825 N LEU A 56 54.410 -15.322 -5.851 1.00 0.00 N ATOM 826 CA LEU A 56 53.843 -16.321 -4.952 1.00 0.00 C ATOM 827 C LEU A 56 54.763 -17.531 -4.832 1.00 0.00 C ATOM 828 O LEU A 56 55.574 -17.796 -5.719 1.00 0.00 O ATOM 829 CB LEU A 56 52.465 -16.761 -5.450 1.00 0.00 C ATOM 830 CG LEU A 56 51.264 -16.176 -4.707 1.00 0.00 C ATOM 831 CD1 LEU A 56 49.963 -16.680 -5.314 1.00 0.00 C ATOM 832 CD2 LEU A 56 51.333 -16.520 -3.227 1.00 0.00 C ATOM 0 H LEU A 56 53.779 -15.015 -6.592 1.00 0.00 H new ATOM 0 HA LEU A 56 53.739 -15.868 -3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 56 52.380 -16.495 -6.504 1.00 0.00 H new ATOM 0 HB3 LEU A 56 52.409 -17.848 -5.390 1.00 0.00 H new ATOM 0 HG LEU A 56 51.292 -15.091 -4.809 1.00 0.00 H new ATOM 0 HD11 LEU A 56 49.119 -16.253 -4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 56 49.910 -16.382 -6.361 1.00 0.00 H new ATOM 0 HD13 LEU A 56 49.926 -17.767 -5.244 1.00 0.00 H new ATOM 0 HD21 LEU A 56 50.470 -16.095 -2.714 1.00 0.00 H new ATOM 0 HD22 LEU A 56 51.331 -17.603 -3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 56 52.248 -16.108 -2.800 1.00 0.00 H new ATOM 844 N GLU A 57 54.630 -18.263 -3.730 1.00 0.00 N ATOM 845 CA GLU A 57 55.450 -19.446 -3.496 1.00 0.00 C ATOM 846 C GLU A 57 54.638 -20.544 -2.813 1.00 0.00 C ATOM 847 O GLU A 57 53.482 -20.337 -2.443 1.00 0.00 O ATOM 848 CB GLU A 57 56.667 -19.090 -2.641 1.00 0.00 C ATOM 849 CG GLU A 57 57.576 -18.052 -3.279 1.00 0.00 C ATOM 850 CD GLU A 57 58.876 -17.870 -2.519 1.00 0.00 C ATOM 851 OE1 GLU A 57 58.905 -18.176 -1.309 1.00 0.00 O ATOM 852 OE2 GLU A 57 59.865 -17.421 -3.136 1.00 0.00 O ATOM 0 H GLU A 57 53.963 -18.058 -2.986 1.00 0.00 H new ATOM 0 HA GLU A 57 55.791 -19.817 -4.463 1.00 0.00 H new ATOM 0 HB2 GLU A 57 56.326 -18.717 -1.675 1.00 0.00 H new ATOM 0 HB3 GLU A 57 57.242 -19.995 -2.448 1.00 0.00 H new ATOM 0 HG2 GLU A 57 57.797 -18.349 -4.304 1.00 0.00 H new ATOM 0 HG3 GLU A 57 57.052 -17.097 -3.330 1.00 0.00 H new ATOM 859 N LEU A 58 55.252 -21.710 -2.650 1.00 0.00 N ATOM 860 CA LEU A 58 54.588 -22.842 -2.013 1.00 0.00 C ATOM 861 C LEU A 58 54.422 -22.602 -0.515 1.00 0.00 C ATOM 862 O LEU A 58 55.392 -22.336 0.192 1.00 0.00 O ATOM 863 CB LEU A 58 55.385 -24.126 -2.250 1.00 0.00 C ATOM 864 CG LEU A 58 55.649 -24.492 -3.711 1.00 0.00 C ATOM 865 CD1 LEU A 58 56.518 -25.736 -3.801 1.00 0.00 C ATOM 866 CD2 LEU A 58 54.338 -24.699 -4.454 1.00 0.00 C