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 Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc=-0.00994 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -1.1 K(o=-1.1,f=-7.9!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.0175 X(o=-0.018,f=-0.018) USER MOD Single : A 38 HIS : no HD1:sc= -0.0998 X(o=-0.1,f=-0.0046) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc=-0.00475 X(o=-0.0048,f=0) USER MOD Single : A 46 TYR OH : rot 52:sc= 0.0364 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 152:sc= 0 (180deg=-0.00862) 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 -27:sc= 0.669 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -59:sc= 0.818 USER MOD ----------------------------------------------------------------- ATOM 231 N ARG A 18 34.671 -15.452 2.592 1.00 0.00 N ATOM 232 CA ARG A 18 36.066 -15.520 2.173 1.00 0.00 C ATOM 233 C ARG A 18 36.738 -16.775 2.721 1.00 0.00 C ATOM 234 O ARG A 18 36.649 -17.070 3.914 1.00 0.00 O ATOM 235 CB ARG A 18 36.823 -14.277 2.644 1.00 0.00 C ATOM 236 CG ARG A 18 37.117 -13.284 1.531 1.00 0.00 C ATOM 237 CD ARG A 18 35.869 -12.517 1.124 1.00 0.00 C ATOM 238 NE ARG A 18 36.166 -11.459 0.163 1.00 0.00 N ATOM 239 CZ ARG A 18 35.323 -10.475 -0.131 1.00 0.00 C ATOM 240 NH1 ARG A 18 34.138 -10.415 0.461 1.00 0.00 N ATOM 241 NH2 ARG A 18 35.665 -9.548 -1.016 1.00 0.00 N ATOM 0 HA ARG A 18 36.090 -15.562 1.084 1.00 0.00 H new ATOM 0 HB2 ARG A 18 36.240 -13.779 3.419 1.00 0.00 H new ATOM 0 HB3 ARG A 18 37.763 -14.586 3.101 1.00 0.00 H new ATOM 0 HG2 ARG A 18 37.884 -12.584 1.860 1.00 0.00 H new ATOM 0 HG3 ARG A 18 37.518 -13.813 0.667 1.00 0.00 H new ATOM 0 HD2 ARG A 18 35.145 -13.207 0.691 1.00 0.00 H new ATOM 0 HD3 ARG A 18 35.406 -12.083 2.010 1.00 0.00 H new ATOM 0 HE ARG A 18 37.070 -11.476 -0.309 1.00 0.00 H new ATOM 0 HH11 ARG A 18 33.872 -11.125 1.143 1.00 0.00 H new ATOM 0 HH12 ARG A 18 33.492 -9.659 0.234 1.00 0.00 H new ATOM 0 HH21 ARG A 18 36.576 -9.590 -1.472 1.00 0.00 H new ATOM 0 HH22 ARG A 18 35.017 -8.793 -1.240 1.00 0.00 H new ATOM 255 N LEU A 19 37.408 -17.512 1.842 1.00 0.00 N ATOM 256 CA LEU A 19 38.095 -18.737 2.237 1.00 0.00 C ATOM 257 C LEU A 19 39.605 -18.592 2.073 1.00 0.00 C ATOM 258 O LEU A 19 40.079 -17.953 1.134 1.00 0.00 O ATOM 259 CB LEU A 19 37.591 -19.918 1.406 1.00 0.00 C ATOM 260 CG LEU A 19 36.109 -20.263 1.558 1.00 0.00 C ATOM 261 CD1 LEU A 19 35.634 -21.106 0.385 1.00 0.00 C ATOM 262 CD2 LEU A 19 35.862 -20.987 2.873 1.00 0.00 C ATOM 0 H LEU A 19 37.490 -17.283 0.851 1.00 0.00 H new ATOM 0 HA LEU A 19 37.879 -18.923 3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 19 37.788 -19.707 0.355 1.00 0.00 H new ATOM 0 HB3 LEU A 19 38.177 -20.798 1.670 1.00 0.00 H new ATOM 0 HG LEU A 19 35.538 -19.334 1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.577 -21.342 0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.774 -20.551 -0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 19 36.210 -22.031 0.345 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.802 -21.225 2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 19 36.444 -21.909 2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 19 36.163 -20.347 3.703 1.00 0.00 H new ATOM 274 N LEU A 20 40.354 -19.192 2.992 1.00 0.00 N ATOM 275 CA LEU A 20 41.811 -19.132 2.948 1.00 0.00 C ATOM 276 C LEU A 20 42.397 -20.462 2.485 1.00 0.00 C ATOM 277 O LEU A 20 41.753 -21.505 2.587 1.00 0.00 O ATOM 278 CB LEU A 20 42.368 -18.769 4.326 1.00 0.00 C ATOM 279 CG LEU A 20 42.765 -17.305 4.525 1.00 0.00 C ATOM 280 CD1 LEU A 20 43.265 -17.076 5.943 1.00 0.00 C ATOM 281 CD2 LEU A 20 43.824 -16.897 3.511 1.00 0.00 C ATOM 0 H LEU A 20 39.977 -19.725 3.776 1.00 0.00 H new ATOM 0 HA LEU A 20 42.097 -18.361 2.232 1.00 0.00 H new ATOM 0 HB2 LEU A 20 41.622 -19.028 5.077 1.00 0.00 H new ATOM 0 HB3 LEU A 20 43.242 -19.391 4.518 1.00 0.00 H new ATOM 0 HG LEU A 20 41.883 -16.684 4.368 1.00 0.00 H new ATOM 0 HD11 LEU A 20 43.543 -16.029 6.066 1.00 0.00 H new ATOM 0 HD12 LEU A 20 42.476 -17.328 6.652 1.00 0.00 H new ATOM 0 HD13 LEU A 20 44.135 -17.706 6.128 1.00 0.00 H new ATOM 0 HD21 LEU A 20 44.094 -15.853 3.667 1.00 0.00 H new ATOM 0 HD22 LEU A 20 44.707 -17.523 3.636 1.00 0.00 H new ATOM 0 HD23 LEU A 20 43.430 -17.023 2.503 1.00 0.00 H new ATOM 293 N GLY A 21 43.626 -20.417 1.977 1.00 0.00 N ATOM 294 CA GLY A 21 44.279 -21.624 1.508 1.00 0.00 C ATOM 295 C GLY A 21 45.780 -21.459 1.381 1.00 0.00 C ATOM 296 O GLY A 21 46.320 -20.388 1.660 1.00 0.00 O ATOM 0 H GLY A 21 44.180 -19.566 1.882 1.00 0.00 H new ATOM 0 HA2 GLY A 21 44.063 -22.441 2.197 1.00 0.00 H new ATOM 0 HA3 GLY A 21 43.864 -21.905 0.540 1.00 0.00 H new ATOM 300 N TYR A 22 46.457 -22.522 0.961 1.00 0.00 N ATOM 301 CA TYR A 22 47.906 -22.492 0.802 1.00 0.00 C ATOM 302 C TYR A 22 48.317 -23.053 -0.556 1.00 0.00 C ATOM 303 O TYR A 22 47.778 -24.060 -1.013 1.00 0.00 O ATOM 304 CB TYR A 22 48.580 -23.289 1.921 1.00 0.00 C ATOM 305 CG TYR A 22 48.077 -22.937 3.303 1.00 0.00 C ATOM 306 CD1 TYR A 22 48.569 -21.828 3.981 1.00 0.00 C ATOM 307 CD2 TYR A 22 47.110 -23.712 3.930 1.00 0.00 C ATOM 308 CE1 TYR A 22 48.113 -21.503 5.244 1.00 0.00 C ATOM 309 CE2 TYR A 22 46.647 -23.394 5.192 1.00 0.00 C ATOM 310 CZ TYR A 22 47.152 -22.289 5.845 1.00 0.00 C ATOM 311 OH TYR A 22 46.695 -21.968 7.102 1.00 0.00 O ATOM 0 H TYR A 22 46.025 -23.415 0.724 1.00 0.00 H new ATOM 0 HA TYR A 22 48.231 -21.453 0.859 1.00 0.00 H new ATOM 0 HB2 TYR A 22 48.420 -24.353 1.745 1.00 0.00 H new ATOM 0 HB3 TYR A 22 49.656 -23.118 1.880 1.00 0.00 H new ATOM 0 HD1 TYR A 22 49.321 -21.210 3.513 1.00 0.00 H new ATOM 0 HD2 TYR A 22 46.713 -24.578 3.422 1.00 0.00 H new ATOM 0 HE1 TYR A 22 48.507 -20.638 5.758 1.00 0.00 H new ATOM 0 HE2 TYR A 22 45.894 -24.007 5.665 1.00 0.00 H new ATOM 0 HH TYR A 22 46.020 -22.621 7.381 1.00 0.00 H new ATOM 321 N VAL A 23 49.278 -22.393 -1.195 1.00 0.00 N ATOM 322 CA VAL A 23 49.764 -22.824 -2.500 1.00 0.00 C ATOM 323 C VAL A 23 50.357 -24.227 -2.429 1.00 0.00 C ATOM 324 O VAL A 23 51.426 -24.431 -1.855 1.00 0.00 O ATOM 325 CB VAL A 23 50.827 -21.856 -3.051 1.00 0.00 C ATOM 326 CG1 VAL A 23 51.310 -22.315 -4.419 1.00 0.00 C ATOM 327 CG2 VAL A 23 50.275 -20.441 -3.119 1.00 0.00 C ATOM 0 H VAL A 23 49.735 -21.558 -0.830 1.00 0.00 H new ATOM 0 HA VAL A 23 48.906 -22.829 -3.172 1.00 0.00 H new ATOM 0 HB VAL A 23 51.680 -21.856 -2.372 1.00 0.00 H new ATOM 0 HG11 VAL A 23 52.061 -21.619 -4.792 1.00 