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= -0.0281 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN :FLIP amide:sc= 1.05 F(o=-0.38,f=1.1) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc=-0.00482 K(o=-0.0048,f=-1.2) USER MOD Single : A 38 HIS : no HD1:sc= -0.0609 X(o=-0.061,f=-0.0091) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.0204 X(o=-0.02,f=0) USER MOD Single : A 46 TYR OH : rot 52:sc= 1.23 USER MOD Single : A 47 SER OG : rot 180:sc= 0.00816 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -11:sc= 0.616 USER MOD Single : A 78 LYS NZ :NH3+ 158:sc= -0.0263 (180deg=-0.227) USER MOD Single : A 80 ASN : amide:sc= -0.166 K(o=-0.17,f=-2.1) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 231 N ARG A 18 34.347 -15.729 1.838 1.00 0.00 N ATOM 232 CA ARG A 18 35.796 -15.694 1.681 1.00 0.00 C ATOM 233 C ARG A 18 36.442 -16.922 2.317 1.00 0.00 C ATOM 234 O ARG A 18 36.130 -17.282 3.453 1.00 0.00 O ATOM 235 CB ARG A 18 36.369 -14.421 2.307 1.00 0.00 C ATOM 236 CG ARG A 18 36.663 -13.324 1.297 1.00 0.00 C ATOM 237 CD ARG A 18 35.383 -12.723 0.738 1.00 0.00 C ATOM 238 NE ARG A 18 35.630 -11.464 0.040 1.00 0.00 N ATOM 239 CZ ARG A 18 36.081 -11.391 -1.207 1.00 0.00 C ATOM 240 NH1 ARG A 18 36.333 -12.499 -1.890 1.00 0.00 N ATOM 241 NH2 ARG A 18 36.280 -10.208 -1.774 1.00 0.00 N ATOM 0 HA ARG A 18 36.020 -15.698 0.614 1.00 0.00 H new ATOM 0 HB2 ARG A 18 35.665 -14.042 3.048 1.00 0.00 H new ATOM 0 HB3 ARG A 18 37.288 -14.669 2.838 1.00 0.00 H new ATOM 0 HG2 ARG A 18 37.257 -12.542 1.770 1.00 0.00 H new ATOM 0 HG3 ARG A 18 37.262 -13.730 0.482 1.00 0.00 H new ATOM 0 HD2 ARG A 18 34.918 -13.432 0.053 1.00 0.00 H new ATOM 0 HD3 ARG A 18 34.676 -12.555 1.551 1.00 0.00 H new ATOM 0 HE ARG A 18 35.446 -10.593 0.538 1.00 0.00 H new ATOM 0 HH11 ARG A 18 36.181 -13.410 -1.458 1.00 0.00 H new ATOM 0 HH12 ARG A 18 36.679 -12.440 -2.848 1.00 0.00 H new ATOM 0 HH21 ARG A 18 36.087 -9.353 -1.252 1.00 0.00 H new ATOM 0 HH22 ARG A 18 36.626 -10.153 -2.732 1.00 0.00 H new ATOM 255 N LEU A 19 37.343 -17.560 1.578 1.00 0.00 N ATOM 256 CA LEU A 19 38.032 -18.748 2.070 1.00 0.00 C ATOM 257 C LEU A 19 39.541 -18.613 1.893 1.00 0.00 C ATOM 258 O LEU A 19 40.012 -17.946 0.971 1.00 0.00 O ATOM 259 CB LEU A 19 37.530 -19.993 1.336 1.00 0.00 C ATOM 260 CG LEU A 19 36.025 -20.251 1.406 1.00 0.00 C ATOM 261 CD1 LEU A 19 35.525 -20.845 0.098 1.00 0.00 C ATOM 262 CD2 LEU A 19 35.695 -21.171 2.572 1.00 0.00 C ATOM 0 H LEU A 19 37.613 -17.275 0.637 1.00 0.00 H new ATOM 0 HA LEU A 19 37.817 -18.850 3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 19 37.816 -19.912 0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 19 38.047 -20.863 1.742 1.00 0.00 H new ATOM 0 HG LEU A 19 35.519 -19.299 1.567 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.452 -21.022 0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.727 -20.151 -0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 19 36.037 -21.788 -0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.619 -21.344 2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 19 36.211 -22.122 2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 19 36.018 -20.707 3.504 1.00 0.00 H new ATOM 274 N LEU A 20 40.295 -19.252 2.781 1.00 0.00 N ATOM 275 CA LEU A 20 41.752 -19.207 2.722 1.00 0.00 C ATOM 276 C LEU A 20 42.317 -20.519 2.189 1.00 0.00 C ATOM 277 O LEU A 20 41.583 -21.484 1.982 1.00 0.00 O ATOM 278 CB LEU A 20 42.329 -18.916 4.109 1.00 0.00 C ATOM 279 CG LEU A 20 42.683 -17.456 4.396 1.00 0.00 C ATOM 280 CD1 LEU A 20 43.093 -17.282 5.850 1.00 0.00 C ATOM 281 CD2 LEU A 20 43.793 -16.985 3.467 1.00 0.00 C ATOM 0 H LEU A 20 39.921 -19.808 3.551 1.00 0.00 H new ATOM 0 HA LEU A 20 42.039 -18.406 2.040 1.00 0.00 H new ATOM 0 HB2 LEU A 20 41.609 -19.248 4.857 1.00 0.00 H new ATOM 0 HB3 LEU A 20 43.227 -19.519 4.241 1.00 0.00 H new ATOM 0 HG LEU A 20 41.799 -16.845 4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 20 43.341 -16.237 6.035 1.00 0.00 H new ATOM 0 HD12 LEU A 20 42.269 -17.580 6.499 1.00 0.00 H new ATOM 0 HD13 LEU A 20 43.963 -17.904 6.060 1.00 0.00 H new ATOM 0 HD21 LEU A 20 44.033 -15.944 3.685 1.00 0.00 H new ATOM 0 HD22 LEU A 20 44.680 -17.601 3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 20 43.463 -17.072 2.432 1.00 0.00 H new ATOM 293 N GLY A 21 43.628 -20.548 1.970 1.00 0.00 N ATOM 294 CA GLY A 21 44.270 -21.747 1.465 1.00 0.00 C ATOM 295 C GLY A 21 45.781 -21.627 1.434 1.00 0.00 C ATOM 296 O GLY A 21 46.337 -20.599 1.820 1.00 0.00 O ATOM 0 H GLY A 21 44.257 -19.762 2.134 1.00 0.00 H new ATOM 0 HA2 GLY A 21 43.989 -22.596 2.088 1.00 0.00 H new ATOM 0 HA3 GLY A 21 43.904 -21.955 0.459 1.00 0.00 H new ATOM 300 N TYR A 22 46.447 -22.681 0.974 1.00 0.00 N ATOM 301 CA TYR A 22 47.903 -22.690 0.898 1.00 0.00 C ATOM 302 C TYR A 22 48.374 -23.211 -0.456 1.00 0.00 C ATOM 303 O TYR A 22 47.922 -24.257 -0.924 1.00 0.00 O ATOM 304 CB TYR A 22 48.487 -23.551 2.019 1.00 0.00 C ATOM 305 CG TYR A 22 48.104 -23.083 3.405 1.00 0.00 C ATOM 306 CD1 TYR A 22 48.573 -21.874 3.906 1.00 0.00 C ATOM 307 CD2 TYR A 22 47.272 -23.848 4.213 1.00 0.00 C ATOM 308 CE1 TYR A 22 48.226 -21.443 5.171 1.00 0.00 C ATOM 309 CE2 TYR A 22 46.918 -23.424 5.479 1.00 0.00 C ATOM 310 CZ TYR A 22 47.398 -22.221 5.954 1.00 0.00 C ATOM 311 OH TYR A 22 47.049 -21.794 7.215 1.00 0.00 O ATOM 0 H TYR A 22 46.002 -23.539 0.649 1.00 0.00 H new ATOM 0 HA TYR A 22 48.254 -21.665 1.015 1.00 0.00 H new ATOM 0 HB2 TYR A 22 48.153 -24.580 1.887 1.00 0.00 H new ATOM 0 HB3 TYR A 22 49.574 -23.555 1.934 1.00 0.00 H new ATOM 0 HD1 TYR A 22 49.220 -21.261 3.295 1.00 0.00 H new ATOM 0 HD2 TYR A 22 46.895 -24.791 3.845 1.00 0.00 H new ATOM 0 HE1 TYR A 22 48.601 -20.502 5.546 1.00 0.00 H new ATOM 0 HE2 TYR A 22 46.269 -24.031 6.093 1.00 0.00 H