ATOM 0 H LEU A 58 56.209 -21.897 -2.950 1.00 0.00 H new ATOM 0 HA LEU A 58 53.599 -22.949 -2.458 1.00 0.00 H new ATOM 0 HB2 LEU A 58 56.344 -24.034 -1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 58 54.852 -24.953 -1.780 1.00 0.00 H new ATOM 0 HG LEU A 58 56.183 -23.667 -4.182 1.00 0.00 H new ATOM 0 HD11 LEU A 58 56.695 -25.981 -4.848 1.00 0.00 H new ATOM 0 HD12 LEU A 58 57.471 -25.551 -3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 58 56.012 -26.569 -3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 58 54.545 -24.959 -5.492 1.00 0.00 H new ATOM 0 HD22 LEU A 58 53.776 -25.506 -3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 58 53.752 -23.781 -4.420 1.00 0.00 H new ATOM 878 N GLY A 59 53.185 -22.701 -0.039 1.00 0.00 N ATOM 879 CA GLY A 59 52.914 -22.495 1.372 1.00 0.00 C ATOM 880 C GLY A 59 52.304 -21.136 1.652 1.00 0.00 C ATOM 881 O GLY A 59 51.643 -20.943 2.673 1.00 0.00 O ATOM 0 H GLY A 59 52.365 -22.920 -0.605 1.00 0.00 H new ATOM 0 HA2 GLY A 59 52.238 -23.273 1.727 1.00 0.00 H new ATOM 0 HA3 GLY A 59 53.841 -22.597 1.936 1.00 0.00 H new ATOM 885 N ASP A 60 52.526 -20.191 0.745 1.00 0.00 N ATOM 886 CA ASP A 60 51.993 -18.842 0.900 1.00 0.00 C ATOM 887 C ASP A 60 50.471 -18.867 1.001 1.00 0.00 C ATOM 888 O ASP A 60 49.811 -19.691 0.368 1.00 0.00 O ATOM 889 CB ASP A 60 52.425 -17.963 -0.274 1.00 0.00 C ATOM 890 CG ASP A 60 53.212 -16.746 0.172 1.00 0.00 C ATOM 891 OD1 ASP A 60 52.646 -15.908 0.905 1.00 0.00 O ATOM 892 OD2 ASP A 60 54.395 -16.633 -0.210 1.00 0.00 O ATOM 0 H ASP A 60 53.071 -20.334 -0.105 1.00 0.00 H new ATOM 0 HA ASP A 60 52.393 -18.423 1.824 1.00 0.00 H new ATOM 0 HB2 ASP A 60 53.032 -18.552 -0.961 1.00 0.00 H new ATOM 0 HB3 ASP A 60 51.542 -17.639 -0.826 1.00 0.00 H new ATOM 897 N MET A 61 49.921 -17.960 1.801 1.00 0.00 N ATOM 898 CA MET A 61 48.477 -17.879 1.984 1.00 0.00 C ATOM 899 C MET A 61 47.833 -17.055 0.873 1.00 0.00 C ATOM 900 O MET A 61 48.447 -16.132 0.337 1.00 0.00 O ATOM 901 CB MET A 61 48.147 -17.265 3.346 1.00 0.00 C ATOM 902 CG MET A 61 48.316 -18.233 4.506 1.00 0.00 C ATOM 903 SD MET A 61 49.834 -17.945 5.436 1.00 0.00 S ATOM 904 CE MET A 61 50.250 -19.615 5.932 1.00 0.00 C ATOM 0 H MET A 61 50.453 -17.271 2.333 1.00 0.00 H new ATOM 0 HA MET A 61 48.074 -18.891 1.942 1.00 0.00 H new ATOM 0 HB2 MET A 61 48.788 -16.399 3.510 1.00 0.00 H new ATOM 0 HB3 MET A 61 47.119 -16.903 3.333 1.00 0.00 H new