0.00 H new ATOM 0 HG12 VAL A 23 51.748 -23.310 -4.335 1.00 0.00 H new ATOM 0 HG13 VAL A 23 50.468 -22.346 -5.111 1.00 0.00 H new ATOM 0 HG21 VAL A 23 51.040 -19.770 -3.511 1.00 0.00 H new ATOM 0 HG22 VAL A 23 49.405 -20.421 -3.775 1.00 0.00 H new ATOM 0 HG23 VAL A 23 49.984 -20.116 -2.120 1.00 0.00 H new ATOM 337 N ALA A 24 49.655 -25.191 -3.016 1.00 0.00 N ATOM 338 CA ALA A 24 50.114 -26.575 -3.021 1.00 0.00 C ATOM 339 C ALA A 24 51.159 -26.802 -4.108 1.00 0.00 C ATOM 340 O ALA A 24 52.194 -27.424 -3.868 1.00 0.00 O ATOM 341 CB ALA A 24 48.936 -27.520 -3.212 1.00 0.00 C ATOM 0 H ALA A 24 48.767 -25.039 -3.494 1.00 0.00 H new ATOM 0 HA ALA A 24 50.579 -26.782 -2.057 1.00 0.00 H new ATOM 0 HB1 ALA A 24 49.292 -28.550 -3.214 1.00 0.00 H new ATOM 0 HB2 ALA A 24 48.224 -27.384 -2.398 1.00 0.00 H new ATOM 0 HB3 ALA A 24 48.446 -27.304 -4.162 1.00 0.00 H new ATOM 347 N THR A 25 50.881 -26.296 -5.305 1.00 0.00 N ATOM 348 CA THR A 25 51.796 -26.446 -6.430 1.00 0.00 C ATOM 349 C THR A 25 51.758 -25.221 -7.337 1.00 0.00 C ATOM 350 O THR A 25 50.702 -24.620 -7.542 1.00 0.00 O ATOM 351 CB THR A 25 51.462 -27.698 -7.263 1.00 0.00 C ATOM 352 OG1 THR A 25 51.311 -28.832 -6.402 1.00 0.00 O ATOM 353 CG2 THR A 25 52.553 -27.973 -8.286 1.00 0.00 C ATOM 0 H THR A 25 50.029 -25.778 -5.521 1.00 0.00 H new ATOM 0 HA THR A 25 52.797 -26.554 -6.011 1.00 0.00 H new ATOM 0 HB THR A 25 50.527 -27.517 -7.793 1.00 0.00 H new ATOM 0 HG1 THR A 25 51.097 -29.624 -6.938 1.00 0.00 H new ATOM 0 HG21 THR A 25 52.296 -28.862 -8.862 1.00 0.00 H new ATOM 0 HG22 THR A 25 52.646 -27.119 -8.957 1.00 0.00 H new ATOM 0 HG23 THR A 25 53.501 -28.136 -7.773 1.00 0.00 H new ATOM 361 N LEU A 26 52.914 -24.856 -7.878 1.00 0.00 N ATOM 362 CA LEU A 26 53.013 -23.702 -8.766 1.00 0.00 C ATOM 363 C LEU A 26 53.662 -24.088 -10.091 1.00 0.00 C ATOM 364 O LEU A 26 54.882 -24.218 -10.183 1.00 0.00 O ATOM 365 CB LEU A 26 53.819 -22.587 -8.096 1.00 0.00 C ATOM 366 CG LEU A 26 53.018 -21.374 -7.620 1.00 0.00 C ATOM 367 CD1 LEU A 26 53.818 -20.572 -6.605 1.00 0.00 C ATOM 368 CD2 LEU A 26 52.623 -20.499 -8.801 1.00 0.00 C ATOM 0 H LEU A 26 53.796 -25.342 -7.718 1.00 0.00 H new ATOM 0 HA LEU A 26 52.004 -23.342 -8.968 1.00 0.00 H new ATOM 0 HB2 LEU A 26 54.344 -23.010 -7.239 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.579 -22.243 -8.798 1.00 0.00 H new ATOM 0 HG LEU A 26 52.108 -21.730 -7.137 1.00 0.00 H new ATOM 0 HD11 LEU A 26 53.233 -19.713 -6.277 1.00 0.00 H new ATOM 0 HD12 LEU A 26 54.051 -21.201 -5.746 1.00 0.00 H new ATOM 0 HD13 LEU A 26 54.745 -20.226 -7.063 1.00 0.00 H new ATOM 0 HD21 LEU A 26 52.054 -19.641 -8.444 1.00 0.00 H new ATOM 0 HD22 LEU A 26 53.521 -20.152 -9.313 1.00 0.00 H new ATOM 0 HD23 LEU A 26 52.011 -21.077 -9.494 1.00 0.00 H new ATOM 380 N LYS A 27 52.837 -24.268 -11.117 1.00 0.00 N ATOM 381 CA LYS A 27 53.329 -24.635 -12.439 1.00 0.00 C ATOM 382 C LYS A 27 53.634 -23.394 -13.271 1.00 0.00 C ATOM 383 O LYS A 27 53.597 -22.272 -12.765 1.00 0.00 O ATOM 384 CB LYS A 27 52.301 -25.507 -13.164 1.00 0.00 C ATOM 385 CG LYS A 27 51.850 -26.713 -12.359 1.00 0.00 C ATOM 386 CD LYS A 27 52.952 -27.753 -12.246 1.00 0.00 C ATOM 387 CE LYS A 27 52.430 -29.152 -12.532 1.00 0.00 C ATOM 388 NZ LYS A 27 52.539 -29.501 -13.976 1.00 0.00 N ATOM 0 H LYS A 27 51.824 -24.166 -11.058 1.00 0.00 H new ATOM 0 HA LYS A 27 54.252 -25.201 -12.311 1.00 0.00 H new ATOM 0 HB2 LYS A 27 51.430 -24.899 -13.410 1.00 0.00 H new ATOM 0 HB3 LYS A 27 52.728 -25.849 -14.107 1.00 0.00 H new ATOM 0 HG2 LYS A 27 51.547 -26.393 -11.362 1.00 0.00 H new ATOM 0 HG3 LYS A 27 50.974 -27.159 -12.830 1.00 0.00 H new ATOM 0 HD2 LYS A 27 53.753 -27.513 -12.945 1.00 0.00 H new ATOM 0 HD3 LYS A 27 53.382 -27.722 -11.245 1.00 0.00 H new ATOM 0 HE2 LYS A 27 52.990 -29.876 -11.940 1.00 0.00 H new ATOM 0 HE3 LYS A 27 51.388 -29.222 -12.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 52.173 -30.462 -14.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 51.984 -28.825 -14.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 53.536 -29.460 -14.269 1.00 0.00 H new ATOM 402 N ASP A 28 53.935 -23.602 -14.548 1.00 0.00 N ATOM 403 CA ASP A 28 54.244 -22.498 -15.450 1.00 0.00 C ATOM 404 C ASP A 28 53.022 -22.115 -16.279 1.00 0.00 C ATOM 405 O ASP A 28 53.123 -21.890 -17.484 1.00 0.00 O ATOM 406 CB ASP A 28 55.403 -22.876 -16.373 1.00 0.00 C ATOM 407 CG ASP A 28 56.733 -22.918 -15.646 1.00 0.00 C ATOM 408 OD1 ASP A 28 56.839 -23.658 -14.646 1.00 0.00 O ATOM 409 OD2 ASP A 28 57.667 -22.210 -16.076 1.00 0.00 O ATOM 0 H ASP A 28 53.972 -24.524 -14.982 1.00 0.00 H new ATOM 0 HA ASP A 28 54.535 -21.638 -14.846 1.00 0.00 H new ATOM 0 HB2 ASP A 28 55.205 -23.851 -16.819 1.00 0.00 H new ATOM 0 HB3 ASP A 28 55.462 -22.157 -17.190 1.00 0.00 H new ATOM 414 N ASN A 29 51.868 -22.043 -15.623 1.00 0.00 N ATOM 415 CA ASN A 29 50.626 -21.688 -16.300 1.00 0.00 C ATOM 416 C ASN A 29 49.473 -21.592 -15.305 1.00 0.00 C ATOM 417 O ASN A 29 48.594 -20.740 -15.437 1.00 0.00 O ATOM 418 CB ASN A 29 50.297 -22.720 -17.380 1.00 0.00 C ATOM 419 CG ASN A 29 50.671 -24.130 -16.967 1.00 0.00 C ATOM 420 OD1 ASN A 29 50.344 -24.573 -15.866 1.00 0.00 O ATOM 421 ND2 ASN A 29 51.359 -24.842 -17.851 1.00 0.00 N ATOM 0 H ASN A 29 51.767 -22.226 -14.625 1.00 0.00 H new ATOM 0 HA ASN A 29 50.762 -20.713 -16.768 1.00 0.00 H new ATOM 0 HB2 ASN A 29 49.231 -22.681 -17.603 1.00 0.00 H new ATOM 0 HB3 ASN A 29 50.825 -22.461 -18.298 1.00 0.00 H new ATOM 0 HD21 ASN A 29 51.638 -25.798 -17.630 1.00 0.00 H new ATOM 0 HD22 ASN A 29 51.608 -24.434 -18.752 1.00 0.00 H new ATOM 428 N PHE A 30 49.484 -22.471 -14.308 1.00 0.00 N ATOM 429 CA PHE A 30 48.439 -22.486 -13.291 1.00 0.00 C ATOM 430 C PHE A 30 48.946 -23.124 -12.000 1.00 0.00 C ATOM 431 O PHE A 30 49.819 -23.990 -12.025 1.00 0.00 O ATOM 432 CB PHE A 30 47.212 -23.245 -13.800 1.00 0.00 C ATOM 433 CG PHE A 30 47.535 -24.604 -14.353 1.00 0.00 C ATOM 434 CD1 PHE A 30 47.929 -25.633 -13.513 1.00 0.00 C ATOM 435 CD2 PHE A 30 47.445 -24.852 -15.714 1.00 0.00 C ATOM 436 CE1 PHE A 30 48.226 -26.884 -14.019 1.00 0.00 C ATOM 437 CE2 PHE A 30 47.740 -26.101 -16.225 1.00 0.00 C ATOM 438 CZ PHE A 30 48.133 -27.118 -15.377 1.00 0.00 C ATOM 0 H PHE A 30 50.205 -23.182 -14.183 1.00 0.00 H new ATOM 0 HA PHE A 30 48.157 -21.454 -13.080 1.00 0.00 H new ATOM 0 HB2 PHE A 30 46.498 -23.354 -12.984 1.00 0.00 H new ATOM 0 HB3 PHE A 30 46.724 -22.653 -14.574 1.00 0.00 H new ATOM 0 