new ATOM 0 HH TYR A 22 46.460 -22.456 7.633 1.00 0.00 H new ATOM 321 N VAL A 23 49.286 -22.474 -1.082 1.00 0.00 N ATOM 322 CA VAL A 23 49.822 -22.861 -2.382 1.00 0.00 C ATOM 323 C VAL A 23 50.380 -24.279 -2.346 1.00 0.00 C ATOM 324 O VAL A 23 51.433 -24.527 -1.760 1.00 0.00 O ATOM 325 CB VAL A 23 50.930 -21.895 -2.842 1.00 0.00 C ATOM 326 CG1 VAL A 23 51.496 -22.333 -4.185 1.00 0.00 C ATOM 327 CG2 VAL A 23 50.399 -20.472 -2.916 1.00 0.00 C ATOM 0 H VAL A 23 49.669 -21.605 -0.710 1.00 0.00 H new ATOM 0 HA VAL A 23 48.996 -22.818 -3.091 1.00 0.00 H new ATOM 0 HB VAL A 23 51.737 -21.919 -2.109 1.00 0.00 H new ATOM 0 HG11 VAL A 23 52.277 -21.639 -4.494 1.00 0.00 H new ATOM 0 HG12 VAL A 23 51.916 -23.335 -4.094 1.00 0.00 H new ATOM 0 HG13 VAL A 23 50.701 -22.339 -4.930 1.00 0.00 H new ATOM 0 HG21 VAL A 23 51.195 -19.803 -3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 23 49.574 -20.428 -3.627 1.00 0.00 H new ATOM 0 HG23 VAL A 23 50.047 -20.163 -1.932 1.00 0.00 H new ATOM 337 N ALA A 24 49.667 -25.206 -2.978 1.00 0.00 N ATOM 338 CA ALA A 24 50.093 -26.599 -3.021 1.00 0.00 C ATOM 339 C ALA A 24 51.154 -26.816 -4.095 1.00 0.00 C ATOM 340 O ALA A 24 52.129 -27.539 -3.884 1.00 0.00 O ATOM 341 CB ALA A 24 48.898 -27.509 -3.266 1.00 0.00 C ATOM 0 H ALA A 24 48.792 -25.017 -3.467 1.00 0.00 H new ATOM 0 HA ALA A 24 50.534 -26.848 -2.056 1.00 0.00 H new ATOM 0 HB1 ALA A 24 49.231 -28.547 -3.296 1.00 0.00 H new ATOM 0 HB2 ALA A 24 48.174 -27.383 -2.461 1.00 0.00 H new ATOM 0 HB3 ALA A 24 48.432 -27.250 -4.217 1.00 0.00 H new ATOM 347 N THR A 25 50.959 -26.185 -5.249 1.00 0.00 N ATOM 348 CA THR A 25 51.898 -26.311 -6.357 1.00 0.00 C ATOM 349 C THR A 25 51.864 -25.076 -7.249 1.00 0.00 C ATOM 350 O THR A 25 50.808 -24.476 -7.457 1.00 0.00 O ATOM 351 CB THR A 25 51.595 -27.556 -7.211 1.00 0.00 C ATOM 352 OG1 THR A 25 51.678 -28.736 -6.405 1.00 0.00 O ATOM 353 CG2 THR A 25 52.568 -27.663 -8.376 1.00 0.00 C ATOM 0 H THR A 25 50.159 -25.582 -5.440 1.00 0.00 H new ATOM 0 HA THR A 25 52.891 -26.413 -5.920 1.00 0.00 H new ATOM 0 HB THR A 25 50.585 -27.459 -7.609 1.00 0.00 H new ATOM 0 HG1 THR A 25 51.482 -29.523 -6.956 1.00 0.00 H new ATOM 0 HG21 THR A 25 52.334 -28.550 -8.965 1.00 0.00 H new ATOM 0 HG22 THR A 25 52.482 -26.777 -9.005 1.00 0.00 H new ATOM 0 HG23 THR A 25 53.586 -27.739 -7.994 1.00 0.00 H new ATOM 361 N LEU A 26 53.024 -24.700 -7.775 1.00 0.00 N ATOM 362 CA LEU A 26 53.127 -23.535 -8.648 1.00 0.00 C ATOM 363 C LEU A 26 53.764 -23.908 -9.982 1.00 0.00 C ATOM 364 O LEU A 26 54.985 -24.023 -10.090 1.00 0.00 O ATOM 365 CB LEU A 26 53.946 -22.435 -7.969 1.00 0.00 C ATOM 366 CG LEU A 26 53.151 -21.255 -7.410 1.00 0.00 C ATOM 367 CD1 LEU A 26 54.054 -20.343 -6.593 1.00 0.00 C ATOM 368 CD2 LEU A 26 52.485 -20.479 -8.536 1.00 0.00 C ATOM 0 H LEU A 26 53.907 -25.184 -7.613 1.00 0.00 H new ATOM 0 HA LEU A 26 52.120 -23.165 -8.839 1.00 0.00 H new ATOM 0 HB2 LEU A 26 54.514 -22.883 -7.154 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.669 -22.052 -8.689 1.00 0.00 H new ATOM 0 HG LEU A 26 52.372 -21.644 -6.754 1.00 0.00 H new ATOM 0 HD11 LEU A 26 53.471 -19.509 -6.203 1.00 0.00 H new ATOM 0 HD12 LEU A 26 54.484 -20.905 -5.764 1.00 0.00 H new ATOM 0 HD13 LEU A 26 54.855 -19.962 -7.226 1.00 0.00 H new ATOM 0 HD21 LEU A 26 51.924 -19.643 -8.119 1.00 0.00 H new ATOM 0 HD22 LEU A 26 53.247 -20.101 -9.217 1.00 0.00 H new ATOM 0 HD23 LEU A 26 51.806 -21.137 -9.079 1.00 0.00 H new ATOM 380 N LYS A 27 52.929 -24.094 -10.999 1.00 0.00 N ATOM 381 CA LYS A 27 53.409 -24.451 -12.329 1.00 0.00 C ATOM 382 C LYS A 27 53.667 -23.203 -13.167 1.00 0.00 C ATOM 383 O LYS A 27 53.576 -22.081 -12.670 1.00 0.00 O ATOM 384 CB LYS A 27 52.393 -25.352 -13.035 1.00 0.00 C ATOM 385 CG LYS A 27 52.047 -26.608 -12.254 1.00 0.00 C ATOM 386 CD LYS A 27 53.238 -27.547 -12.153 1.00 0.00 C ATOM 387 CE LYS A 27 52.795 -28.989 -11.955 1.00 0.00 C ATOM 388 NZ LYS A 27 53.953 -29.925 -11.921 1.00 0.00 N ATOM 0 H LYS A 27 51.916 -24.003 -10.927 1.00 0.00 H new ATOM 0 HA LYS A 27 54.349 -24.992 -12.216 1.00 0.00 H new ATOM 0 HB2 LYS A 27 51.480 -24.784 -13.216 1.00 0.00 H new ATOM 0 HB3 LYS A 27 52.789 -25.638 -14.009 1.00 0.00 H new ATOM 0 HG2 LYS A 27 51.712 -26.335 -11.253 1.00 0.00 H new ATOM 0 HG3 LYS A 27 51.217 -27.122 -12.739 1.00 0.00 H new ATOM 0 HD2 LYS A 27 53.840 -27.471 -13.058 1.00 0.00 H new ATOM 0 HD3 LYS A 27 53.873 -27.243 -11.321 1.00 0.00 H new ATOM 0 HE2 LYS A 27 52.233 -29.072 -11.024 1.00 0.00 H new ATOM 0 HE3 LYS A 27 52.120 -29.276 -12.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 53.610 -30.897 -11.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 54.475 -29.865 -12.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 54.585 -29.668 -11.136 1.00 0.00 H new ATOM 402 N ASP A 28 53.987 -23.407 -14.440 1.00 0.00 N ATOM 403 CA ASP A 28 54.256 -22.298 -15.348 1.00 0.00 C ATOM 404 C ASP A 28 53.027 -21.977 -16.192 1.00 0.00 C ATOM 405 O ASP A 28 53.129 -21.765 -17.400 1.00 0.00 O ATOM 406 CB ASP A 28 55.441 -22.630 -16.256 1.00 0.00 C ATOM 407 CG ASP A 28 56.758 -22.649 -15.504 1.00 0.00 C ATOM 408 OD1 ASP A 28 57.050 -23.668 -14.844 1.00 0.00 O ATOM 409 OD2 ASP A 28 57.497 -21.645 -15.578 1.00 0.00 O ATOM 0 H ASP A 28 54.066 -24.330 -14.867 1.00 0.00 H new ATOM 0 HA ASP A 28 54.502 -21.421 -14.749 1.00 0.00 H new ATOM 0 HB2 ASP A 28 55.277 -23.602 -16.721 1.00 0.00 H new ATOM 0 HB3 ASP A 28 55.496 -21.896 -17.060 1.00 0.00 H new ATOM 414 N ASN A 29 51.864 -21.945 -15.549 1.00 0.00 N ATOM 415 CA ASN A 29 50.615 -21.652 -16.241 1.00 0.00 C ATOM 416 C ASN A 29 49.461 -21.527 -15.251 1.00 0.00 C ATOM 417 O ASN A 29 48.626 -20.629 -15.364 1.00 0.00 O ATOM 418 CB ASN A 29 50.306 -22.746 -17.265 1.00 0.00 C ATOM 419 CG ASN A 29 50.280 -22.217 -18.686 1.00 0.00 C ATOM 420 OD1 