ATOM 0 HG2 MET A 61 47.461 -18.143 5.176 1.00 0.00 H new ATOM 0 HG3 MET A 61 48.316 -19.254 4.125 1.00 0.00 H new ATOM 0 HE1 MET A 61 51.179 -19.604 6.502 1.00 0.00 H new ATOM 0 HE2 MET A 61 49.449 -20.021 6.550 1.00 0.00 H new ATOM 0 HE3 MET A 61 50.376 -20.237 5.046 1.00 0.00 H new ATOM 914 N VAL A 62 46.594 -17.394 0.532 1.00 0.00 N ATOM 915 CA VAL A 62 45.868 -16.685 -0.515 1.00 0.00 C ATOM 916 C VAL A 62 44.363 -16.744 -0.276 1.00 0.00 C ATOM 917 O VAL A 62 43.843 -17.743 0.219 1.00 0.00 O ATOM 918 CB VAL A 62 46.179 -17.267 -1.907 1.00 0.00 C ATOM 919 CG1 VAL A 62 47.601 -16.921 -2.324 1.00 0.00 C ATOM 920 CG2 VAL A 62 45.964 -18.772 -1.915 1.00 0.00 C ATOM 0 H VAL A 62 46.072 -18.155 0.966 1.00 0.00 H new ATOM 0 HA VAL A 62 46.198 -15.647 -0.482 1.00 0.00 H new ATOM 0 HB VAL A 62 45.495 -16.822 -2.629 1.00 0.00 H new ATOM 0 HG11 VAL A 62 47.803 -17.340 -3.310 1.00 0.00 H new ATOM 0 HG12 VAL A 62 47.716 -15.838 -2.360 1.00 0.00 H new ATOM 0 HG13 VAL A 62 48.303 -17.337 -1.602 1.00 0.00 H new ATOM 0 HG21 VAL A 62 46.188 -19.166 -2.906 1.00 0.00 H new ATOM 0 HG22 VAL A 62 46.623 -19.238 -1.182 1.00 0.00 H new ATOM 0 HG23 VAL A 62 44.927 -18.993 -1.663 1.00 0.00 H new ATOM 930 N GLU A 63 43.671 -15.667 -0.633 1.00 0.00 N ATOM 931 CA GLU A 63 42.225 -15.597 -0.457 1.00 0.00 C ATOM 932 C GLU A 63 41.505 -15.789 -1.789 1.00 0.00 C ATOM 933 O GLU A 63 41.875 -15.190 -2.798 1.00 0.00 O ATOM 934 CB GLU A 63 41.828 -14.255 0.162 1.00 0.00 C ATOM 935 CG GLU A 63 40.997 -14.389 1.426 1.00 0.00 C ATOM 936 CD GLU A 63 41.134 -13.191 2.345 1.00 0.00 C ATOM 937 OE1 GLU A 63 41.440 -12.089 1.842 1.00 0.00 O ATOM 938 OE2 GLU A 63 40.935 -13.355 3.567 1.00 0.00 O ATOM 0 H GLU A 63 44.087 -14.832 -1.045 1.00 0.00 H new ATOM 0 HA GLU A 63 41.927 -16.401 0.216 1.00 0.00 H new ATOM 0 HB2 GLU A 63 42.731 -13.688 0.390 1.00 0.00 H new ATOM 0 HB3 GLU A 63 41.266 -13.678 -0.572 1.00 0.00 H new ATOM 0 HG2 GLU A 63 39.949 -14.516 1.155 1.00 0.00 H new ATOM 0 HG3 GLU A 63 41.299 -15.289 1.961 1.00 0.00 H new ATOM 945 N TYR A 64 40.475 -16.628 -1.782 1.00 0.00 N ATOM 946 CA TYR A 64 39.704 -16.901 -2.989 1.00 0.00 C ATOM 947 C TYR A 64 38.258 -17.244 -2.646 1.00 0.00 C ATOM 948 O TYR A 64 37.896 -17.359 -1.475 1.00 0.00 O ATOM 949 CB TYR A 64 40.339 -18.050 -3.776 1.00 0.00 C ATOM 950 CG TYR A 64 40.457 -19.333 -2.985 1.00 0.00 C ATOM 951 CD1 TYR A 64 39.415 -20.252 -2.956 1.00 0.00 