HD1 PHE A 30 48.005 -25.455 -12.450 1.00 0.00 H new ATOM 0 HD2 PHE A 30 47.141 -24.060 -16.382 1.00 0.00 H new ATOM 0 HE1 PHE A 30 48.531 -27.678 -13.353 1.00 0.00 H new ATOM 0 HE2 PHE A 30 47.663 -26.282 -17.287 1.00 0.00 H new ATOM 0 HZ PHE A 30 48.367 -28.094 -15.775 1.00 0.00 H new ATOM 448 N GLY A 31 48.392 -22.687 -10.874 1.00 0.00 N ATOM 449 CA GLY A 31 48.800 -23.224 -9.589 1.00 0.00 C ATOM 450 C GLY A 31 47.709 -24.045 -8.930 1.00 0.00 C ATOM 451 O GLY A 31 46.659 -24.287 -9.526 1.00 0.00 O ATOM 0 H GLY A 31 47.668 -21.970 -10.828 1.00 0.00 H new ATOM 0 HA2 GLY A 31 49.686 -23.844 -9.723 1.00 0.00 H new ATOM 0 HA3 GLY A 31 49.082 -22.404 -8.929 1.00 0.00 H new ATOM 455 N PHE A 32 47.956 -24.476 -7.698 1.00 0.00 N ATOM 456 CA PHE A 32 46.987 -25.276 -6.959 1.00 0.00 C ATOM 457 C PHE A 32 46.889 -24.809 -5.510 1.00 0.00 C ATOM 458 O PHE A 32 47.857 -24.303 -4.942 1.00 0.00 O ATOM 459 CB PHE A 32 47.376 -26.756 -7.004 1.00 0.00 C ATOM 460 CG PHE A 32 46.906 -27.461 -8.245 1.00 0.00 C ATOM 461 CD1 PHE A 32 45.574 -27.811 -8.396 1.00 0.00 C ATOM 462 CD2 PHE A 32 47.797 -27.773 -9.259 1.00 0.00 C ATOM 463 CE1 PHE A 32 45.140 -28.461 -9.536 1.00 0.00 C ATOM 464 CE2 PHE A 32 47.368 -28.422 -10.402 1.00 0.00 C ATOM 465 CZ PHE A 32 46.037 -28.766 -10.541 1.00 0.00 C ATOM 0 H PHE A 32 48.820 -24.285 -7.190 1.00 0.00 H new ATOM 0 HA PHE A 32 46.013 -25.148 -7.430 1.00 0.00 H new ATOM 0 HB2 PHE A 32 48.461 -26.841 -6.936 1.00 0.00 H new ATOM 0 HB3 PHE A 32 46.962 -27.259 -6.131 1.00 0.00 H new ATOM 0 HD1 PHE A 32 44.867 -27.573 -7.615 1.00 0.00 H new ATOM 0 HD2 PHE A 32 48.838 -27.506 -9.155 1.00 0.00 H new ATOM 0 HE1 PHE A 32 44.099 -28.730 -9.641 1.00 0.00 H new ATOM 0 HE2 PHE A 32 48.072 -28.660 -11.185 1.00 0.00 H new ATOM 0 HZ PHE A 32 45.699 -29.272 -11.433 1.00 0.00 H new ATOM 475 N ILE A 33 45.712 -24.983 -4.917 1.00 0.00 N ATOM 476 CA ILE A 33 45.486 -24.580 -3.535 1.00 0.00 C ATOM 477 C ILE A 33 44.955 -25.743 -2.703 1.00 0.00 C ATOM 478 O ILE A 33 43.897 -26.298 -2.999 1.00 0.00 O ATOM 479 CB ILE A 33 44.495 -23.405 -3.446 1.00 0.00 C ATOM 480 CG1 ILE A 33 44.999 -22.221 -4.273 1.00 0.00 C ATOM 481 CG2 ILE A 33 44.288 -22.996 -1.995 1.00 0.00 C ATOM 482 CD1 ILE A 33 43.980 -21.112 -4.424 1.00 0.00 C ATOM 0 H ILE A 33 44.901 -25.400 -5.373 1.00 0.00 H new ATOM 0 HA ILE A 33 46.450 -24.262 -3.137 1.00 0.00 H new ATOM 0 HB ILE A 33 43.536 -23.725 -3.853 1.00 0.00 H new ATOM 0 HG12 ILE A 33 45.897 -21.817 -3.805 1.00 0.00 H new ATOM 0 HG13 ILE A 33 45.287 -22.576 -5.262 1.00 0.00 H new ATOM 0 HG21 ILE A 33 43.585 -22.164 -1.948 1.00 0.00 H new ATOM 0 HG22 ILE A 33 43.889 -23.840 -1.432 1.00 0.00 H new ATOM 0 HG23 ILE A 33 45.241 -22.690 -1.564 1.00 0.00 H new ATOM 0 HD11 ILE A 33 44.406 -20.306 -5.022 1.00 0.00 H new ATOM 0 HD12 ILE A 33 43.090 -21.500 -4.920 1.00 0.00 H new ATOM 0 HD13 ILE A 33 43.709 -20.730 -3.440 1.00 0.00 H new ATOM 494 N GLU A 34 45.696 -26.105 -1.661 1.00 0.00 N ATOM 495 CA GLU A 34 45.299 -27.202 -0.786 1.00 0.00 C ATOM 496 C GLU A 34 44.412 -26.698 0.349 1.00 0.00 C ATOM 497 O GLU A 34 44.747 -25.729 1.032 1.00 0.00 O ATOM 498 CB GLU A 34 46.534 -27.899 -0.212 1.00 0.00 C ATOM 499 CG GLU A 34 46.779 -29.280 -0.795 1.00 0.00 C ATOM 500 CD GLU A 34 48.242 -29.677 -0.760 1.00 0.00 C ATOM 501 OE1 GLU A 34 49.050 -28.912 -0.194 1.00 0.00 O ATOM 502 OE2 GLU A 34 48.579 -30.752 -1.299 1.00 0.00 O ATOM 0 H GLU A 34 46.574 -25.655 -1.402 1.00 0.00 H new ATOM 0 HA GLU A 34 44.730 -27.918 -1.379 1.00 0.00 H new ATOM 0 HB2 GLU A 34 47.410 -27.276 -0.394 1.00 0.00 H new ATOM 0 HB3 GLU A 34 46.423 -27.985 0.869 1.00 0.00 H new ATOM 0 HG2 GLU A 34 46.194 -30.013 -0.240 1.00 0.00 H new ATOM 0 HG3 GLU A 34 46.425 -29.303 -1.826 1.00 0.00 H new ATOM 509 N THR A 35 43.277 -27.362 0.546 1.00 0.00 N ATOM 510 CA THR A 35 42.341 -26.981 1.596 1.00 0.00 C ATOM 511 C THR A 35 42.862 -27.385 2.970 1.00 0.00 C ATOM 512 O THR A 35 43.748 -28.232 3.084 1.00 0.00 O ATOM 513 CB THR A 35 40.958 -27.624 1.375 1.00 0.00 C ATOM 514 OG1 THR A 35 41.078 -29.050 1.357 1.00 0.00 O ATOM 515 CG2 THR A 35 40.341 -27.145 0.070 1.00 0.00 C ATOM 0 H THR A 35 42.984 -28.167 -0.008 1.00 0.00 H new ATOM 0 HA THR A 35 42.241 -25.896 1.553 1.00 0.00 H new ATOM 0 HB THR A 35 40.307 -27.325 2.197 1.00 0.00 H new ATOM 0 HG1 THR A 35 40.195 -29.451 1.218 1.00 0.00 H new ATOM 0 HG21 THR A 35 39.365 -27.612 -0.064 1.00 0.00 H new ATOM 0 HG22 THR A 35 40.224 -26.062 0.099 1.00 0.00 H new ATOM 0 HG23 THR A 35 40.991 -27.417 -0.761 1.00 0.00 H new ATOM 523 N ALA A 36 42.307 -26.774 4.012 1.00 0.00 N ATOM 524 CA ALA A 36 42.715 -27.072 5.379 1.00 0.00 C ATOM 525 C ALA A 36 42.552 -28.556 5.689 1.00 0.00 C ATOM 526 O ALA A 36 43.345 -29.135 6.430 1.00 0.00 O ATOM 527 CB ALA A 36 41.913 -26.233 6.363 1.00 0.00 C ATOM 0 H ALA A 36 41.573 -26.069 3.935 1.00 0.00 H new ATOM 0 HA ALA A 36 43.771 -26.821 5.481 1.00 0.00 H new ATOM 0 HB1 ALA A 36 42.228 -26.465 7.380 1.00 0.00 H new ATOM 0 HB2 ALA A 36 42.084 -25.175 6.163 1.00 0.00 H new ATOM 0 HB3 ALA A 36 40.852 -26.456 6.251 1.00 0.00 H new ATOM 533 N ASN A 37 41.518 -29.165 5.118 1.00 0.00 N ATOM 534 CA ASN A 37 41.250 -30.582 5.336 1.00 0.00 C ATOM 535 C ASN A 37 42.286 -31.447 4.624 1.00 0.00 C ATOM 536 O ASN A 37 42.525 -32.592 5.009 1.00 0.00 O ATOM 537 CB ASN A 37 39.846 -30.939 4.843 1.00 0.00 C ATOM 538 CG ASN A 37 38.787 -29.996 5.382 1.00 0.00 C ATOM 539 OD1 ASN A 37 38.275 -29.142 4.658 1.00 0.00 O ATOM 540 ND2 ASN A 37 38.455 -30.148 6.658 1.00 0.00 N ATOM 0 H ASN A 37 40.852 -28.700 4.501 1.00 0.00 H new ATOM 0 HA ASN A 37 41.313 -30.778 6.406 1.00 0.00 H new ATOM 0 HB2 ASN A 37 39.829 -30.915 3.753 1.00 0.00 H new ATOM 0 HB3 ASN A 37 39.607 -31.959 5.143 1.00 0.00 H new ATOM 0 HD21 ASN A 37 37.749 -29.543 7.077 1.00 0.00 H new ATOM 0 HD22 ASN A 37 38.906 -30.870 7.220 1.00 0.00 H new ATOM 547 N HIS A 38 42.899 -30.890 3.584 1.00 0.00 N ATOM 548 CA HIS A 38 43.911 -31.610 2.818 1.00 0.00 C ATOM 549 C HIS A 38 43.309 -32.838 2.142 1.00 0.00 C ATOM 550 O HIS A 38 43.556 -33.971 2.557 1.00 0.00 O ATOM 551 CB HIS A 38 45.066 -32.029 3.728 1.00 0.00 C ATOM 552 CG HIS A 38 46.350 -32.267 2.994 1.00 0.00 C ATOM 553 ND1 HIS A 38 47.506 -32.689 3.617 1.00 0.00 N ATOM 554 CD2 HIS A 38 46.657 -32.140 1.682 1.00 0.00 C ATOM 555 CE1 HIS A 38 48.468 -32.810 2.720 1.00 0.00 C ATOM 556 NE2 HIS A 38 47.978 -32.483 1.537 1.00 0.00 N ATOM 0 H HIS A 38 42.713 -29.943 