ASN A 29 49.083 -22.090 -19.248 1.00 0.00 O flip ATOM 421 ND2 ASN A 29 51.323 -21.926 -19.272 1.00 0.00 N flip ATOM 0 H ASN A 29 51.761 -22.119 -14.549 1.00 0.00 H new ATOM 0 HA ASN A 29 50.731 -20.700 -16.759 1.00 0.00 H new ATOM 0 HB2 ASN A 29 51.055 -23.534 -17.187 1.00 0.00 H new ATOM 0 HB3 ASN A 29 49.342 -23.198 -17.031 1.00 0.00 H new ATOM 0 HD21 ASN A 29 52.221 -22.039 -18.802 1.00 0.00 H new ATOM 0 HD22 ASN A 29 51.289 -21.571 -20.228 1.00 0.00 H new ATOM 428 N PHE A 30 49.420 -22.434 -14.280 1.00 0.00 N ATOM 429 CA PHE A 30 48.368 -22.426 -13.270 1.00 0.00 C ATOM 430 C PHE A 30 48.914 -22.863 -11.914 1.00 0.00 C ATOM 431 O PHE A 30 50.042 -23.343 -11.812 1.00 0.00 O ATOM 432 CB PHE A 30 47.220 -23.345 -13.691 1.00 0.00 C ATOM 433 CG PHE A 30 47.671 -24.720 -14.095 1.00 0.00 C ATOM 434 CD1 PHE A 30 48.101 -25.630 -13.143 1.00 0.00 C ATOM 435 CD2 PHE A 30 47.665 -25.102 -15.427 1.00 0.00 C ATOM 436 CE1 PHE A 30 48.516 -26.896 -13.511 1.00 0.00 C ATOM 437 CE2 PHE A 30 48.078 -26.367 -15.801 1.00 0.00 C ATOM 438 CZ PHE A 30 48.505 -27.264 -14.842 1.00 0.00 C ATOM 0 H PHE A 30 50.103 -23.184 -14.171 1.00 0.00 H new ATOM 0 HA PHE A 30 47.993 -21.407 -13.180 1.00 0.00 H new ATOM 0 HB2 PHE A 30 46.513 -23.431 -12.866 1.00 0.00 H new ATOM 0 HB3 PHE A 30 46.685 -22.887 -14.523 1.00 0.00 H new ATOM 0 HD1 PHE A 30 48.112 -25.347 -12.101 1.00 0.00 H new ATOM 0 HD2 PHE A 30 47.334 -24.404 -16.181 1.00 0.00 H new ATOM 0 HE1 PHE A 30 48.848 -27.596 -12.759 1.00 0.00 H new ATOM 0 HE2 PHE A 30 48.067 -26.653 -16.842 1.00 0.00 H new ATOM 0 HZ PHE A 30 48.830 -28.252 -15.132 1.00 0.00 H new ATOM 448 N GLY A 31 48.104 -22.691 -10.873 1.00 0.00 N ATOM 449 CA GLY A 31 48.522 -23.071 -9.537 1.00 0.00 C ATOM 450 C GLY A 31 47.447 -23.834 -8.788 1.00 0.00 C ATOM 451 O GLY A 31 46.271 -23.781 -9.150 1.00 0.00 O ATOM 0 H GLY A 31 47.166 -22.295 -10.932 1.00 0.00 H new ATOM 0 HA2 GLY A 31 49.421 -23.685 -9.602 1.00 0.00 H new ATOM 0 HA3 GLY A 31 48.787 -22.176 -8.974 1.00 0.00 H new ATOM 455 N PHE A 32 47.850 -24.547 -7.742 1.00 0.00 N ATOM 456 CA PHE A 32 46.912 -25.327 -6.942 1.00 0.00 C ATOM 457 C PHE A 32 46.877 -24.823 -5.502 1.00 0.00 C ATOM 458 O PHE A 32 47.877 -24.327 -4.982 1.00 0.00 O ATOM 459 CB PHE A 32 47.296 -26.808 -6.967 1.00 0.00 C ATOM 460 CG PHE A 32 46.898 -27.509 -8.234 1.00 0.00 C ATOM 461 CD1 PHE A 32 45.562 -27.681 -8.556 1.00 0.00 C ATOM 462 CD2 PHE A 32 47.861 -27.996 -9.103 1.00 0.00 C ATOM 463 CE1 PHE A 32 45.192 -28.325 -9.722 1.00 0.00 C ATOM 464 CE2 PHE A 32 47.497 -28.641 -10.270 1.00 0.00 C ATOM 465 CZ PHE A 32 46.161 -28.806 -10.579 1.00 0.00 C ATOM 0 H PHE A 32 48.819 -24.601 -7.428 1.00 0.00 H new ATOM 0 HA PHE A 32 45.918 -25.210 -7.374 1.00 0.00 H new ATOM 0 HB2 PHE A 32 48.374 -26.898 -6.835 1.00 0.00 H new ATOM 0 HB3 PHE A 32 46.828 -27.311 -6.121 1.00 0.00 H new ATOM 0 HD1 PHE A 32 44.800 -27.307 -7.888 1.00 0.00 H new ATOM 0 HD2 PHE A 32 48.907 -27.870 -8.866 1.00 0.00 H new ATOM 0 HE1 PHE A 32 44.147 -28.451 -9.962 1.00 0.00 H new ATOM 0 HE2 PHE A 32 48.257 -29.016 -10.940 1.00 0.00 H new ATOM 0 HZ PHE A 32 45.875 -29.311 -11.490 1.00 0.00 H new ATOM 475 N ILE A 33 45.719 -24.955 -4.863 1.00 0.00 N ATOM 476 CA ILE A 33 45.553 -24.514 -3.484 1.00 0.00 C ATOM 477 C ILE A 33 45.011 -25.639 -2.609 1.00 0.00 C ATOM 478 O ILE A 33 43.977 -26.233 -2.914 1.00 0.00 O ATOM 479 CB ILE A 33 44.605 -23.304 -3.390 1.00 0.00 C ATOM 480 CG1 ILE A 33 45.089 -22.178 -4.305 1.00 0.00 C ATOM 481 CG2 ILE A 33 44.507 -22.819 -1.951 1.00 0.00 C ATOM 482 CD1 ILE A 33 44.110 -21.031 -4.422 1.00 0.00 C ATOM 0 H ILE A 33 44.882 -25.364 -5.279 1.00 0.00 H new ATOM 0 HA ILE A 33 46.540 -24.221 -3.126 1.00 0.00 H new ATOM 0 HB ILE A 33 43.612 -23.612 -3.718 1.00 0.00 H new ATOM 0 HG12 ILE A 33 46.038 -21.798 -3.928 1.00 0.00 H new ATOM 0 HG13 ILE A 33 45.280 -22.585 -5.298 1.00 0.00 H new ATOM 0 HG21 ILE A 33 43.834 -21.963 -1.900 1.00 0.00 H new ATOM 0 HG22 ILE A 33 44.122 -23.622 -1.322 1.00 0.00 H new ATOM 0 HG23 ILE A 33 45.495 -22.524 -1.598 1.00 0.00 H new ATOM 0 HD11 ILE A 33 44.519 -20.270 -5.086 1.00 0.00 H new ATOM 0 HD12 ILE A 33 43.167 -21.397 -4.828 1.00 0.00 H new ATOM 0 HD13 ILE A 33 43.937 -20.598 -3.437 1.00 0.00 H new ATOM 494 N GLU A 34 45.716 -25.926 -1.519 1.00 0.00 N ATOM 495 CA GLU A 34 45.304 -26.979 -0.599 1.00 0.00 C ATOM 496 C GLU A 34 44.408 -26.420 0.503 1.00 0.00 C ATOM 497 O GLU A 34 44.727 -25.405 1.124 1.00 0.00 O ATOM 498 CB GLU A 34 46.529 -27.655 0.020 1.00 0.00 C ATOM 499 CG GLU A 34 46.620 -29.142 -0.279 1.00 0.00 C ATOM 500 CD GLU A 34 47.994 -29.713 0.012 1.00 0.00 C ATOM 501 OE1 GLU A 34 48.323 -29.889 1.204 1.00 0.00 O ATOM 502 OE2 GLU A 34 48.741 -29.983 -0.951 1.00 0.00 O ATOM 0 H GLU A 34 46.574 -25.444 -1.252 1.00 0.00 H new ATOM 0 HA GLU A 34 44.737 -27.718 -1.165 1.00 0.00 H new ATOM 0 HB2 GLU A 34 47.430 -27.163 -0.348 1.00 0.00 H new ATOM 0 HB3 GLU A 34 46.506 -27.511 1.100 1.00 0.00 H new ATOM 0 HG2 GLU A 34 45.877 -29.674 0.314 1.00 0.00 H new ATOM 0 HG3 GLU A 34 46.374 -29.314 -1.327 1.00 0.00 H new ATOM 509 N THR A 35 43.284 -27.089 0.740 1.00 0.00 N ATOM 510 CA THR A 35 42.340 -26.660 1.765 1.00 0.00 C ATOM 511 C THR A 35 42.831 -27.038 3.158 1.00 0.00 C ATOM 512 O THR A 35 43.638 -27.954 3.314 1.00 0.00 O ATOM 513 CB THR A 35 40.947 -27.276 1.539 1.00 0.00 C ATOM 514 OG1 THR A 35 41.021 -28.703 1.634 1.00 0.00 O ATOM 515 CG2 THR A 35 40.395 -26.881 0.178 1.00 0.00 C ATOM 0 H THR A 35 43.005 -27.931 0.236 1.00 0.00 H new ATOM 0 HA THR A 35 42.265 -25.575 1.691 1.00 0.00 H new ATOM 0 HB THR A 35 40.276 -26.896 2.309 1.00 0.00 H new ATOM 0 HG1 THR A 35 40.131 -29.087 1.491 1.00 0.00 H new ATOM 0 HG21 THR A 35 39.410 -27.328 0.041 1.00 0.00 H new ATOM 0 HG22 THR A 35 40.312 -25.796 0.120 1.00 0.00 H