C ATOM 952 CD2 TYR A 64 41.610 -19.626 -2.267 1.00 0.00 C ATOM 953 CE1 TYR A 64 39.518 -21.425 -2.234 1.00 0.00 C ATOM 954 CE2 TYR A 64 41.722 -20.798 -1.543 1.00 0.00 C ATOM 955 CZ TYR A 64 40.673 -21.694 -1.529 1.00 0.00 C ATOM 956 OH TYR A 64 40.780 -22.862 -0.810 1.00 0.00 O ATOM 0 H TYR A 64 40.155 -17.131 -0.954 1.00 0.00 H new ATOM 0 HA TYR A 64 39.709 -16.001 -3.604 1.00 0.00 H new ATOM 0 HB2 TYR A 64 39.746 -18.238 -4.671 1.00 0.00 H new ATOM 0 HB3 TYR A 64 41.331 -17.746 -4.110 1.00 0.00 H new ATOM 0 HD1 TYR A 64 38.509 -20.046 -3.507 1.00 0.00 H new ATOM 0 HD2 TYR A 64 42.433 -18.926 -2.275 1.00 0.00 H new ATOM 0 HE1 TYR A 64 38.698 -22.128 -2.221 1.00 0.00 H new ATOM 0 HE2 TYR A 64 42.626 -21.011 -0.991 1.00 0.00 H new ATOM 0 HH TYR A 64 41.656 -22.898 -0.373 1.00 0.00 H new ATOM 966 N SER A 65 37.434 -17.405 -3.677 1.00 0.00 N ATOM 967 CA SER A 65 36.026 -17.731 -3.487 1.00 0.00 C ATOM 968 C SER A 65 35.657 -19.007 -4.238 1.00 0.00 C ATOM 969 O SER A 65 36.430 -19.504 -5.058 1.00 0.00 O ATOM 970 CB SER A 65 35.144 -16.574 -3.961 1.00 0.00 C ATOM 971 OG SER A 65 35.849 -15.345 -3.917 1.00 0.00 O ATOM 0 H SER A 65 37.718 -17.315 -4.653 1.00 0.00 H new ATOM 0 HA SER A 65 35.857 -17.895 -2.423 1.00 0.00 H new ATOM 0 HB2 SER A 65 34.803 -16.765 -4.979 1.00 0.00 H new ATOM 0 HB3 SER A 65 34.255 -16.510 -3.334 1.00 0.00 H new ATOM 0 HG SER A 65 35.265 -14.621 -4.226 1.00 0.00 H new ATOM 977 N LEU A 66 34.471 -19.532 -3.951 1.00 0.00 N ATOM 978 CA LEU A 66 33.998 -20.751 -4.599 1.00 0.00 C ATOM 979 C LEU A 66 32.605 -20.550 -5.186 1.00 0.00 C ATOM 980 O LEU A 66 31.778 -19.836 -4.618 1.00 0.00 O ATOM 981 CB LEU A 66 33.980 -21.909 -3.600 1.00 0.00 C ATOM 982 CG LEU A 66 35.315 -22.237 -2.929 1.00 0.00 C ATOM 983 CD1 LEU A 66 35.116 -23.249 -1.812 1.00 0.00 C ATOM 984 CD2 LEU A 66 36.313 -22.758 -3.952 1.00 0.00 C ATOM 0 H LEU A 66 33.820 -19.134 -3.275 1.00 0.00 H new ATOM 0 HA LEU A 66 34.684 -20.991 -5.412 1.00 0.00 H new ATOM 0 HB2 LEU A 66 33.252 -21.680 -2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 66 33.626 -22.802 -4.115 1.00 0.00 H new ATOM 0 HG LEU A 66 35.716 -21.321 -2.495 1.00 0.00 H new ATOM 0 HD11 LEU A 66 36.076 -23.470 -1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 66 34.437 -22.838 -1.065 1.00 0.00 H new ATOM 0 HD13 LEU A 66 34.692 -24.165 -2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 66 37.257 -22.986 -3.456 1.00 0.00 H new ATOM 0 HD22 LEU A 66 35.919 -23.662 -4.417 1.00 0.00 H new ATOM 0 HD23 LEU A 66 36.479 -22.000 -4.717 1.00 0.00 H new ATOM 1117 N SER A 75 36.541 -24.717 -9.042 1.00 0.00 N ATOM 1118 CA SER A 75 37.775 -23.947 -9.139 1.00 0.00 C ATOM 1119 C SER A 75 37.648 -22.621 -8.395 1.00 0.00 C ATOM 1120 O SER A 75 36.590 -22.298 -7.855 1.00 0.00 O ATOM 1121 CB SER A 75 38.125 -23.689 -10.606 1.00 0.00 C ATOM 1122 OG SER A 75 38.763 -24.815 -11.184 1.00 0.00 O ATOM 0 HA SER A 75 38.574 -24.528 -8.678 1.00 0.00 H new ATOM 0 HB2 SER A 75 37.218 -23.455 -11.164 1.00 0.00 H new ATOM 0 HB3 SER A 75 38.778 -22.819 -10.680 1.00 0.00 H new ATOM 0 HG SER A 75 38.975 -24.625 -12.122 1.00 0.00 H new ATOM 1128 N ALA A 76 38.736 -21.857 -8.370 1.00 0.00 N ATOM 1129 CA ALA A 76 38.747 -20.566 -7.693 1.00 0.00 C ATOM 1130 C ALA A 76 38.405 -19.437 -8.660 1.00 0.00 C ATOM 1131 O ALA A 76 38.458 -19.613 -9.877 1.00 0.00 O ATOM 1132 CB ALA A 76 40.103 -20.320 -7.049 1.00 0.00 C ATOM 0 H ALA A 76 39.620 -22.110 -8.811 1.00 0.00 H new ATOM 0 HA ALA A 76 37.985 -20.585 -6.914 1.00 0.00 H new ATOM 0 HB1 ALA A 76 40.097 -19.352 -6.547 1.00 0.00 H new ATOM 0 HB2 ALA A 76 40.308 -21.105 -6.321 1.00 0.00 H new ATOM 0 HB3 ALA A 76 40.877 -20.326 -7.817 1.00 0.00 H new ATOM 1138 N GLU A 77 38.054 -18.279 -8.110 1.00 0.00 N ATOM 1139 CA GLU A 77 37.702 -17.122 -8.925 1.00 0.00 C ATOM 1140 C GLU A 77 38.248 -15.837 -8.309 1.00 0.00 C ATOM 1141 O GLU A 77 38.033 -15.560 -7.129 1.00 0.00 O ATOM 1142 CB GLU A 77 36.183 -17.022 -9.079 1.00 0.00 C ATOM 1143 CG GLU A 77 35.425 -17.216 -7.776 1.00 0.00 C ATOM 1144 CD GLU A 77 33.923 -17.102 -7.953 1.00 0.00 C ATOM 1145 OE1 GLU A 77 33.487 -16.511 -8.963 1.00 0.00 O ATOM 1146 OE2 GLU A 77 33.184 -17.605 -7.080 1.00 0.00 O ATOM 0 H GLU A 77 38.006 -18.117 -7.104 1.00 0.00 H new ATOM 0 HA GLU A 77 38.152 -17.252 -9.909 1.00 0.00 H new ATOM 0 HB2 GLU A 77 35.932 -16.046 -9.494 1.00 0.00 H new ATOM 0 HB3 GLU A 77 35.849 -17.770 -9.799 1.00 0.00 H new ATOM 0 HG2 GLU A 77 35.665 -18.196 -7.363 1.00 0.00 H new ATOM 0 HG3 GLU A 77 35.759 -16.473 -7.051 1.00 0.00 H new ATOM 1153 N LYS A 78 38.955 -15.055 -9.118 1.00 0.00 N ATOM 1154 CA LYS A 78 39.532 -13.798 -8.656 1.00 0.00 C ATOM 1155 C LYS A 78 40.395 -14.018 -7.418 1.00 0.00 C ATOM 1156 O LYS A 78 40.076 -13.534 -6.332 1.00 0.00 O ATOM 1157 CB LYS A 78 38.424 -12.789 -8.345 1.00 0.00 C ATOM 