3.253 1.00 0.00 H new ATOM 0 HA HIS A 38 44.291 -30.942 2.045 1.00 0.00 H new ATOM 0 HB2 HIS A 38 45.225 -31.256 4.480 1.00 0.00 H new ATOM 0 HB3 HIS A 38 44.787 -32.938 4.260 1.00 0.00 H new ATOM 0 HD2 HIS A 38 45.987 -31.827 0.895 1.00 0.00 H new ATOM 0 HE1 HIS A 38 49.482 -33.123 2.919 1.00 0.00 H new ATOM 0 HE2 HIS A 38 48.497 -32.485 0.659 1.00 0.00 H new ATOM 564 N ASP A 39 42.519 -32.605 1.100 1.00 0.00 N ATOM 565 CA ASP A 39 41.882 -33.693 0.366 1.00 0.00 C ATOM 566 C ASP A 39 41.702 -33.324 -1.104 1.00 0.00 C ATOM 567 O ASP A 39 42.025 -34.109 -1.996 1.00 0.00 O ATOM 568 CB ASP A 39 40.526 -34.032 0.989 1.00 0.00 C ATOM 569 CG ASP A 39 40.579 -35.282 1.845 1.00 0.00 C ATOM 570 OD1 ASP A 39 41.036 -36.329 1.339 1.00 0.00 O ATOM 571 OD2 ASP A 39 40.165 -35.213 3.020 1.00 0.00 O ATOM 0 H ASP A 39 42.304 -31.673 0.744 1.00 0.00 H new ATOM 0 HA ASP A 39 42.530 -34.568 0.426 1.00 0.00 H new ATOM 0 HB2 ASP A 39 40.189 -33.193 1.597 1.00 0.00 H new ATOM 0 HB3 ASP A 39 39.789 -34.168 0.197 1.00 0.00 H new ATOM 576 N LYS A 40 41.184 -32.125 -1.349 1.00 0.00 N ATOM 577 CA LYS A 40 40.961 -31.651 -2.709 1.00 0.00 C ATOM 578 C LYS A 40 41.706 -30.344 -2.959 1.00 0.00 C ATOM 579 O LYS A 40 41.831 -29.510 -2.062 1.00 0.00 O ATOM 580 CB LYS A 40 39.465 -31.455 -2.964 1.00 0.00 C ATOM 581 CG LYS A 40 39.101 -31.394 -4.438 1.00 0.00 C ATOM 582 CD LYS A 40 38.630 -30.007 -4.839 1.00 0.00 C ATOM 583 CE LYS A 40 37.112 -29.924 -4.878 1.00 0.00 C ATOM 584 NZ LYS A 40 36.580 -28.996 -3.842 1.00 0.00 N ATOM 0 H LYS A 40 40.911 -31.464 -0.622 1.00 0.00 H new ATOM 0 HA LYS A 40 41.345 -32.404 -3.397 1.00 0.00 H new ATOM 0 HB2 LYS A 40 38.915 -32.272 -2.496 1.00 0.00 H new ATOM 0 HB3 LYS A 40 39.140 -30.534 -2.480 1.00 0.00 H new ATOM 0 HG2 LYS A 40 39.966 -31.673 -5.039 1.00 0.00 H new ATOM 0 HG3 LYS A 40 38.317 -32.121 -4.650 1.00 0.00 H new ATOM 0 HD2 LYS A 40 39.018 -29.272 -4.134 1.00 0.00 H new ATOM 0 HD3 LYS A 40 39.035 -29.753 -5.819 1.00 0.00 H new ATOM 0 HE2 LYS A 40 36.792 -29.589 -5.865 1.00 0.00 H new ATOM 0 HE3 LYS A 40 36.690 -30.918 -4.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 35.542 -28.967 -3.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 36.864 -29.330 -2.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 36.962 -28.042 -4.001 1.00 0.00 H new ATOM 598 N GLU A 41 42.196 -30.171 -4.182 1.00 0.00 N ATOM 599 CA GLU A 41 42.927 -28.964 -4.548 1.00 0.00 C ATOM 600 C GLU A 41 42.090 -28.078 -5.467 1.00 0.00 C ATOM 601 O GLU A 41 41.176 -28.554 -6.141 1.00 0.00 O ATOM 602 CB GLU A 41 44.245 -29.328 -5.235 1.00 0.00 C ATOM 603 CG GLU A 41 45.081 -30.330 -4.456 1.00 0.00 C ATOM 604 CD GLU A 41 44.800 -31.764 -4.862 1.00 0.00 C ATOM 605 OE1 GLU A 41 44.967 -32.086 -6.056 1.00 0.00 O ATOM 606 OE2 GLU A 41 44.414 -32.563 -3.983 1.00 0.00 O ATOM 0 H GLU A 41 42.100 -30.851 -4.936 1.00 0.00 H new ATOM 0 HA GLU A 41 43.142 -28.410 -3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 41 44.030 -29.737 -6.222 1.00 0.00 H new ATOM 0 HB3 GLU A 41 44.829 -28.420 -5.386 1.00 0.00 H new ATOM 0 HG2 GLU A 41 46.138 -30.113 -4.610 1.00 0.00 H new ATOM 0 HG3 GLU A 41 44.883 -30.212 -3.391 1.00 0.00 H new ATOM 613 N ILE A 42 42.409 -26.788 -5.487 1.00 0.00 N ATOM 614 CA ILE A 42 41.688 -25.836 -6.322 1.00 0.00 C ATOM 615 C ILE A 42 42.487 -25.486 -7.572 1.00 0.00 C ATOM 616 O ILE A 42 43.718 -25.461 -7.549 1.00 0.00 O ATOM 617 CB ILE A 42 41.367 -24.542 -5.552 1.00 0.00 C ATOM 618 CG1 ILE A 42 40.740 -24.871 -4.196 1.00 0.00 C ATOM 619 CG2 ILE A 42 40.439 -23.655 -6.369 1.00 0.00 C ATOM 620 CD1 ILE A 42 39.411 -25.586 -4.303 1.00 0.00 C ATOM 0 H ILE A 42 43.162 -26.379 -4.934 1.00 0.00 H new ATOM 0 HA ILE A 42 40.754 -26.316 -6.614 1.00 0.00 H new ATOM 0 HB ILE A 42 42.297 -24.000 -5.379 1.00 0.00 H new ATOM 0 HG12 ILE A 42 41.432 -25.491 -3.625 1.00 0.00 H new ATOM 0 HG13 ILE A 42 40.602 -23.947 -3.635 1.00 0.00 H new ATOM 0 HG21 ILE A 42 40.222 -22.744 -5.811 1.00 0.00 H new ATOM 0 HG22 ILE A 42 40.920 -23.396 -7.312 1.00 0.00 H new ATOM 0 HG23 ILE A 42 39.510 -24.188 -6.570 1.00 0.00 H new ATOM 0 HD11 ILE A 42 39.025 -25.788 -3.304 1.00 0.00 H new ATOM 0 HD12 ILE A 42 38.703 -24.959 -4.846 1.00 0.00 H new ATOM 0 HD13 ILE A 42 39.546 -26.527 -4.837 1.00 0.00 H new ATOM 632 N PHE A 43 41.779 -25.214 -8.664 1.00 0.00 N ATOM 633 CA PHE A 43 42.423 -24.863 -9.925 1.00 0.00 C ATOM 634 C PHE A 43 42.161 -23.403 -10.281 1.00 0.00 C ATOM 635 O PHE A 43 41.015 -22.995 -10.474 1.00 0.00 O ATOM 636 CB PHE A 43 41.920 -25.772 -11.048 1.00 0.00 C ATOM 637 CG PHE A 43 42.453 -25.403 -12.403 1.00 0.00 C ATOM 638 CD1 PHE A 43 41.798 -24.468 -13.188 1.00 0.00 C ATOM 639 CD2 PHE A 43 43.610 -25.990 -12.890 1.00 0.00 C ATOM 640 CE1 PHE A 43 42.287 -24.126 -14.435 1.00 0.00 C ATOM 641 CE2 PHE A 43 44.103 -25.650 -14.136 1.00 0.00 C ATOM 642 CZ PHE A 43 43.440 -24.718 -14.910 1.00 0.00 C ATOM 0 H PHE A 43 40.760 -25.230 -8.701 1.00 0.00 H new ATOM 0 HA PHE A 43 43.498 -25.003 -9.807 1.00 0.00 H new ATOM 0 HB2 PHE A 43 42.200 -26.801 -10.824 1.00 0.00 H new ATOM 0 HB3 PHE A 43 40.831 -25.736 -11.073 1.00 0.00 H new ATOM 0 HD1 PHE A 43 40.896 -24.001 -12.822 1.00 0.00 H new ATOM 0 HD2 PHE A 43 44.132 -26.721 -12.290 1.00 0.00 H new ATOM 0 HE1 PHE A 43 41.767 -23.396 -15.037 1.00 0.00 H new ATOM 0 HE2 PHE A 43 45.007 -26.113 -14.504 1.00 0.00 H new ATOM 0 HZ PHE A 43 43.823 -24.453 -15.885 1.00 0.00 H new ATOM 652 N PHE A 44 43.231 -22.620 -10.367 1.00 0.00 N ATOM 653 CA PHE A 44 43.119 -21.205 -10.699 1.00 0.00 C ATOM 654 C PHE A 44 44.097 -20.826 -11.807 1.00 0.00 C ATOM 655 O PHE A 44 45.246 -21.269 -11.814 1.00 0.00 O ATOM 656 CB PHE A 44 43.377 -20.346 -9.459 1.00 0.00 C ATOM 657 CG PHE A 44 44.811 -20.355 -9.012 1.00 0.00 C ATOM 658 CD1 PHE A 44 45.713 -19.430 -9.514 1.00 0.00 C ATOM 659 CD2 PHE A 44 45.257 -21.287 -8.090 1.00 0.00 C ATOM 660 CE1 PHE A 44 47.033 -19.437 -9.105 1.00 0.00 C ATOM 661 CE2 PHE A 44 46.577 -21.299 -7.677 1.00 0.00 C ATOM 662 CZ PHE A 44 47.465 -20.371 -8.185 1.00 0.00 C ATOM 0 H PHE A 44 44.186 -22.942 -10.211 1.00 0.00 H new ATOM 0 HA PHE A 44 42.106 -21.021 -11.055 1.00 0.00 H new ATOM 0 HB2 PHE A 44 43.077 -19.319 -9.669 1.00 0.00 H new ATOM 0 HB3 PHE A 44 42.748 -20.702 -8.643 1.00 0.00 H new ATOM 0 HD1 PHE A 44 45.381 -18.696 -10.233 1.00 0.00 H new ATOM 0 HD2 PHE A 44 44.566 -22.013 -7.689 1.00 0.00 H new ATOM 0 HE1 PHE A 44 47.726 -18.712 -9.505 1.00 0.00 H new