new ATOM 0 HG23 THR A 35 41.066 -27.236 -0.604 1.00 0.00 H new ATOM 523 N ALA A 36 42.339 -26.327 4.167 1.00 0.00 N ATOM 524 CA ALA A 36 42.725 -26.590 5.547 1.00 0.00 C ATOM 525 C ALA A 36 42.452 -28.042 5.926 1.00 0.00 C ATOM 526 O ALA A 36 43.102 -28.594 6.812 1.00 0.00 O ATOM 527 CB ALA A 36 41.990 -25.649 6.490 1.00 0.00 C ATOM 0 H ALA A 36 41.672 -25.564 4.054 1.00 0.00 H new ATOM 0 HA ALA A 36 43.797 -26.413 5.638 1.00 0.00 H new ATOM 0 HB1 ALA A 36 42.288 -25.857 7.517 1.00 0.00 H new ATOM 0 HB2 ALA A 36 42.239 -24.617 6.242 1.00 0.00 H new ATOM 0 HB3 ALA A 36 40.915 -25.797 6.387 1.00 0.00 H new ATOM 533 N ASN A 37 41.485 -28.653 5.250 1.00 0.00 N ATOM 534 CA ASN A 37 41.125 -30.041 5.517 1.00 0.00 C ATOM 535 C ASN A 37 42.043 -30.997 4.761 1.00 0.00 C ATOM 536 O ASN A 37 42.219 -32.150 5.157 1.00 0.00 O ATOM 537 CB ASN A 37 39.669 -30.297 5.124 1.00 0.00 C ATOM 538 CG ASN A 37 39.087 -31.512 5.820 1.00 0.00 C ATOM 539 OD1 ASN A 37 39.788 -32.224 6.539 1.00 0.00 O ATOM 540 ND2 ASN A 37 37.798 -31.754 5.608 1.00 0.00 N ATOM 0 H ASN A 37 40.937 -28.209 4.513 1.00 0.00 H new ATOM 0 HA ASN A 37 41.243 -30.221 6.586 1.00 0.00 H new ATOM 0 HB2 ASN A 37 39.070 -29.420 5.369 1.00 0.00 H new ATOM 0 HB3 ASN A 37 39.606 -30.435 4.045 1.00 0.00 H new ATOM 0 HD21 ASN A 37 37.351 -32.557 6.049 1.00 0.00 H new ATOM 0 HD22 ASN A 37 37.256 -31.136 5.004 1.00 0.00 H new ATOM 547 N HIS A 38 42.627 -30.509 3.671 1.00 0.00 N ATOM 548 CA HIS A 38 43.529 -31.319 2.860 1.00 0.00 C ATOM 549 C HIS A 38 42.794 -32.515 2.260 1.00 0.00 C ATOM 550 O HIS A 38 42.785 -33.603 2.837 1.00 0.00 O ATOM 551 CB HIS A 38 44.711 -31.802 3.700 1.00 0.00 C ATOM 552 CG HIS A 38 45.384 -30.708 4.471 1.00 0.00 C ATOM 553 ND1 HIS A 38 45.411 -30.665 5.849 1.00 0.00 N ATOM 554 CD2 HIS A 38 46.059 -29.613 4.048 1.00 0.00 C ATOM 555 CE1 HIS A 38 46.072 -29.590 6.241 1.00 0.00 C ATOM 556 NE2 HIS A 38 46.476 -28.935 5.167 1.00 0.00 N ATOM 0 H HIS A 38 42.492 -29.557 3.329 1.00 0.00 H new ATOM 0 HA HIS A 38 43.902 -30.697 2.046 1.00 0.00 H new ATOM 0 HB2 HIS A 38 44.364 -32.565 4.396 1.00 0.00 H new ATOM 0 HB3 HIS A 38 45.442 -32.277 3.045 1.00 0.00 H new ATOM 0 HD2 HIS A 38 46.236 -29.326 3.022 1.00 0.00 H new ATOM 0 HE1 HIS A 38 46.251 -29.297 7.265 1.00 0.00 H new ATOM 0 HE2 HIS A 38 47.011 -28.067 5.169 1.00 0.00 H new ATOM 564 N ASP A 39 42.179 -32.305 1.102 1.00 0.00 N ATOM 565 CA ASP A 39 41.442 -33.365 0.424 1.00 0.00 C ATOM 566 C ASP A 39 41.260 -33.041 -1.055 1.00 0.00 C ATOM 567 O ASP A 39 41.386 -33.914 -1.914 1.00 0.00 O ATOM 568 CB ASP A 39 40.078 -33.570 1.086 1.00 0.00 C ATOM 569 CG ASP A 39 39.663 -35.028 1.117 1.00 0.00 C ATOM 570 OD1 ASP A 39 40.339 -35.823 1.803 1.00 0.00 O ATOM 571 OD2 ASP A 39 38.662 -35.374 0.455 1.00 0.00 O ATOM 0 H ASP A 39 42.176 -31.410 0.613 1.00 0.00 H new ATOM 0 HA ASP A 39 42.020 -34.286 0.507 1.00 0.00 H new ATOM 0 HB2 ASP A 39 40.110 -33.183 2.104 1.00 0.00 H new ATOM 0 HB3 ASP A 39 39.326 -32.992 0.548 1.00 0.00 H new ATOM 576 N LYS A 40 40.961 -31.779 -1.346 1.00 0.00 N ATOM 577 CA LYS A 40 40.761 -31.338 -2.722 1.00 0.00 C ATOM 578 C LYS A 40 41.556 -30.067 -3.006 1.00 0.00 C ATOM 579 O LYS A 40 41.610 -29.160 -2.177 1.00 0.00 O ATOM 580 CB LYS A 40 39.275 -31.093 -2.989 1.00 0.00 C ATOM 581 CG LYS A 40 38.969 -30.728 -4.432 1.00 0.00 C ATOM 582 CD LYS A 40 37.659 -29.967 -4.549 1.00 0.00 C ATOM 583 CE LYS A 40 36.570 -30.825 -5.174 1.00 0.00 C ATOM 584 NZ LYS A 40 35.933 -31.728 -4.176 1.00 0.00 N ATOM 0 H LYS A 40 40.852 -31.044 -0.648 1.00 0.00 H new ATOM 0 HA LYS A 40 41.118 -32.125 -3.386 1.00 0.00 H new ATOM 0 HB2 LYS A 40 38.714 -31.989 -2.723 1.00 0.00 H new ATOM 0 HB3 LYS A 40 38.925 -30.292 -2.338 1.00 0.00 H new ATOM 0 HG2 LYS A 40 39.780 -30.122 -4.835 1.00 0.00 H new ATOM 0 HG3 LYS A 40 38.919 -31.635 -5.035 1.00 0.00 H new ATOM 0 HD2 LYS A 40 37.340 -29.635 -3.561 1.00 0.00 H new ATOM 0 HD3 LYS A 40 37.810 -29.072 -5.152 1.00 0.00 H new ATOM 0 HE2 LYS A 40 35.811 -30.181 -5.618 1.00 0.00 H new ATOM 0 HE3 LYS A 40 36.996 -31.420 -5.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 35.196 -32.296 -4.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 36.653 -32.360 -3.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 35.504 -31.160 -3.418 1.00 0.00 H new ATOM 598 N GLU A 41 42.170 -30.010 -4.184 1.00 0.00 N ATOM 599 CA GLU A 41 42.961 -28.850 -4.576 1.00 0.00 C ATOM 600 C GLU A 41 42.164 -27.936 -5.502 1.00 0.00 C ATOM 601 O GLU A 41 41.450 -28.404 -6.390 1.00 0.00 O ATOM 602 CB GLU A 41 44.252 -29.295 -5.268 1.00 0.00 C ATOM 603 CG GLU A 41 44.023 -30.260 -6.419 1.00 0.00 C ATOM 604 CD GLU A 41 44.471 -31.672 -6.093 1.00 0.00 C ATOM 605 OE1 GLU A 41 45.695 -31.917 -6.071 1.00 0.00 O ATOM 606 OE2 GLU A 41 43.596 -32.532 -5.861 1.00 0.00 O ATOM 0 H GLU A 41 42.135 -30.753 -4.882 1.00 0.00 H new ATOM 0 HA GLU A 41 43.214 -28.293 -3.674 1.00 0.00 H new ATOM 0 HB2 GLU A 41 44.776 -28.415 -5.641 1.00 0.00 H new ATOM 0 HB3 GLU A 41 44.904 -29.767 -4.533 1.00 0.00 H new ATOM 0 HG2 GLU A 41 42.964 -30.269 -6.676 1.00 0.00 H new ATOM 0 HG3 GLU A 41 44.561 -29.906 -7.298 1.00 0.00 H new ATOM 613 N ILE A 42 42.291 -26.630 -5.288 1.00 0.00 N ATOM 614 CA ILE A 42 41.583 -25.651 -6.103 1.00 0.00 C ATOM 615 C ILE A 42 42.353 -25.341 -7.382 1.00 0.00 C ATOM 616 O ILE A 42 43.584 -25.360 -7.399 1.00 0.00 O ATOM 617 CB ILE A 42 41.346 -24.340 -5.329 1.00 0.00 C ATOM 618 CG1 ILE A 42 40.754 -24.637 -3.950 1.00 0.00 C ATOM 619 CG2 ILE A 42 40.429 -23.418 -6.118 1.00 0.00 C ATOM 620 CD1 ILE A 42 39.390 -25.288 -4.005 1.00 0.00 C ATOM 0 H ILE A 42 42.877 -26.226 -4.558 1.00 0.00 H new ATOM 0 HA ILE A 42 40.619 -26.091 -6.359 1.00 0.00 H new ATOM 0 HB ILE A 42 42.303 -23.837 -5.192 1.00 0.00 H new ATOM 0 HG12 ILE A 42 41.436 -25.288 -3.403 