1158 CG LYS A 78 37.454 -12.577 -9.494 1.00 0.00 C ATOM 1159 CD LYS A 78 36.781 -11.217 -9.412 1.00 0.00 C ATOM 1160 CE LYS A 78 37.465 -10.202 -10.316 1.00 0.00 C ATOM 1161 NZ LYS A 78 38.215 -9.181 -9.534 1.00 0.00 N ATOM 0 H LYS A 78 39.142 -15.270 -10.097 1.00 0.00 H new ATOM 0 HA LYS A 78 40.163 -13.402 -9.452 1.00 0.00 H new ATOM 0 HB2 LYS A 78 37.869 -13.129 -7.471 1.00 0.00 H new ATOM 0 HB3 LYS A 78 38.878 -11.833 -8.083 1.00 0.00 H new ATOM 0 HG2 LYS A 78 37.986 -12.664 -10.441 1.00 0.00 H new ATOM 0 HG3 LYS A 78 36.696 -13.360 -9.481 1.00 0.00 H new ATOM 0 HD2 LYS A 78 35.733 -11.311 -9.696 1.00 0.00 H new ATOM 0 HD3 LYS A 78 36.802 -10.861 -8.382 1.00 0.00 H new ATOM 0 HE2 LYS A 78 38.149 -10.718 -10.990 1.00 0.00 H new ATOM 0 HE3 LYS A 78 36.718 -9.707 -10.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 38.667 -8.508 -10.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 37.558 -8.671 -8.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 38.945 -9.650 -8.960 1.00 0.00 H new ATOM 1175 N VAL A 79 41.491 -14.751 -7.589 1.00 0.00 N ATOM 1176 CA VAL A 79 42.403 -15.033 -6.486 1.00 0.00 C ATOM 1177 C VAL A 79 43.362 -13.871 -6.255 1.00 0.00 C ATOM 1178 O VAL A 79 43.803 -13.220 -7.201 1.00 0.00 O ATOM 1179 CB VAL A 79 43.218 -16.314 -6.745 1.00 0.00 C ATOM 1180 CG1 VAL A 79 44.070 -16.659 -5.533 1.00 0.00 C ATOM 1181 CG2 VAL A 79 42.295 -17.468 -7.105 1.00 0.00 C ATOM 0 H VAL A 79 41.769 -15.160 -8.481 1.00 0.00 H new ATOM 0 HA VAL A 79 41.789 -15.176 -5.597 1.00 0.00 H new ATOM 0 HB VAL A 79 43.885 -16.136 -7.588 1.00 0.00 H new ATOM 0 HG11 VAL A 79 44.639 -17.567 -5.735 1.00 0.00 H new ATOM 0 HG12 VAL A 79 44.757 -15.839 -5.326 1.00 0.00 H new ATOM 0 HG13 VAL A 79 43.425 -16.819 -4.669 1.00 0.00 H new ATOM 0 HG21 VAL A 79 42.887 -18.365 -7.285 1.00 0.00 H new ATOM 0 HG22 VAL A 79 41.602 -17.649 -6.284 1.00 0.00 H new ATOM 0 HG23 VAL A 79 41.733 -17.218 -8.005 1.00 0.00 H new ATOM 1191 N ASN A 80 43.682 -13.617 -4.990 1.00 0.00 N ATOM 1192 CA ASN A 80 44.590 -12.533 -4.634 1.00 0.00 C ATOM 1193 C ASN A 80 45.409 -12.893 -3.398 1.00 0.00 C ATOM 1194 O ASN A 80 45.001 -13.729 -2.592 1.00 0.00 O ATOM 1195 CB ASN A 80 43.804 -11.244 -4.382 1.00 0.00 C ATOM 1196 CG ASN A 80 43.123 -11.239 -3.027 1.00 0.00 C ATOM 1197 OD1 ASN A 80 42.024 -11.770 -2.870 1.00 0.00 O ATOM 1198 ND2 ASN A 80 43.775 -10.636 -2.040 1.00 0.00 N ATOM 0 H ASN A 80 43.326 -14.147 -4.195 1.00 0.00 H new ATOM 0 HA ASN A 80 45.274 -12.376 -5.468 1.00 0.00 H new ATOM 0 HB2 ASN A 80 44.479 -10.391 -4.450 1.00 0.00 H new ATOM 0 HB3 ASN A 80 43.054 -11.120 -5.163 1.00 0.00 H new ATOM 0 HD21 ASN A 80 43.366 -10.600 -1.106 1.00 0.00 H new ATOM 0 HD22 ASN A 80 44.684 -10.209 -2.216 1.00 0.00 H new ATOM 1205 N LYS A 81 46.566 -12.256 -3.256 1.00 0.00 N ATOM 1206 CA LYS A 81 47.443 -12.506 -2.119 1.00 0.00 C ATOM 1207 C LYS A 81 46.919 -11.813 -0.865 1.00 0.00 C ATOM 1208 O LYS A 81 46.524 -10.647 -0.907 1.00 0.00 O ATOM 1209 CB LYS A 81 48.862 -12.024 -2.427 1.00 0.00 C ATOM 1210 CG LYS A 81 49.893 -13.139 -2.450 1.00 0.00 C ATOM 1211 CD LYS A 81 51.307 -12.590 -2.528 1.00 0.00 C ATOM 1212 CE LYS A 81 52.016 -12.685 -1.185 1.00 0.00 C ATOM 1213 NZ LYS A 81 53.451 -13.052 -1.341 1.00 0.00 N ATOM 0 H LYS A 81 46.918 -11.562 -3.915 1.00 0.00 H new ATOM 0 HA LYS A 81 47.463 -13.580 -1.937 1.00 0.00 H new ATOM 0 HB2 LYS A 81 48.863 -11.520 -3.393 1.00 0.00 H new ATOM 0 HB3 LYS A 81 49.155 -11.285 -1.681 1.00 0.00 H new ATOM 0 HG2 LYS A 81 49.788 -13.751 -1.554 1.00 0.00 H new ATOM 0 HG3 LYS A 81 49.707 -13.790 -3.304 1.00 0.00 H new ATOM 0 HD2 LYS A 81 51.872 -13.142 -3.279 1.00 0.00 H new ATOM 0 HD3 LYS A 81 51.277 -11.550 -2.852 1.00 0.00 H new ATOM 0 HE2 LYS A 81 51.940 -11.730 -0.666 1.00 0.00 H new ATOM 0 HE3 LYS A 81 51.517 -13.427 -0.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 53.899 -13.107 -0.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 53.524 -13.975 -1.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 53.934 -12.331 -1.914 1.00 0.00 H new ATOM 1227 N THR A 82 46.921 -12.536 0.250 1.00 0.00 N ATOM 1228 CA THR A 82 46.446 -11.990 1.516 1.00 0.00 C ATOM 1229 C THR A 82 47.505 -12.124 2.604 1.00 0.00 C ATOM 1230 O THR A 82 47.185 -12.348 3.771 1.00 0.00 O ATOM 1231 CB THR A 82 45.156 -12.691 1.982 1.00 0.00 C ATOM 1232 OG1 THR A 82 44.649 -12.053 3.159 1.00 0.00 O ATOM 1233 CG2 THR A 82 45.414 -14.163 2.268 1.00 0.00 C ATOM 0 H THR A 82 47.246 -13.501 0.303 1.00 0.00 H new ATOM 0 HA THR A 82 46.235 -10.934 1.345 1.00 0.00 H new ATOM 0 HB THR A 82 44.419 -12.616 1.183 1.00 0.00 H new ATOM 0 HG1 THR A 82 45.362 -11.988 3.828 1.00 0.00 H new ATOM 0 HG21 THR A 82 44.489 -14.638 2.596 1.00 0.00 H new ATOM 0 HG22 THR A 82 45.772 -14.652 1.362 1.00 0.00 H new ATOM 0 HG23 THR A 82 46.166 -14.255 3.051 1.00 0.00 H new