ATOM 0 HE2 PHE A 44 46.913 -22.032 -6.959 1.00 0.00 H new ATOM 0 HZ PHE A 44 48.496 -20.376 -7.863 1.00 0.00 H new ATOM 672 N HIS A 45 43.634 -20.004 -12.743 1.00 0.00 N ATOM 673 CA HIS A 45 44.467 -19.565 -13.856 1.00 0.00 C ATOM 674 C HIS A 45 45.231 -18.294 -13.495 1.00 0.00 C ATOM 675 O HIS A 45 44.778 -17.500 -12.670 1.00 0.00 O ATOM 676 CB HIS A 45 43.610 -19.323 -15.098 1.00 0.00 C ATOM 677 CG HIS A 45 44.152 -19.971 -16.335 1.00 0.00 C ATOM 678 ND1 HIS A 45 44.532 -19.258 -17.453 1.00 0.00 N ATOM 679 CD2 HIS A 45 44.378 -21.273 -16.626 1.00 0.00 C ATOM 680 CE1 HIS A 45 44.967 -20.094 -18.379 1.00 0.00 C ATOM 681 NE2 HIS A 45 44.885 -21.323 -17.902 1.00 0.00 N ATOM 0 H HIS A 45 42.686 -19.628 -12.753 1.00 0.00 H new ATOM 0 HA HIS A 45 45.189 -20.353 -14.070 1.00 0.00 H new ATOM 0 HB2 HIS A 45 42.603 -19.697 -14.913 1.00 0.00 H new ATOM 0 HB3 HIS A 45 43.525 -18.250 -15.267 1.00 0.00 H new ATOM 0 HD2 HIS A 45 44.194 -22.116 -15.976 1.00 0.00 H new ATOM 0 HE1 HIS A 45 45.328 -19.819 -19.359 1.00 0.00 H new ATOM 0 HE2 HIS A 45 45.154 -22.171 -18.400 1.00 0.00 H new ATOM 689 N TYR A 46 46.389 -18.109 -14.117 1.00 0.00 N ATOM 690 CA TYR A 46 47.217 -16.936 -13.859 1.00 0.00 C ATOM 691 C TYR A 46 46.445 -15.651 -14.145 1.00 0.00 C ATOM 692 O TYR A 46 46.614 -14.646 -13.455 1.00 0.00 O ATOM 693 CB TYR A 46 48.485 -16.983 -14.713 1.00 0.00 C ATOM 694 CG TYR A 46 49.681 -17.561 -13.990 1.00 0.00 C ATOM 695 CD1 TYR A 46 49.582 -18.756 -13.289 1.00 0.00 C ATOM 696 CD2 TYR A 46 50.909 -16.912 -14.010 1.00 0.00 C ATOM 697 CE1 TYR A 46 50.672 -19.287 -12.626 1.00 0.00 C ATOM 698 CE2 TYR A 46 52.004 -17.436 -13.351 1.00 0.00 C ATOM 699 CZ TYR A 46 51.881 -18.624 -12.661 1.00 0.00 C ATOM 700 OH TYR A 46 52.969 -19.150 -12.003 1.00 0.00 O ATOM 0 H TYR A 46 46.777 -18.756 -14.804 1.00 0.00 H new ATOM 0 HA TYR A 46 47.496 -16.944 -12.805 1.00 0.00 H new ATOM 0 HB2 TYR A 46 48.290 -17.576 -15.606 1.00 0.00 H new ATOM 0 HB3 TYR A 46 48.726 -15.974 -15.047 1.00 0.00 H new ATOM 0 HD1 TYR A 46 48.637 -19.279 -13.262 1.00 0.00 H new ATOM 0 HD2 TYR A 46 51.009 -15.982 -14.550 1.00 0.00 H new ATOM 0 HE1 TYR A 46 50.578 -20.216 -12.083 1.00 0.00 H new ATOM 0 HE2 TYR A 46 52.951 -16.918 -13.376 1.00 0.00 H new ATOM 0 HH TYR A 46 53.097 -20.082 -12.276 1.00 0.00 H new ATOM 710 N SER A 47 45.596 -15.693 -15.167 1.00 0.00 N ATOM 711 CA SER A 47 44.800 -14.533 -15.548 1.00 0.00 C ATOM 712 C SER A 47 43.780 -14.195 -14.464 1.00 0.00 C ATOM 713 O SER A 47 43.428 -13.032 -14.270 1.00 0.00 O ATOM 714 CB SER A 47 44.084 -14.791 -16.875 1.00 0.00 C ATOM 715 OG SER A 47 45.014 -15.013 -17.921 1.00 0.00 O ATOM 0 H SER A 47 45.442 -16.518 -15.746 1.00 0.00 H new ATOM 0 HA SER A 47 45.474 -13.685 -15.667 1.00 0.00 H new ATOM 0 HB2 SER A 47 43.429 -15.657 -16.776 1.00 0.00 H new ATOM 0 HB3 SER A 47 43.451 -13.939 -17.122 1.00 0.00 H new ATOM 0 HG SER A 47 44.532 -15.177 -18.758 1.00 0.00 H new ATOM 721 N GLU A 48 43.310 -15.221 -13.762 1.00 0.00 N ATOM 722 CA GLU A 48 42.330 -15.033 -12.699 1.00 0.00 C ATOM 723 C GLU A 48 42.985 -14.443 -11.453 1.00 0.00 C ATOM 724 O GLU A 48 42.334 -13.767 -10.656 1.00 0.00 O ATOM 725 CB GLU A 48 41.659 -16.364 -12.353 1.00 0.00 C ATOM 726 CG GLU A 48 40.943 -17.008 -13.529 1.00 0.00 C ATOM 727 CD GLU A 48 40.173 -18.253 -13.132 1.00 0.00 C ATOM 728 OE1 GLU A 48 39.287 -18.148 -12.258 1.00 0.00 O ATOM 729 OE2 GLU A 48 40.456 -19.331 -13.695 1.00 0.00 O ATOM 0 H GLU A 48 43.592 -16.190 -13.910 1.00 0.00 H new ATOM 0 HA GLU A 48 41.574 -14.334 -13.057 1.00 0.00 H new ATOM 0 HB2 GLU A 48 42.413 -17.054 -11.975 1.00 0.00 H new ATOM 0 HB3 GLU A 48 40.943 -16.202 -11.547 1.00 0.00 H new ATOM 0 HG2 GLU A 48 40.256 -16.286 -13.971 1.00 0.00 H new ATOM 0 HG3 GLU A 48 41.672 -17.266 -14.297 1.00 0.00 H new ATOM 736 N PHE A 49 44.278 -14.704 -11.292 1.00 0.00 N ATOM 737 CA PHE A 49 45.022 -14.200 -10.143 1.00 0.00 C ATOM 738 C PHE A 49 45.409 -12.738 -10.344 1.00 0.00 C ATOM 739 O PHE A 49 45.796 -12.332 -11.440 1.00 0.00 O ATOM 740 CB PHE A 49 46.277 -15.045 -9.911 1.00 0.00 C ATOM 741 CG PHE A 49 46.900 -14.835 -8.561 1.00 0.00 C ATOM 742 CD1 PHE A 49 47.753 -13.767 -8.335 1.00 0.00 C ATOM 743 CD2 PHE A 49 46.631 -15.705 -7.516 1.00 0.00 C ATOM 744 CE1 PHE A 49 48.328 -13.572 -7.093 1.00 0.00 C ATOM 745 CE2 PHE A 49 47.203 -15.515 -6.272 1.00 0.00 C ATOM 746 CZ PHE A 49 48.052 -14.447 -6.060 1.00 0.00 C ATOM 0 H PHE A 49 44.832 -15.261 -11.942 1.00 0.00 H new ATOM 0 HA PHE A 49 44.378 -14.269 -9.266 1.00 0.00 H new ATOM 0 HB2 PHE A 49 46.022 -16.099 -10.025 1.00 0.00 H new ATOM 0 HB3 PHE A 49 47.011 -14.810 -10.682 1.00 0.00 H new ATOM 0 HD1 PHE A 49 47.971 -13.079 -9.138 1.00 0.00 H new ATOM 0 HD2 PHE A 49 45.967 -16.541 -7.676 1.00 0.00 H new ATOM 0 HE1 PHE A 49 48.992 -12.736 -6.930 1.00 0.00 H new ATOM 0 HE2 PHE A 49 46.986 -16.201 -5.467 1.00 0.00 H new ATOM 0 HZ PHE A 49 48.499 -14.296 -5.089 1.00 0.00 H new ATOM 756 N SER A 50 45.301 -11.952 -9.277 1.00 0.00 N ATOM 757 CA SER A 50 45.635 -10.534 -9.337 1.00 0.00 C ATOM 758 C SER A 50 46.755 -10.198 -8.356 1.00 0.00 C ATOM 759 O SER A 50 46.526 -10.076 -7.153 1.00 0.00 O ATOM 760 CB SER A 50 44.401 -9.684 -9.029 1.00 0.00 C ATOM 761 OG SER A 50 43.238 -10.489 -8.935 1.00 0.00 O ATOM 0 H SER A 50 44.985 -12.273 -8.362 1.00 0.00 H new ATOM 0 HA SER A 50 45.979 -10.310 -10.347 1.00 0.00 H new ATOM 0 HB2 SER A 50 44.551 -9.145 -8.093 1.00 0.00 H new ATOM 0 HB3 SER A 50 44.267 -8.935 -9.810 1.00 0.00 H new ATOM 0 HG SER A 50 42.463 -9.923 -8.736 1.00 0.00 H new ATOM 767 N GLY A 51 47.968 -10.049 -8.881 1.00 0.00 N ATOM 768 CA GLY A 51 49.106 -9.729 -8.039 1.00 0.00 C ATOM 769 C GLY A 51 50.409 -10.260 -8.600 1.00 0.00 C ATOM 770 O GLY A 51 50.560 -10.400 -9.814 1.00 0.00 O ATOM 0 H GLY A 51 48.182 -10.144 -9.874 1.00 0.00 H new ATOM 0 HA2 GLY A 51 49.177 -8.647 -7.925 1.00 0.00 H new ATOM 0 HA3 GLY A 51 48.946 -10.144 -7.044 1.00 0.00 H new ATOM 774 N ASP A 52 51.355 -10.557 -7.715 1.00 0.00 N ATOM 775 CA ASP A 52 52.654 -11.075 -8.129 1.00 0.00 C ATOM 776 C ASP A 52 52.643 -12.600 -8.166 1.00 0.00 C ATOM 777 O ASP A 52 53.255 -13.257 -7.323 1.00 0.00 O ATOM 778 CB ASP A 52 53.749 -10.584 -7.181 1.00 0.00 C ATOM 779 CG ASP A 52 53.858 -9.072 -7.158 1.00 0.00 C ATOM 780 OD1 ASP A 52 53.616 -8.443 -8.209 1.00 0.00 O ATOM 781 OD2 ASP A 52 54.188 -8.517 -6.088 1.00 0.00 O ATOM 0 H ASP A 52 51.246 -10.448 -6.707 1.00 0.00 H new ATOM 0 HA ASP A 