1.00 0.00 H new ATOM 0 HG13 ILE A 42 40.681 -23.707 -3.387 1.00 0.00 H new ATOM 0 HG21 ILE A 42 40.271 -22.496 -5.558 1.00 0.00 H new ATOM 0 HG22 ILE A 42 40.887 -23.185 -7.079 1.00 0.00 H new ATOM 0 HG23 ILE A 42 39.471 -23.911 -6.283 1.00 0.00 H new ATOM 0 HD11 ILE A 42 39.032 -25.469 -2.991 1.00 0.00 H new ATOM 0 HD12 ILE A 42 38.693 -24.629 -4.523 1.00 0.00 H new ATOM 0 HD13 ILE A 42 39.460 -26.235 -4.540 1.00 0.00 H new ATOM 632 N PHE A 43 41.619 -25.053 -8.453 1.00 0.00 N ATOM 633 CA PHE A 43 42.233 -24.738 -9.738 1.00 0.00 C ATOM 634 C PHE A 43 41.996 -23.277 -10.109 1.00 0.00 C ATOM 635 O PHE A 43 40.856 -22.848 -10.289 1.00 0.00 O ATOM 636 CB PHE A 43 41.675 -25.651 -10.831 1.00 0.00 C ATOM 637 CG PHE A 43 42.201 -25.336 -12.202 1.00 0.00 C ATOM 638 CD1 PHE A 43 43.376 -25.912 -12.658 1.00 0.00 C ATOM 639 CD2 PHE A 43 41.522 -24.461 -13.035 1.00 0.00 C ATOM 640 CE1 PHE A 43 43.863 -25.624 -13.919 1.00 0.00 C ATOM 641 CE2 PHE A 43 42.003 -24.170 -14.297 1.00 0.00 C ATOM 642 CZ PHE A 43 43.176 -24.751 -14.739 1.00 0.00 C ATOM 0 H PHE A 43 40.599 -25.031 -8.456 1.00 0.00 H new ATOM 0 HA PHE A 43 43.307 -24.903 -9.650 1.00 0.00 H new ATOM 0 HB2 PHE A 43 41.916 -26.686 -10.587 1.00 0.00 H new ATOM 0 HB3 PHE A 43 40.588 -25.571 -10.840 1.00 0.00 H new ATOM 0 HD1 PHE A 43 43.918 -26.594 -12.020 1.00 0.00 H new ATOM 0 HD2 PHE A 43 40.606 -24.001 -12.694 1.00 0.00 H new ATOM 0 HE1 PHE A 43 44.779 -26.081 -14.262 1.00 0.00 H new ATOM 0 HE2 PHE A 43 41.462 -23.489 -14.938 1.00 0.00 H new ATOM 0 HZ PHE A 43 43.555 -24.523 -15.724 1.00 0.00 H new ATOM 652 N PHE A 44 43.081 -22.518 -10.222 1.00 0.00 N ATOM 653 CA PHE A 44 42.992 -21.105 -10.571 1.00 0.00 C ATOM 654 C PHE A 44 44.022 -20.742 -11.637 1.00 0.00 C ATOM 655 O PHE A 44 45.193 -21.112 -11.537 1.00 0.00 O ATOM 656 CB PHE A 44 43.201 -20.237 -9.328 1.00 0.00 C ATOM 657 CG PHE A 44 44.610 -20.263 -8.808 1.00 0.00 C ATOM 658 CD1 PHE A 44 45.003 -21.216 -7.882 1.00 0.00 C ATOM 659 CD2 PHE A 44 45.541 -19.335 -9.246 1.00 0.00 C ATOM 660 CE1 PHE A 44 46.299 -21.243 -7.402 1.00 0.00 C ATOM 661 CE2 PHE A 44 46.838 -19.358 -8.770 1.00 0.00 C ATOM 662 CZ PHE A 44 47.217 -20.312 -7.846 1.00 0.00 C ATOM 0 H PHE A 44 44.032 -22.858 -10.077 1.00 0.00 H new ATOM 0 HA PHE A 44 41.997 -20.918 -10.974 1.00 0.00 H new ATOM 0 HB2 PHE A 44 42.928 -19.208 -9.563 1.00 0.00 H new ATOM 0 HB3 PHE A 44 42.526 -20.574 -8.542 1.00 0.00 H new ATOM 0 HD1 PHE A 44 44.289 -21.946 -7.531 1.00 0.00 H new ATOM 0 HD2 PHE A 44 45.250 -18.586 -9.967 1.00 0.00 H new ATOM 0 HE1 PHE A 44 46.593 -21.991 -6.681 1.00 0.00 H new ATOM 0 HE2 PHE A 44 47.555 -18.630 -9.120 1.00 0.00 H new ATOM 0 HZ PHE A 44 48.230 -20.330 -7.471 1.00 0.00 H new ATOM 672 N HIS A 45 43.577 -20.017 -12.658 1.00 0.00 N ATOM 673 CA HIS A 45 44.460 -19.603 -13.744 1.00 0.00 C ATOM 674 C HIS A 45 45.245 -18.353 -13.359 1.00 0.00 C ATOM 675 O HIS A 45 44.768 -17.520 -12.589 1.00 0.00 O ATOM 676 CB HIS A 45 43.651 -19.341 -15.015 1.00 0.00 C ATOM 677 CG HIS A 45 43.624 -20.503 -15.959 1.00 0.00 C ATOM 678 ND1 HIS A 45 42.456 -21.087 -16.401 1.00 0.00 N ATOM 679 CD2 HIS A 45 44.632 -21.189 -16.546 1.00 0.00 C ATOM 680 CE1 HIS A 45 42.747 -22.083 -17.218 1.00 0.00 C ATOM 681 NE2 HIS A 45 44.061 -22.166 -17.324 1.00 0.00 N ATOM 0 H HIS A 45 42.611 -19.704 -12.757 1.00 0.00 H new ATOM 0 HA HIS A 45 45.167 -20.411 -13.933 1.00 0.00 H new ATOM 0 HB2 HIS A 45 42.628 -19.085 -14.738 1.00 0.00 H new ATOM 0 HB3 HIS A 45 44.068 -18.475 -15.529 1.00 0.00 H new ATOM 0 HD2 HIS A 45 45.689 -21.003 -16.425 1.00 0.00 H new ATOM 0 HE1 HIS A 45 42.032 -22.721 -17.715 1.00 0.00 H new ATOM 0 HE2 HIS A 45 44.569 -22.845 -17.891 1.00 0.00 H new ATOM 689 N TYR A 46 46.452 -18.229 -13.900 1.00 0.00 N ATOM 690 CA TYR A 46 47.305 -17.083 -13.611 1.00 0.00 C ATOM 691 C TYR A 46 46.577 -15.774 -13.903 1.00 0.00 C ATOM 692 O TYR A 46 46.588 -14.850 -13.091 1.00 0.00 O ATOM 693 CB TYR A 46 48.592 -17.158 -14.435 1.00 0.00 C ATOM 694 CG TYR A 46 49.730 -17.850 -13.718 1.00 0.00 C ATOM 695 CD1 TYR A 46 49.515 -19.023 -13.005 1.00 0.00 C ATOM 696 CD2 TYR A 46 51.018 -17.332 -13.754 1.00 0.00 C ATOM 697 CE1 TYR A 46 50.551 -19.659 -12.348 1.00 0.00 C ATOM 698 CE2 TYR A 46 52.060 -17.962 -13.102 1.00 0.00 C ATOM 699 CZ TYR A 46 51.822 -19.125 -12.400 1.00 0.00 C ATOM 700 OH TYR A 46 52.857 -19.755 -11.748 1.00 0.00 O ATOM 0 H TYR A 46 46.862 -18.908 -14.541 1.00 0.00 H new ATOM 0 HA TYR A 46 47.558 -17.109 -12.551 1.00 0.00 H new ATOM 0 HB2 TYR A 46 48.387 -17.685 -15.367 1.00 0.00 H new ATOM 0 HB3 TYR A 46 48.902 -16.148 -14.702 1.00 0.00 H new ATOM 0 HD1 TYR A 46 48.522 -19.445 -12.964 1.00 0.00 H new ATOM 0 HD2 TYR A 46 51.208 -16.421 -14.301 1.00 0.00 H new ATOM 0 HE1 TYR A 46 50.367 -20.569 -11.797 1.00 0.00 H new ATOM 0 HE2 TYR A 46 53.056 -17.546 -13.142 1.00 0.00 H new ATOM 0 HH TYR A 46 52.884 -20.698 -12.012 1.00 0.00 H new ATOM 710 N SER A 47 45.943 -15.705 -15.070 1.00 0.00 N ATOM 711 CA SER A 47 45.211 -14.510 -15.472 1.00 0.00 C ATOM 712 C SER A 47 44.143 -14.154 -14.442 1.00 0.00 C ATOM 713 O SER A 47 43.819 -12.983 -14.249 1.00 0.00 O ATOM 714 CB SER A 47 44.565 -14.720 -16.843 1.00 0.00 C ATOM 715 OG SER A 47 45.477 -15.310 -17.752 1.00 0.00 O ATOM 0 H SER A 47 45.922 -16.462 -15.753 1.00 0.00 H new ATOM 0 HA SER A 47 45.919 -13.684 -15.534 1.00 0.00 H new ATOM 0 HB2 SER A 47 43.686 -15.356 -16.741 1.00 0.00 H new ATOM 0 HB3 SER A 47 44.222 -13.763 -17.237 1.00 0.00 H new ATOM 0 HG SER A 47 45.039 -15.435 -18.620 1.00 0.00 H new ATOM 721 N GLU A 48 43.601 -15.174 -13.785 1.00 0.00 N ATOM 722 CA GLU A 48 42.569 -14.970 -12.775 1.00 0.00 C ATOM 723 C GLU A 48 43.167 -14.394 -11.495 1.00 0.00 C ATOM 724 O GLU A 48 42.489 -13.699 -10.737 1.00 0.00 O ATOM 725 CB GLU A 48 41.855 -16.288 -12.470 1.00 0.00 C ATOM 726 CG GLU A 48 41.180 -16.909 -13.681 1.00 0.00 C ATOM 727 CD GLU A 48 40.303 -15.924 -14.429 1.00 0.00 C ATOM 728 OE1 GLU A 48 39.339 -15.409 -13.825 1.00 0.00 O ATOM 729 OE2 GLU A 48 40.581 -15.669 -15.620 1.00 0.00 O ATOM 0 H GLU A 48 43.859 -16.150 -13.934 1.00 0.00 H new ATOM 0 HA GLU A 48 41.846 -14.257 -13.170 1.00 0.00 H new ATOM 0 HB2 GLU A 48 42.577 -16.997 -12.064 1.00 0.00 H new ATOM 0 HB3 GLU A 48 41.107 -16.116 -11.696 1.00 0.00 H new ATOM 0 HG2 GLU A 48 41.941 -17.298 -14.357 1.00 0.00 H new ATOM 0 HG3 GLU A 48 40.575 -17.757 -13.360 1.00 0.00 H new ATOM 736 N PHE A 49 44.442 -14.688 -11.260 1.00 0.00 N ATOM 737 CA PHE A 49 45.131 -14.201 -10.071 1.00 0.00 C ATOM 738 C PHE A 49 45.521 -12.734 -10.230 1.00 0.00 C ATOM 739 O PHE A 49 45.883 -12.292 -11.320 1.00 0.00 O ATOM 740 CB PHE A 49 46.378 -15.045 -9.797 1.00 0.00 C ATOM 741 CG PHE A 49 46.971 -14.816 -8.436 1.00 0.00 C ATOM 742 CD1 PHE A 49 47.826 -13.749 -8.209 1.00 0.00 C ATOM 743 CD2 PHE A 49 46.672 -15.667 -7.384 1.00 0.00 C ATOM 744 CE1 PHE A 49 48.372 -13.537 -6.958 1.00 0.00 C ATOM 745 CE2 PHE A 49 47.216 -15.459 -6.130 1.00 0.00 C ATOM 746 CZ PHE A 49 48.066 -14.392 -5.917 1.00 0.00 C ATOM 0 H PHE A 49 45.018 -15.261 -11.877 1.00 0.00 H new ATOM 0 HA PHE A 49 44.449 -14.287 -9.225 1.00 0.00 H new ATOM 0 HB2 PHE A 49 46.123 -16.100 -9.900 1.00 0.00 H new ATOM 0 HB3 PHE A 49 47.130 -14.823 -10.554 1.00 0.00 H new ATOM 0 HD1 PHE A 49 48.068 -13.076 -9.019 1.00 0.00 H new ATOM 0 HD2 PHE A 49 46.007 -16.502 -7.545 1.00 0.00 H new ATOM 0 HE1 PHE A 49 49.038 -12.703 -6.794 1.00 0.00 H new ATOM 0 HE2 PHE A 49 46.976 -16.130 -5.318 1.00 0.00 H new ATOM 0 HZ PHE A 49 48.491 -14.226 -4.938 1.00 0.00 H new ATOM 756 N SER A 50 45.444 -11.985 -9.135 1.00 0.00 N ATOM 757 CA SER A 50 45.784 -10.568 -9.153 1.00 0.00 C ATOM 758 C SER A 50 46.570 -10.182 -7.904 1.00 0.00 C ATOM 759 O SER A 50 45.997 -9.966 -6.837 1.00 0.00 O ATOM 760 CB SER A 50 44.516 -9.718 -9.253 1.00 0.00 C ATOM 761 OG SER A 50 44.435 -9.069 -10.510 1.00 0.00 O ATOM 0 H SER A 50 45.149 -12.336 -8.224 1.00 0.00 H new ATOM 0 HA SER A 50 46.408 -10.381 -10.027 1.00 0.00 H new ATOM 0 HB2 SER A 50 43.639 -10.349 -9.109 1.00 0.00 H new ATOM 0 HB3 SER A 50 44.509 -8.975 -8.455 1.00 0.00 H new ATOM 0 HG SER A 50 43.615 -8.534 -10.549 1.00 0.00 H new ATOM 767 N GLY A 51 47.890 -10.096 -8.045 1.00 0.00 N ATOM 768 CA GLY A 51 48.735 -9.737 -6.922 1.00 0.00 C ATOM 769 C GLY A 51 50.084 -10.427 -6.966 1.00 0.00 C ATOM 770 O GLY A 51 50.498 -11.058 -5.994 1.00 0.00 O ATOM 0 H GLY A 51 48.389 -10.269 -8.918 1.00 0.00 H new ATOM 0 HA2 GLY A 51 48.883 -8.657 -6.914 1.00 0.00 H new ATOM 0 HA3 GLY A 51 48.228 -9.996 -5.993 1.00 0.00 H new ATOM 774 N ASP A 52 50.770 -10.308 -8.098 1.00 0.00 N ATOM 775 CA ASP A 52 52.080 -10.926 -8.266 1.00 0.00 C ATOM 776 C ASP A 52 51.993 -12.439 -8.096 1.00 0.00 C ATOM 777 O ASP A 52 52.052 -12.953 -6.979 1.00 0.00 O ATOM 778 CB ASP A 52 53.075 -10.344 -7.261 1.00 0.00 C ATOM 779 CG ASP A 52 53.177 -8.834 -7.355 1.00 0.00 C ATOM 780 OD1 ASP A 52 52.404 -8.141 -6.661 1.00 0.00 O ATOM 781 OD2 ASP A 52 54.032 -8.345 -8.123 1.00 0.00 O ATOM 0 H ASP A 52 50.441 -9.789 -8.912 1.00 0.00 H new ATOM 0 HA ASP A 52 52.428 -10.711 -9.276 1.00 0.00 H new ATOM 0 HB2 ASP A 52 52.772 -10.623 -6.252 1.00 0.00 H new ATOM 0 HB3 ASP A 52 54.058 -10.783 -7.432 1.00 0.00 H new ATOM 786 N VAL A 53 51.851 -13.148 -9.212 1.00 0.00 N ATOM 787 CA VAL A 53 51.756 -14.602 -9.187 1.00 0.00 C ATOM 788 C VAL A 53 53.122 -15.246 -9.394 1.00 0.00 C ATOM 789 O VAL A 53 53.386 -16.340 -8.894 1.00 0.00 O ATOM 790 CB VAL A 53 50.787 -15.120 -10.267 1.00 0.00 C ATOM 791 CG1 VAL A 53 51.304 -14.777 -11.656 1.00 0.00 C ATOM 792 CG2 VAL A 53 50.580 -16.620 -10.121 1.00 0.00 C ATOM 0 H VAL A 53 51.799 -12.738 -10.145 1.00 0.00 H new ATOM 0 HA VAL A 53 51.373 -14.877 -8.204 1.00 0.00 H new ATOM 0 HB VAL A 53 49.823 -14.629 -10.133 1.00 0.00 H new ATOM 0 HG11 VAL A 53 50.607 -15.151 -12.406 1.00 0.00 H new ATOM 0 HG12 VAL A 53 51.396 -13.695 -11.753 1.00 0.00 H new ATOM 0 HG13 VAL A 53 52.280 -15.239 -11.805 1.00 0.00 H new ATOM 0 HG21 VAL A 53 49.893 -16.969 -10.892 1.00 0.00 H new ATOM 0 HG22 VAL A 53 51.536 -17.131 -10.229 1.00 0.00 H new ATOM 0 HG23 VAL A 53 50.162 -16.836 -9.138 1.00 0.00 H new ATOM 802 N ASP A 54 53.987 -14.561 -10.134 1.00 0.00 N ATOM 803 CA ASP A 54 55.328 -15.065 -10.406 1.00 0.00 C ATOM 804 C ASP A 54 56.179 -15.056 -9.140 1.00 0.00 C ATOM 805 O ASP A 54 57.062 -15.896 -8.968 1.00 0.00 O ATOM 806 CB ASP A 54 56.000 -14.226 -11.494 1.00 0.00 C ATOM 807 CG ASP A 54 56.385 -15.051 -12.706 1.00 0.00 C ATOM 808 OD1 ASP A 54 57.408 -15.764 -12.639 1.00 0.00 O ATOM 809 OD2 ASP A 54 55.662 -14.984 -13.722 1.00 0.00 O ATOM 0 H ASP A 54 53.783 -13.655 -10.556 1.00 0.00 H new ATOM 0 HA ASP A 54 55.239 -16.094 -10.755 1.00 0.00 H new ATOM 0 HB2 ASP A 54 55.325 -13.427 -11.801 1.00 0.00 H new ATOM 0 HB3 ASP A 54 56.891 -13.751 -11.084 1.00 0.00 H new ATOM 814 N SER A 55 55.908 -14.100 -8.257 1.00 0.00 N ATOM 815 CA SER A 55 56.653 -13.979 -7.010 1.00 0.00 C ATOM 816 C SER A 55 56.157 -14.990 -5.981 1.00 0.00 C ATOM 817 O SER A 55 56.901 -15.402 -5.089 1.00 0.00 O ATOM 818 CB SER A 55 56.524 -12.561 -6.450 1.00 0.00 C ATOM 819 OG SER A 55 56.616 -12.560 -5.036 1.00 0.00 O ATOM 0 H SER A 55 55.178 -13.398 -8.382 1.00 0.00 H new ATOM 0 HA SER A 55 57.702 -14.185 -7.221 1.00 0.00 H new ATOM 0 HB2 SER A 55 57.307 -11.929 -6.869 1.00 0.00 H new ATOM 0 HB3 SER A 55 55.570 -12.131 -6.756 1.00 0.00 H new ATOM 0 HG SER A 55 56.532 -11.642 -4.703 1.00 0.00 H new ATOM 825 N LEU A 56 54.896 -15.387 -6.110 1.00 0.00 N ATOM 826 CA LEU A 56 54.299 -16.351 -5.193 1.00 0.00 C ATOM 827 C LEU A 56 55.161 -17.604 -5.082 1.00 0.00 C ATOM 