52 52.862 -10.706 -9.133 1.00 0.00 H new ATOM 0 HB2 ASP A 52 53.543 -10.946 -6.174 1.00 0.00 H new ATOM 0 HB3 ASP A 52 54.706 -11.010 -7.483 1.00 0.00 H new ATOM 786 N VAL A 53 51.942 -13.158 -9.148 1.00 0.00 N ATOM 787 CA VAL A 53 51.852 -14.606 -9.296 1.00 0.00 C ATOM 788 C VAL A 53 53.154 -15.186 -9.837 1.00 0.00 C ATOM 789 O VAL A 53 53.468 -16.354 -9.606 1.00 0.00 O ATOM 790 CB VAL A 53 50.697 -15.003 -10.234 1.00 0.00 C ATOM 791 CG1 VAL A 53 50.972 -14.526 -11.652 1.00 0.00 C ATOM 792 CG2 VAL A 53 50.479 -16.509 -10.203 1.00 0.00 C ATOM 0 H VAL A 53 51.428 -12.629 -9.853 1.00 0.00 H new ATOM 0 HA VAL A 53 51.661 -15.014 -8.303 1.00 0.00 H new ATOM 0 HB VAL A 53 49.785 -14.519 -9.884 1.00 0.00 H new ATOM 0 HG11 VAL A 53 50.145 -14.816 -12.300 1.00 0.00 H new ATOM 0 HG12 VAL A 53 51.074 -13.441 -11.657 1.00 0.00 H new ATOM 0 HG13 VAL A 53 51.894 -14.979 -12.016 1.00 0.00 H new ATOM 0 HG21 VAL A 53 49.659 -16.772 -10.872 1.00 0.00 H new ATOM 0 HG22 VAL A 53 51.388 -17.015 -10.527 1.00 0.00 H new ATOM 0 HG23 VAL A 53 50.233 -16.820 -9.188 1.00 0.00 H new ATOM 802 N ASP A 54 53.907 -14.363 -10.557 1.00 0.00 N ATOM 803 CA ASP A 54 55.177 -14.793 -11.130 1.00 0.00 C ATOM 804 C ASP A 54 56.247 -14.917 -10.049 1.00 0.00 C ATOM 805 O ASP A 54 57.188 -15.700 -10.180 1.00 0.00 O ATOM 806 CB ASP A 54 55.635 -13.809 -12.208 1.00 0.00 C ATOM 807 CG ASP A 54 56.821 -14.326 -12.998 1.00 0.00 C ATOM 808 OD1 ASP A 54 56.750 -15.470 -13.494 1.00 0.00 O ATOM 809 OD2 ASP A 54 57.820 -13.587 -13.121 1.00 0.00 O ATOM 0 H ASP A 54 53.660 -13.394 -10.758 1.00 0.00 H new ATOM 0 HA ASP A 54 55.029 -15.773 -11.584 1.00 0.00 H new ATOM 0 HB2 ASP A 54 54.808 -13.610 -12.889 1.00 0.00 H new ATOM 0 HB3 ASP A 54 55.899 -12.860 -11.741 1.00 0.00 H new ATOM 814 N SER A 55 56.097 -14.138 -8.983 1.00 0.00 N ATOM 815 CA SER A 55 57.053 -14.156 -7.882 1.00 0.00 C ATOM 816 C SER A 55 56.442 -14.805 -6.643 1.00 0.00 C ATOM 817 O SER A 55 56.820 -14.491 -5.514 1.00 0.00 O ATOM 818 CB SER A 55 57.512 -12.734 -7.553 1.00 0.00 C ATOM 819 OG SER A 55 58.880 -12.713 -7.185 1.00 0.00 O ATOM 0 H SER A 55 55.322 -13.486 -8.858 1.00 0.00 H new ATOM 0 HA SER A 55 57.916 -14.746 -8.192 1.00 0.00 H new ATOM 0 HB2 SER A 55 57.354 -12.088 -8.417 1.00 0.00 H new ATOM 0 HB3 SER A 55 56.907 -12.332 -6.740 1.00 0.00 H new ATOM 0 HG SER A 55 59.150 -11.793 -6.981 1.00 0.00 H new ATOM 825 N LEU A 56 55.495 -15.710 -6.864 1.00 0.00 N ATOM 826 CA LEU A 56 54.830 -16.404 -5.766 1.00 0.00 C ATOM 827 C LEU A 56 55.704 -17.532 -5.227 1.00 0.00 C ATOM 828 O LEU A 56 56.587 -18.032 -5.922 1.00 0.00 O ATOM 829 CB LEU A 56 53.484 -16.963 -6.231 1.00 0.00 C ATOM 830 CG LEU A 56 52.247 -16.164 -5.820 1.00 0.00 C ATOM 831 CD1 LEU A 56 50.993 -16.773 -6.427 1.00 0.00 C ATOM 832 CD2 LEU A 56 52.132 -16.101 -4.304 1.00 0.00 C ATOM 0 H LEU A 56 55.170 -15.980 -7.792 1.00 0.00 H new ATOM 0 HA LEU A 56 54.660 -15.686 -4.964 1.00 0.00 H new ATOM 0 HB2 LEU A 56 53.500 -17.036 -7.318 1.00 0.00 H new ATOM 0 HB3 LEU A 56 53.382 -17.977 -5.845 1.00 0.00 H new ATOM 0 HG LEU A 56 52.352 -15.147 -6.199 1.00 0.00 H new ATOM 0 HD11 LEU A 56 50.123 -16.191 -6.124 1.00 0.00 H new ATOM 0 HD12 LEU A 56 51.074 -16.765 -7.514 1.00 0.00 H new ATOM 0 HD13 LEU A 56 50.882 -17.800 -6.079 1.00 0.00 H new ATOM 0 HD21 LEU A 56 51.246 -15.528 -4.030 1.00 0.00 H new ATOM 0 HD22 LEU A 56 52.050 -17.111 -3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 56 53.018 -15.618 -3.892 1.00 0.00 H new ATOM 844 N GLU A 57 55.448 -17.929 -3.984 1.00 0.00 N ATOM 845 CA GLU A 57 56.211 -18.999 -3.352 1.00 0.00 C ATOM 846 C GLU A 57 55.280 -20.045 -2.744 1.00 0.00 C ATOM 847 O GLU A 57 54.105 -19.775 -2.492 1.00 0.00 O ATOM 848 CB GLU A 57 57.132 -18.430 -2.271 1.00 0.00 C ATOM 849 CG GLU A 57 58.384 -17.771 -2.824 1.00 0.00 C ATOM 850 CD GLU A 57 59.658 -18.393 -2.285 1.00 0.00 C ATOM 851 OE1 GLU A 57 59.845 -18.388 -1.050 1.00 0.00 O ATOM 852 OE2 GLU A 57 60.467 -18.885 -3.099 1.00 0.00 O ATOM 0 H GLU A 57 54.719 -17.526 -3.395 1.00 0.00 H new ATOM 0 HA GLU A 57 56.818 -19.480 -4.119 1.00 0.00 H new ATOM 0 HB2 GLU A 57 56.578 -17.700 -1.681 1.00 0.00 H new ATOM 0 HB3 GLU A 57 57.423 -19.233 -1.594 1.00 0.00 H new ATOM 0 HG2 GLU A 57 58.379 -17.846 -3.911 1.00 0.00 H new ATOM 0 HG3 GLU A 57 58.370 -16.709 -2.578 1.00 0.00 H new ATOM 859 N LEU A 58 55.814 -21.239 -2.512 1.00 0.00 N ATOM 860 CA LEU A 58 55.032 -22.327 -1.934 1.00 0.00 C ATOM 861 C LEU A 58 54.792 -22.094 -0.446 1.00 0.00 C ATOM 862 O LEU A 58 55.654 -21.569 0.257 1.00 0.00 O ATOM 863 CB LEU A 58 55.747 -23.662 -2.144 1.00 0.00 C ATOM 864 CG LEU A 58 56.006 -24.064 -3.597 1.00 0.00 C ATOM 865 CD1 LEU A 58 57.164 -25.046 -3.681 1.00 0.00 C ATOM 866 CD2 LEU A 58 54.751 -24.662 -4.216 1.00 0.00 C ATOM 0 H LEU A 58 56.784 -21.479 -2.715 1.00 0.00 H new ATOM 0 HA LEU A 58 54.066 -22.356 -2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 58 56.703 -23.625 -1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 58 55.156 -24.446 -1.671 1.00 0.00 H new ATOM 0 HG LEU A 58 56.274 -23.170 -4.159 1.00 0.00 H new ATOM 0 HD11 LEU A 58 57.333 -25.321 -4.722 1.00 0.00 H new ATOM 0 HD12 LEU A 58 58.064 -24.583 -3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 58 56.926 -25.940 -3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 58 54.953 -24.942 -5.250 1.00 0.00 H new ATOM 0 HD22 LEU A 58 54.453 -25.546 -3.652 1.00 0.00 H new ATOM 0 HD23 LEU A 58 53.947 -23.927 -4.190 1.00 0.00 H new ATOM 878 N GLY A 59 53.615 -22.491 0.028 1.00 0.00 N ATOM 879 CA GLY A 59 53.284 -22.319 1.430 1.00 0.00 C ATOM 880 C GLY A 59 52.800 -20.917 1.744 1.00 0.00 C ATOM 881 O GLY A 59 52.762 -20.512 2.906 1.00 0.00 O ATOM 0 H GLY A 59 52.885 -22.929 -0.534 1.00 0.00 H new ATOM 0 HA2 GLY A 59 52.513 -23.037 1.709 1.00 0.00 H new ATOM 0 HA3 GLY A 59 54.161 -22.542 2.037 1.00 0.00 H new ATOM 885 N ASP A 60 52.433 -20.174 0.707 1.00 0.00 N ATOM 886 CA ASP A 60 51.950 -18.808 0.877 1.00 0.00 C ATOM 887 C ASP A 60 50.436 -18.786 1.061 1.00 0.00 C ATOM 888 O ASP A 60 49.726 -19.648 0.544 1.00 0.00 O ATOM 889 CB ASP A 60 52.343 -17.952 -0.328 1.00 0.00 C ATOM 890 CG ASP A 60 53.698 -17.295 -0.154 1.00 0.00 C ATOM 891 OD1 ASP A 60 54.516 -17.819 0.631 1.00 0.00 O ATOM 892 OD2 ASP A 60 53.941 -16.256 -0.803 1.00 0.00 O ATOM 0 H ASP A 60 52.460 -20.494 -0.261 1.00 0.00 H new ATOM 0 HA ASP A 60 52.412 -18.394 1.773 1.00 0.00 H new ATOM 0 HB2 ASP A 60 52.356 -18.574 -1.223 1.00 0.00 H new ATOM 0 HB3 ASP A 60 51.587 -17.183 -0.486 1.00 0.00 H new ATOM 897 N MET A 61 49.949 -17.795 1.800 1.00 0.00 N ATOM 898 CA MET A 61 48.519 -17.661 2.052 1.00 0.00 C ATOM 899 C MET A 61 47.842 -16.873 0.935 1.00 0.00 C ATOM 900 O MET A 61 48.367 -15.862 0.469 1.00 0.00 O ATOM 901 CB MET A 61 48.278 -16.971 3.396 1.00 0.00 C ATOM 902 CG MET A 61 48.056 -17.941 4.546 1.00 0.00 C ATOM 903 SD MET A 61 48.762 -17.352 6.097 1.00 0.00 S ATOM 904 CE MET A 61 50.500 -17.687 5.827 1.00 0.00 C ATOM 0 H MET A 61 50.523 -17.073 2.235 1.00 0.00 H new ATOM 0 HA MET A 61 48.086 -18.661 2.082 1.00 0.00 H new ATOM 0 HB2 MET A 61 49.133 -16.336 3.627 1.00 0.00 H new ATOM 0 HB3 MET A 61 47.410 -16.318 3.309 1.00 0.00 H new ATOM 0 HG2 MET A 61 46.986 -18.104 4.677 1.00 0.00 H new ATOM 0 HG3 MET A 61 48.497 -18.905 4.293 1.00 0.00 H new ATOM 0 HE1 MET A 61 51.100 -16.981 6.401 1.00 0.00 H new ATOM 0 HE2 MET A 61 50.729 -18.703 6.148 1.00 0.00 H new ATOM 0 HE3 MET A 61 50.731 -17.581 4.767 1.00 0.00 H new ATOM 914 N VAL A 62 46.674 -17.344 0.509 1.00 0.00 N ATOM 915 CA VAL A 62 45.925 -16.683 -0.554 1.00 0.00 C ATOM 916 C VAL A 62 44.426 -16.728 -0.279 1.00 0.00 C ATOM 917 O VAL A 62 43.943 -17.602 0.440 1.00 0.00 O ATOM 918 CB VAL A 62 46.205 -17.329 -1.923 1.00 0.00 C ATOM 919 CG1 VAL A 62 47.641 -17.072 -2.352 1.00 0.00 C ATOM 920 CG2 VAL A 62 45.912 -18.821 -1.877 1.00 0.00 C ATOM 0 H VAL A 62 46.226 -18.180 0.883 1.00 0.00 H new ATOM 0 HA VAL A 62 46.256 -15.645 -0.577 1.00 0.00 H new ATOM 0 HB VAL A 62 45.545 -16.875 -2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 62 47.820 -17.536 -3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 62 47.812 -15.998 -2.427 1.00 0.00 H new ATOM 0 HG13 VAL A 62 48.322 -17.497 -1.615 1.00 0.00 H new ATOM 0 HG21 VAL A 62 46.115 -19.262 -2.853 1.00 0.00 H new ATOM 0 HG22 VAL A 62 46.546 -19.293 -1.126 1.00 0.00 H new ATOM 0 HG23 VAL A 62 44.865 -18.978 -1.619 1.00 0.00 H new ATOM 930 N GLU A 63 43.695 -15.780 -0.857 1.00 0.00 N ATOM 931 CA GLU A 63 42.250 -15.712 -0.674 1.00 0.00 C ATOM 932 C GLU A 63 41.522 -15.974 -1.990 1.00 0.00 C ATOM 933 O GLU A 63 41.972 -15.552 -3.055 1.00 0.00 O ATOM 934 CB GLU A 63 41.848 -14.344 -0.120 1.00 0.00 C ATOM 935 CG GLU A 63 41.172 -14.413 1.240 1.00 0.00 C ATOM 936 CD GLU A 63 40.997 -13.047 1.874 1.00 0.00 C ATOM 937 OE1 GLU A 63 40.714 -12.081 1.135 1.00 0.00 O ATOM 938 OE2 GLU A 63 41.144 -12.944 3.110 1.00 0.00 O ATOM 0 H GLU A 63 44.079 -15.049 -1.456 1.00 0.00 H new ATOM 0 HA GLU A 63 41.963 -16.484 0.040 1.00 0.00 H new ATOM 0 HB2 GLU A 63 42.736 -13.717 -0.044 1.00 0.00 H new ATOM 0 HB3 GLU A 63 41.175 -13.859 -0.827 1.00 0.00 H new ATOM 0 HG2 GLU A 63 40.197 -14.888 1.133 1.00 0.00 H new ATOM 0 HG3 GLU A 63 41.763 -15.045 1.904 1.00 0.00 H new ATOM 945 N TYR A 64 40.396 -16.673 -1.906 1.00 0.00 N ATOM 946 CA TYR A 64 39.606 -16.994 -3.089 1.00 0.00 C ATOM 947 C TYR A 64 38.183 -17.387 -2.704 1.00 0.00 C ATOM 948 O TYR A 64 37.875 -17.571 -1.527 1.00 0.00 O ATOM 949 CB TYR A 64 40.266 -18.128 -3.875 1.00 0.00 C ATOM 950 CG TYR A 64 40.442 -19.398 -3.074 1.00 0.00 C ATOM 951 CD1 TYR A 64 41.557 -19.583 -2.265 1.00 0.00 C ATOM 952 CD2 TYR A 64 39.494 -20.413 -3.125 1.00 0.00 C ATOM 953 CE1 TYR A 64 41.722 -20.742 -1.531 1.00 0.00 C ATOM 954 CE2 TYR A 64 39.651 -21.574 -2.393 1.00 0.00 C ATOM 955 CZ TYR A 64 40.767 -21.734 -1.599 1.00 0.00 C ATOM 956 OH TYR A 64 40.928 -22.889 -0.868 1.00 0.00 O ATOM 0 H TYR A 64 40.010 -17.028 -1.031 1.00 0.00 H new ATOM 0 HA TYR A 64 39.560 -16.104 -3.717 1.00 0.00 H new ATOM 0 HB2 TYR A 64 39.664 -18.345 -4.757 1.00 0.00 H new ATOM 0 HB3 TYR A 64 41.241 -17.794 -4.229 1.00 0.00 H new ATOM 0 HD1 TYR A 64 42.307 -18.808 -2.209 1.00 0.00 H new ATOM 0 HD2 TYR A 64 38.620 -20.292 -3.747 1.00 0.00 H new ATOM 0 HE1 TYR A 64 42.594 -20.870 -0.907 1.00 0.00 H new ATOM 0 HE2 TYR A 64 38.904 -22.352 -2.442 1.00 0.00 H new ATOM 0 HH TYR A 64 40.167 -23.485 -1.027 1.00 0.00 H new ATOM 966 N SER A 65 37.320 -17.516 -3.707 1.00 0.00 N ATOM 967 CA SER A 65 35.929 -17.884 -3.475 1.00 0.00 C ATOM 968 C SER A 65 35.589 -19.195 -4.178 1.00 0.00 C ATOM 969 O SER A 65 36.394 -19.730 -4.943 1.00 0.00 O ATOM 970 CB SER A 65 34.997 -16.774 -3.964 1.00 0.00 C ATOM 971 OG SER A 65 34.688 -15.870 -2.917 1.00 0.00 O ATOM 0 H SER A 65 37.560 -17.371 -4.688 1.00 0.00 H new ATOM 0 HA SER A 65 35.789 -18.020 -2.403 1.00 0.00 H new ATOM 0 HB2 SER A 65 35.468 -16.236 -4.787 1.00 0.00 H new ATOM 0 HB3 SER A 65 34.078 -17.212 -4.354 1.00 0.00 H new ATOM 0 HG SER A 65 34.092 -15.169 -3.255 1.00 0.00 H new ATOM 977 N LEU A 66 34.392 -19.708 -3.915 1.00 0.00 N ATOM 978 CA LEU A 66 33.944 -20.956 -4.522 1.00 0.00 C ATOM 979 C LEU A 66 32.550 -20.801 -5.121 1.00 0.00 C ATOM 980 O LEU A 66 31.610 -20.400 -4.435 1.00 0.00 O ATOM 981 CB LEU A 66 33.943 -22.080 -3.484 1.00 0.00 C ATOM 982 CG LEU A 66 35.302 -22.438 -2.881 1.00 0.00 C ATOM 983 CD1 LEU A 66 35.145 -23.500 -1.804 1.00 0.00 C ATOM 984 CD2 LEU A 66 36.257 -22.914 -3.966 1.00 0.00 C ATOM 0 H LEU A 66 33.714 -19.279 -3.285 1.00 0.00 H new ATOM 0 HA LEU A 66 34.638 -21.210 -5.323 1.00 0.00 H new ATOM 0 HB2 LEU A 66 33.271 -21.798 -2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 66 33.526 -22.975 -3.947 1.00 0.00 H new ATOM 0 HG LEU A 66 35.722 -21.543 -2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 66 36.122 -23.742 -1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 66 34.496 -23.123 -1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 66 34.704 -24.397 -2.239 1.00 0.00 H new ATOM 0 HD21 LEU A 66 37.219 -23.165 -3.519 1.00 0.00 H new ATOM 0 HD22 LEU A 66 35.843 -23.796 -4.454 1.00 0.00 H new ATOM 0 HD23 LEU A 66 36.394 -22.123 -4.703 1.00 0.00 H new ATOM 1117 N SER A 75 36.609 -24.963 -8.666 1.00 0.00 N ATOM 1118 CA SER A 75 37.727 -24.080 -8.977 1.00 0.00 C ATOM 1119 C SER A 75 37.581 -22.743 -8.257 1.00 0.00 C ATOM 1120 O SER A 75 36.536 -22.450 -7.676 1.00 0.00 O ATOM 1121 CB SER A 75 37.818 -23.851 -10.487 1.00 0.00 C ATOM 1122 OG SER A 75 36.563 -24.062 -11.112 1.00 0.00 O ATOM 0 HA SER A 75 38.643 -24.560 -8.633 1.00 0.00 H new ATOM 0 HB2 SER A 75 38.159 -22.835 -10.684 1.00 0.00 H new ATOM 0 HB3 SER A 75 38.559 -24.525 -10.916 1.00 0.00 H new ATOM 0 HG SER A 75 36.038 -24.699 -10.584 1.00 0.00 H new ATOM 1128 N ALA A 76 38.636 -21.936 -8.299 1.00 0.00 N ATOM 1129 CA ALA A 76 38.625 -20.630 -7.653 1.00 0.00 C ATOM 1130 C ALA A 76 38.413 -19.515 -8.671 1.00 0.00 C ATOM 1131 O ALA A 76 38.679 -19.690 -9.860 1.00 0.00 O ATOM 1132 CB ALA A 76 39.922 -20.409 -6.888 1.00 0.00 C ATOM 0 H ALA A 76 39.509 -22.164 -8.774 1.00 0.00 H new ATOM 0 HA ALA A 76 37.792 -20.607 -6.950 1.00 0.00 H new ATOM 0 HB1 ALA A 76 39.900 -19.429 -6.410 1.00 0.00 H new ATOM 0 HB2 ALA A 76 40.032 -21.182 -6.127 1.00 0.00 H new ATOM 0 HB3 ALA A 76 40.764 -20.457 -7.578 1.00 0.00 H new ATOM 1138 N GLU A 77 37.933 -18.370 -8.197 1.00 0.00 N ATOM 1139 CA GLU A 77 37.684 -17.227 -9.068 1.00 0.00 C ATOM 1140 C GLU A 77 38.201 -15.938 -8.436 1.00 0.00 C ATOM 1141 O GLU A 77 37.868 -15.616 -7.295 1.00 0.00 O ATOM 1142 CB GLU A 77 36.188 -17.099 -9.364 1.00 0.00 C ATOM 1143 CG GLU A 77 35.323 -17.046 -8.115 1.00 0.00 C ATOM 1144 CD GLU A 77 34.652 -15.699 -7.928 1.00 0.00 C ATOM 1145 OE1 GLU A 77 35.373 -14.690 -7.785 1.00 0.00 O ATOM 1146 OE2 GLU A 77 33.404 -15.655 -7.925 1.00 0.00 O ATOM 0 H GLU A 77 37.709 -18.209 -7.215 1.00 0.00 H new ATOM 0 HA GLU A 77 38.219 -17.392 -10.003 1.00 0.00 H new ATOM 0 HB2 GLU A 77 36.018 -16.197 -9.952 1.00 0.00 H new ATOM 0 HB3 GLU A 77 35.874 -17.943 -9.978 1.00 0.00 H new ATOM 0 HG2 GLU A 77 34.561 -17.823 -8.172 1.00 0.00 H new ATOM 0 HG3 GLU A 77 35.938 -17.266 -7.242 1.00 0.00 H new ATOM 1153 N LYS A 78 39.016 -15.204 -9.185 1.00 0.00 N ATOM 1154 CA LYS A 78 39.580 -13.950 -8.701 1.00 0.00 C ATOM 1155 C LYS A 78 40.410 -14.177 -7.441 1.00 0.00 C ATOM 1156 O LYS A 78 39.999 -13.808 -6.341 1.00 0.00 O ATOM 1157 CB LYS A 78 38.464 -12.942 -8.415 1.00 0.00 C ATOM 1158 CG LYS A 78 37.604 -12.627 -9.626 1.00 0.00 C ATOM 1159 CD LYS A 78 37.663 -11.152 -9.984 1.00 0.00 C ATOM 1160 CE LYS A 78 39.075 -10.725 -10.354 1.00 0.00 C ATOM 1161 NZ LYS A 78 39.090 -9.420 -11.073 1.00 0.00 N ATOM 0 H LYS A 78 39.301 -15.456 -10.131 1.00 0.00 H new ATOM 0 HA LYS A 78 40.232 -13.550 -9.477 1.00 0.00 H new ATOM 0 HB2 LYS A 78 37.828 -13.332 -7.620 1.00 0.00 H new ATOM 0 HB3 LYS A 78 38.907 -12.018 -8.044 1.00 0.00 H new ATOM 0 HG2 LYS A 78 37.939 -13.222 -10.476 1.00 0.00 H new ATOM 0 HG3 LYS A 78 36.572 -12.912 -9.424 1.00 0.00 H new ATOM 0 HD2 LYS A 78 36.991 -10.952 -10.818 1.00 0.00 H new ATOM 0 HD3 LYS A 78 37.311 -10.557 -9.141 1.00 0.00 H new ATOM 0 HE2 LYS A 78 39.680 -10.649 -9.450 1.00 0.00 H new ATOM 0 HE3 LYS A 78 39.533 -11.490 -10.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 40.070 -9.164 -11.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 38.534 -9.499 -11.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 38.676 -8.684 -10.466 1.00 0.00 H new ATOM 1175 N VAL A 79 41.580 -14.784 -7.610 1.00 0.00 N ATOM 1176 CA VAL A 79 42.469 -15.057 -6.487 1.00 0.00 C ATOM 1177 C VAL A 79 43.443 -13.906 -6.265 1.00 0.00 C ATOM 1178 O VAL A 79 43.879 -13.256 -7.214 1.00 0.00 O ATOM 1179 CB VAL A 79 43.267 -16.356 -6.706 1.00 0.00 C ATOM 1180 CG1 VAL A 79 44.067 -16.707 -5.461 1.00 0.00 C ATOM 1181 CG2 VAL A 79 42.335 -17.495 -7.090 1.00 0.00 C ATOM 0 H VAL A 79 41.935 -15.096 -8.514 1.00 0.00 H new ATOM 0 HA VAL A 79 41.839 -15.171 -5.605 1.00 0.00 H new ATOM 0 HB VAL A 79 43.967 -16.198 -7.526 1.00 0.00 H new ATOM 0 HG11 VAL A 79 44.624 -17.628 -5.634 1.00 0.00 H new ATOM 0 HG12 VAL A 79 44.763 -15.899 -5.236 1.00 0.00 H new ATOM 0 HG13 VAL A 79 43.388 -16.847 -4.620 1.00 0.00 H new ATOM 0 HG21 VAL A 79 42.916 -18.405 -7.241 1.00 0.00 H new ATOM 0 HG22 VAL A 79 41.609 -17.656 -6.293 1.00 0.00 H new ATOM 0 HG23 VAL A 79 41.811 -17.242 -8.012 1.00 0.00 H new ATOM 1191 N ASN A 80 43.782 -13.659 -5.003 1.00 0.00 N ATOM 1192 CA ASN A 80 44.705 -12.586 -4.655 1.00 0.00 C ATOM 1193 C ASN A 80 45.424 -12.890 -3.345 1.00 0.00 C ATOM 1194 O ASN A 80 44.880 -13.558 -2.465 1.00 0.00 O ATOM 1195 CB ASN A 80 43.956 -11.257 -4.542 1.00 0.00 C ATOM 1196 CG ASN A 80 43.267 -11.093 -3.201 1.00 0.00 C ATOM 1197 OD1 ASN A 80 42.433 -12.062 -2.843 1.00 0.00 O flip ATOM 1198 ND2 ASN A 80 43.484 -10.108 -2.496 1.00 0.00 N flip ATOM 0 H ASN A 80 43.431 -14.188 -4.205 1.00 0.00 H new ATOM 0 HA ASN A 80 45.449 -12.510 -5.448 1.00 0.00 H new ATOM 0 HB2 ASN A 80 44.656 -10.435 -4.690 1.00 0.00 H new ATOM 0 HB3 ASN A 80 43.215 -11.192 -5.338 1.00 0.00 H new ATOM 0 HD21 ASN A 80 44.133 -9.388 -2.812 1.00 0.00 H new ATOM 0 HD22 ASN A 80 43.014 -10.012 -1.596 1.00 0.00 H new ATOM 1205 N LYS A 81 46.651 -12.395 -3.221 1.00 0.00 N ATOM 1206 CA LYS A 81 47.446 -12.612 -2.017 1.00 0.00 C ATOM 1207 C LYS A 81 46.844 -11.870 -0.828 1.00 0.00 C ATOM 1208 O LYS A 81 46.318 -10.766 -0.972 1.00 0.00 O ATOM 1209 CB LYS A 81 48.887 -12.150 -2.243 1.00 0.00 C ATOM 1210 CG LYS A 81 49.792 -13.234 -2.802 1.00 0.00 C ATOM 1211 CD LYS A 81 50.948 -13.535 -1.863 1.00 0.00 C ATOM 1212 CE LYS A 81 51.872 -12.336 -1.715 1.00 0.00 C ATOM 1213 NZ LYS A 81 52.963 -12.593 -0.735 1.00 0.00 N ATOM 0 H LYS A 81 47.117 -11.841 -3.939 1.00 0.00 H new ATOM 0 HA LYS A 81 47.443 -13.679 -1.797 1.00 0.00 H new ATOM 0 HB2 LYS A 81 48.885 -11.302 -2.927 1.00 0.00 H new ATOM 0 HB3 LYS A 81 49.299 -11.796 -1.298 1.00 0.00 H new ATOM 0 HG2 LYS A 81 49.213 -14.142 -2.970 1.00 0.00 H new ATOM 0 HG3 LYS A 81 50.181 -12.920 -3.771 1.00 0.00 H new ATOM 0 HD2 LYS A 81 50.559 -13.819 -0.885 1.00 0.00 H new ATOM 0 HD3 LYS A 81 51.513 -14.387 -2.241 1.00 0.00 H new ATOM 0 HE2 LYS A 81 52.305 -12.090 -2.684 1.00 0.00 H new ATOM 0 HE3 LYS A 81 51.294 -11.469 -1.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 53.570 -11.752 -0.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 52.551 -12.803 0.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 53.531 -13.404 -1.053 1.00 0.00 H new ATOM 1227 N THR A 82 46.926 -12.484 0.349 1.00 0.00 N ATOM 1228 CA THR A 82 46.391 -11.882 1.564 1.00 0.00 C ATOM 1229 C THR A 82 47.314 -12.126 2.752 1.00 0.00 C ATOM 1230 O THR A 82 46.854 -12.369 3.868 1.00 0.00 O ATOM 1231 CB THR A 82 44.991 -12.434 1.894 1.00 0.00 C ATOM 1232 OG1 THR A 82 44.448 -11.746 3.026 1.00 0.00 O ATOM 1233 CG2 THR A 82 45.051 -13.926 2.181 1.00 0.00 C ATOM 0 H THR A 82 47.358 -13.398 0.486 1.00 0.00 H new ATOM 0 HA THR A 82 46.317 -10.810 1.380 1.00 0.00 H new ATOM 0 HB THR A 82 44.348 -12.273 1.029 1.00 0.00 H new ATOM 0 HG1 THR A 82 45.047 -11.856 3.794 1.00 0.00 H new ATOM 0 HG21 THR A 82 44.051 -14.293 2.411 1.00 0.00 H new ATOM 0 HG22 THR A 82 45.437 -14.450 1.306 1.00 0.00 H new ATOM 0 HG23 THR A 82 45.708 -14.107 3.031 1.00 0.00 H new