828 O LEU A 56 55.843 -17.985 -6.033 1.00 0.00 O ATOM 829 CB LEU A 56 52.891 -16.726 -5.660 1.00 0.00 C ATOM 830 CG LEU A 56 51.738 -16.209 -4.799 1.00 0.00 C ATOM 831 CD1 LEU A 56 50.401 -16.631 -5.389 1.00 0.00 C ATOM 832 CD2 LEU A 56 51.874 -16.711 -3.369 1.00 0.00 C ATOM 0 H LEU A 56 54.267 -15.056 -6.841 1.00 0.00 H new ATOM 0 HA LEU A 56 54.237 -15.887 -4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 56 52.755 -16.353 -6.675 1.00 0.00 H new ATOM 0 HB3 LEU A 56 52.823 -17.813 -5.708 1.00 0.00 H new ATOM 0 HG LEU A 56 51.779 -15.120 -4.786 1.00 0.00 H new ATOM 0 HD11 LEU A 56 49.592 -16.254 -4.763 1.00 0.00 H new ATOM 0 HD12 LEU A 56 50.302 -16.223 -6.395 1.00 0.00 H new ATOM 0 HD13 LEU A 56 50.350 -17.719 -5.432 1.00 0.00 H new ATOM 0 HD21 LEU A 56 51.045 -16.333 -2.770 1.00 0.00 H new ATOM 0 HD22 LEU A 56 51.859 -17.801 -3.363 1.00 0.00 H new ATOM 0 HD23 LEU A 56 52.816 -16.359 -2.948 1.00 0.00 H new ATOM 844 N GLU A 57 55.122 -18.243 -3.917 1.00 0.00 N ATOM 845 CA GLU A 57 55.900 -19.454 -3.684 1.00 0.00 C ATOM 846 C GLU A 57 55.130 -20.433 -2.802 1.00 0.00 C ATOM 847 O GLU A 57 54.181 -20.053 -2.115 1.00 0.00 O ATOM 848 CB GLU A 57 57.240 -19.109 -3.032 1.00 0.00 C ATOM 849 CG GLU A 57 57.103 -18.384 -1.704 1.00 0.00 C ATOM 850 CD GLU A 57 58.439 -18.149 -1.026 1.00 0.00 C ATOM 851 OE1 GLU A 57 59.410 -18.857 -1.367 1.00 0.00 O ATOM 852 OE2 GLU A 57 58.513 -17.257 -0.156 1.00 0.00 O ATOM 0 H GLU A 57 54.560 -17.942 -3.120 1.00 0.00 H new ATOM 0 HA GLU A 57 56.085 -19.927 -4.648 1.00 0.00 H new ATOM 0 HB2 GLU A 57 57.806 -20.027 -2.878 1.00 0.00 H new ATOM 0 HB3 GLU A 57 57.818 -18.489 -3.717 1.00 0.00 H new ATOM 0 HG2 GLU A 57 56.609 -17.426 -1.867 1.00 0.00 H new ATOM 0 HG3 GLU A 57 56.461 -18.965 -1.042 1.00 0.00 H new ATOM 859 N LEU A 58 55.545 -21.695 -2.827 1.00 0.00 N ATOM 860 CA LEU A 58 54.895 -22.730 -2.031 1.00 0.00 C ATOM 861 C LEU A 58 54.914 -22.369 -0.549 1.00 0.00 C ATOM 862 O LEU A 58 55.964 -22.059 0.011 1.00 0.00 O ATOM 863 CB LEU A 58 55.586 -24.077 -2.248 1.00 0.00 C ATOM 864 CG LEU A 58 55.736 -24.528 -3.702 1.00 0.00 C ATOM 865 CD1 LEU A 58 56.538 -25.818 -3.781 1.00 0.00 C ATOM 866 CD2 LEU A 58 54.371 -24.706 -4.349 1.00 0.00 C ATOM 0 H LEU A 58 56.329 -22.026 -3.390 1.00 0.00 H new ATOM 0 HA LEU A 58 53.857 -22.805 -2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 58 56.578 -24.030 -1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 58 55.027 -24.841 -1.707 1.00 0.00 H new ATOM 0 HG LEU A 58 56.276 -23.755 -4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 58 56.634 -26.123 -4.823 1.00 0.00 H new ATOM 0 HD12 LEU A 58 57.529 -25.657 -3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 58 56.026 -26.600 -3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 58 54.498 -25.027 -5.383 1.00 0.00 H new ATOM 0 HD22 LEU A 58 53.804 -25.460 -3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 58 53.831 -23.759 -4.327 1.00 0.00 H new ATOM 878 N GLY A 59 53.744 -22.415 0.081 1.00 0.00 N ATOM 879 CA GLY A 59 53.648 -22.092 1.492 1.00 0.00 C ATOM 880 C GLY A 59 52.940 -20.775 1.739 1.00 0.00 C ATOM 881 O GLY A 59 52.379 -20.556 2.813 1.00 0.00 O ATOM 0 H GLY A 59 52.861 -22.670 -0.361 1.00 0.00 H new ATOM 0 HA2 GLY A 59 53.115 -22.890 2.009 1.00 0.00 H new ATOM 0 HA3 GLY A 59 54.649 -22.048 1.920 1.00 0.00 H new ATOM 885 N ASP A 60 52.969 -19.894 0.745 1.00 0.00 N ATOM 886 CA ASP A 60 52.325 -18.591 0.860 1.00 0.00 C ATOM 887 C ASP A 60 50.812 -18.740 0.983 1.00 0.00 C ATOM 888 O ASP A 60 50.231 -19.704 0.484 1.00 0.00 O ATOM 889 CB ASP A 60 52.668 -17.721 -0.351 1.00 0.00 C ATOM 890 CG ASP A 60 54.076 -17.164 -0.284 1.00 0.00 C ATOM 891 OD1 ASP A 60 54.736 -17.344 0.760 1.00 0.00 O ATOM 892 OD2 ASP A 60 54.518 -16.546 -1.276 1.00 0.00 O ATOM 0 H ASP A 60 53.431 -20.059 -0.149 1.00 0.00 H new ATOM 0 HA ASP A 60 52.698 -18.108 1.763 1.00 0.00 H new ATOM 0 HB2 ASP A 60 52.557 -18.310 -1.261 1.00 0.00 H new ATOM 0 HB3 ASP A 60 51.957 -16.897 -0.416 1.00 0.00 H new ATOM 897 N MET A 61 50.180 -17.781 1.651 1.00 0.00 N ATOM 898 CA MET A 61 48.735 -17.806 1.840 1.00 0.00 C ATOM 899 C MET A 61 48.028 -17.030 0.733 1.00 0.00 C ATOM 900 O MET A 61 48.576 -16.072 0.186 1.00 0.00 O ATOM 901 CB MET A 61 48.366 -17.221 3.204 1.00 0.00 C ATOM 902 CG MET A 61 48.100 -18.276 4.266 1.00 0.00 C ATOM 903 SD MET A 61 48.271 -17.632 5.942 1.00 0.00 S ATOM 904 CE MET A 61 50.042 -17.766 6.177 1.00 0.00 C ATOM 0 H MET A 61 50.646 -16.977 2.071 1.00 0.00 H new ATOM 0 HA MET A 61 48.407 -18.845 1.798 1.00 0.00 H new ATOM 0 HB2 MET A 61 49.174 -16.572 3.542 1.00 0.00 H new ATOM 0 HB3 MET A 61 47.480 -16.596 3.094 1.00 0.00 H new ATOM 0 HG2 MET A 61 47.093 -18.673 4.134 1.00 0.00 H new ATOM 0 HG3 MET A 61 48.791 -19.107 4.128 1.00 0.00 H new ATOM 0 HE1 MET A 61 50.305 -17.405 7.171 1.00 0.00 H new ATOM 0 HE2 MET A 61 50.344 -18.809 6.078 1.00 0.00 H new ATOM 0 HE3 MET A 61 50.555 -17.166 5.425 1.00 0.00 H new ATOM 914 N VAL A 62 46.810 -17.449 0.407 1.00 0.00 N ATOM 915 CA VAL A 62 46.028 -16.792 -0.634 1.00 0.00 C ATOM 916 C VAL A 62 44.536 -16.873 -0.335 1.00 0.00 C ATOM 917 O VAL A 62 44.093 -17.727 0.432 1.00 0.00 O ATOM 918 CB VAL A 62 46.298 -17.416 -2.016 1.00 0.00 C ATOM 919 CG1 VAL A 62 47.774 -17.309 -2.372 1.00 0.00 C ATOM 920 CG2 VAL A 62 45.839 -18.866 -2.045 1.00 0.00 C ATOM 0 H VAL A 62 46.343 -18.241 0.849 1.00 0.00 H new ATOM 0 HA VAL A 62 46.336 -15.746 -0.649 1.00 0.00 H new ATOM 0 HB VAL A 62 45.728 -16.863 -2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 62 47.945 -17.755 -3.352 1.00 0.00 H new ATOM 0 HG12 VAL A 62 48.068 -16.260 -2.395 1.00 0.00 H new ATOM 0 HG13 VAL A 62 48.368 -17.836 -1.625 1.00 0.00 H new ATOM 0 HG21 VAL A 62 46.037 -19.291 -3.029 1.00 0.00 H new ATOM 0 HG22 VAL A 62 46.380 -19.434 -1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 62 44.770 -18.913 -1.838 1.00 0.00 H new ATOM 930 N GLU A 63 43.765 -15.979 -0.947 1.00 0.00 N ATOM 931 CA GLU A 63 42.322 -15.950 -0.745 1.00 0.00 C ATOM 932 C GLU A 63 41.584 -16.272 -2.042 1.00 0.00 C ATOM 933 O GLU A 63 41.998 -15.855 -3.124 1.00 0.00 O ATOM 934 CB GLU A 63 41.884 -14.580 -0.224 1.00 0.00 C ATOM 935 CG GLU A 63 41.256 -14.626 1.159 1.00 0.00 C ATOM 936 CD GLU A 63 40.879 -13.251 1.675 1.00 0.00 C ATOM 937 OE1 GLU A 63 40.858 -12.299 0.867 1.00 0.00 O ATOM 938 OE2 GLU A 63 40.604 -13.128 2.887 1.00 0.00 O ATOM 0 H GLU A 63 44.116 -15.266 -1.586 1.00 0.00 H new ATOM 0 HA GLU A 63 42.070 -16.710 -0.005 1.00 0.00 H new ATOM 0 HB2 GLU A 63 42.749 -13.917 -0.199 1.00 0.00 H new ATOM 0 HB3 GLU A 63 41.170 -14.146 -0.924 1.00 0.00 H new ATOM 0 HG2 GLU A 63 40.366 -15.255 1.129 1.00 0.00 H new ATOM 0 HG3 GLU A 63 41.953 -15.093 1.855 1.00 0.00 H new ATOM 945 N TYR A 64 40.492 -17.018 -1.924 1.00 0.00 N ATOM 946 CA TYR A 64 39.698 -17.400 -3.087 1.00 0.00 C ATOM 947 C TYR A 64 38.245 -17.650 -2.695 1.00 0.00 C ATOM 948 O TYR A 64 37.894 -17.624 -1.516 1.00 0.00 O ATOM 949 CB TYR A 64 40.284 -18.651 -3.743 1.00 0.00 C ATOM 950 CG TYR A 64 40.203 -19.885 -2.873 1.00 0.00 C ATOM 951 CD1 TYR A 64 41.147 -20.124 -1.882 1.00 0.00 C ATOM 952 CD2 TYR A 64 39.182 -20.813 -3.044 1.00 0.00 C ATOM 953 CE1 TYR A 64 41.076 -21.251 -1.086 1.00 0.00 C ATOM 954 CE2 TYR A 64 39.103 -21.941 -2.251 1.00 0.00 C ATOM 955 CZ TYR A 64 40.053 -22.156 -1.274 1.00 0.00 C ATOM 956 OH TYR A 64 39.979 -23.280 -0.483 1.00 0.00 O ATOM 0 H TYR A 64 40.136 -17.371 -1.036 1.00 0.00 H new ATOM 0 HA TYR A 64 39.727 -16.577 -3.801 1.00 0.00 H new ATOM 0 HB2 TYR A 64 39.758 -18.841 -4.678 1.00 0.00 H new ATOM 0 HB3 TYR A 64 41.327 -18.463 -3.997 1.00 0.00 H new ATOM 0 HD1 TYR A 64 41.950 -19.417 -1.731 1.00 0.00 H new ATOM 0 HD2 TYR A 64 38.438 -20.649 -3.810 1.00 0.00 H new ATOM 0 HE1 TYR A 64 41.818 -21.422 -0.320 1.00 0.00 H new ATOM 0 HE2 TYR A 64 38.302 -22.651 -2.395 1.00 0.00 H new ATOM 0 HH TYR A 64 39.199 -23.813 -0.744 1.00 0.00 H new ATOM 966 N SER A 65 37.403 -17.895 -3.695 1.00 0.00 N ATOM 967 CA SER A 65 35.987 -18.148 -3.458 1.00 0.00 C ATOM 968 C SER A 65 35.487 -19.297 -4.328 1.00 0.00 C ATOM 969 O SER A 65 36.204 -19.788 -5.201 1.00 0.00 O ATOM 970 CB SER A 65 35.168 -16.886 -3.739 1.00 0.00 C ATOM 971 OG SER A 65 35.702 -15.768 -3.052 1.00 0.00 O ATOM 0 H SER A 65 37.678 -17.923 -4.677 1.00 0.00 H new ATOM 0 HA SER A 65 35.863 -18.428 -2.412 1.00 0.00 H new ATOM 0 HB2 SER A 65 35.157 -16.687 -4.811 1.00 0.00 H new ATOM 0 HB3 SER A 65 34.134 -17.044 -3.434 1.00 0.00 H new ATOM 0 HG SER A 65 35.162 -14.974 -3.249 1.00 0.00 H new ATOM 977 N LEU A 66 34.252 -19.722 -4.083 1.00 0.00 N ATOM 978 CA LEU A 66 33.654 -20.813 -4.844 1.00 0.00 C ATOM 979 C LEU A 66 32.319 -20.390 -5.447 1.00 0.00 C ATOM 980 O LEU A 66 31.555 -19.648 -4.829 1.00 0.00 O ATOM 981 CB LEU A 66 33.457 -22.037 -3.947 1.00 0.00 C ATOM 982 CG LEU A 66 34.649 -22.429 -3.073 1.00 0.00 C ATOM 983 CD1 LEU A 66 34.325 -23.667 -2.252 1.00 0.00 C ATOM 984 CD2 LEU A 66 35.884 -22.663 -3.931 1.00 0.00 C ATOM 0 H LEU A 66 33.646 -19.328 -3.364 1.00 0.00 H new ATOM 0 HA LEU A 66 34.332 -21.071 -5.657 1.00 0.00 H new ATOM 0 HB2 LEU A 66 32.601 -21.852 -3.298 1.00 0.00 H new ATOM 0 HB3 LEU A 66 33.200 -22.887 -4.579 1.00 0.00 H new ATOM 0 HG LEU A 66 34.858 -21.608 -2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 66 35.185 -23.931 -1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 66 33.468 -23.464 -1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 66 34.089 -24.495 -2.920 1.00 0.00 H new ATOM 0 HD21 LEU A 66 36.723 -22.941 -3.293 1.00 0.00 H new ATOM 0 HD22 LEU A 66 35.687 -23.466 -4.641 1.00 0.00 H new ATOM 0 HD23 LEU A 66 36.128 -21.750 -4.474 1.00 0.00 H new ATOM 1117 N SER A 75 36.808 -24.906 -8.945 1.00 0.00 N ATOM 1118 CA SER A 75 37.930 -24.007 -9.190 1.00 0.00 C ATOM 1119 C SER A 75 37.720 -22.670 -8.486 1.00 0.00 C ATOM 1120 O SER A 75 36.627 -22.376 -8.004 1.00 0.00 O ATOM 1121 CB SER A 75 38.111 -23.782 -10.693 1.00 0.00 C ATOM 1122 OG SER A 75 36.889 -23.962 -11.387 1.00 0.00 O ATOM 0 HA SER A 75 38.830 -24.472 -8.788 1.00 0.00 H new ATOM 0 HB2 SER A 75 38.488 -22.775 -10.870 1.00 0.00 H new ATOM 0 HB3 SER A 75 38.858 -24.475 -11.080 1.00 0.00 H new ATOM 0 HG SER A 75 36.225 -24.356 -10.783 1.00 0.00 H new ATOM 1128 N ALA A 76 38.775 -21.865 -8.432 1.00 0.00 N ATOM 1129 CA ALA A 76 38.707 -20.559 -7.789 1.00 0.00 C ATOM 1130 C ALA A 76 38.459 -19.455 -8.812 1.00 0.00 C ATOM 1131 O ALA A 76 38.515 -19.692 -10.018 1.00 0.00 O ATOM 1132 CB ALA A 76 39.988 -20.284 -7.014 1.00 0.00 C ATOM 0 H ALA A 76 39.688 -22.094 -8.826 1.00 0.00 H new ATOM 0 HA ALA A 76 37.869 -20.568 -7.093 1.00 0.00 H new ATOM 0 HB1 ALA A 76 39.923 -19.305 -6.539 1.00 0.00 H new ATOM 0 HB2 ALA A 76 40.123 -21.050 -6.250 1.00 0.00 H new ATOM 0 HB3 ALA A 76 40.837 -20.300 -7.697 1.00 0.00 H new ATOM 1138 N GLU A 77 38.184 -18.251 -8.322 1.00 0.00 N ATOM 1139 CA GLU A 77 37.926 -17.112 -9.195 1.00 0.00 C ATOM 1140 C GLU A 77 38.365 -15.809 -8.535 1.00 0.00 C ATOM 1141 O GLU A 77 38.031 -15.540 -7.381 1.00 0.00 O ATOM 1142 CB GLU A 77 36.439 -17.040 -9.550 1.00 0.00 C ATOM 1143 CG GLU A 77 35.518 -17.225 -8.356 1.00 0.00 C ATOM 1144 CD GLU A 77 34.062 -16.975 -8.697 1.00 0.00 C ATOM 1145 OE1 GLU A 77 33.793 -16.461 -9.803 1.00 0.00 O ATOM 1146 OE2 GLU A 77 33.193 -17.294 -7.860 1.00 0.00 O ATOM 0 H GLU A 77 38.134 -18.039 -7.326 1.00 0.00 H new ATOM 0 HA GLU A 77 38.505 -17.249 -10.108 1.00 0.00 H new ATOM 0 HB2 GLU A 77 36.231 -16.075 -10.012 1.00 0.00 H new ATOM 0 HB3 GLU A 77 36.214 -17.805 -10.293 1.00 0.00 H new ATOM 0 HG2 GLU A 77 35.628 -18.239 -7.971 1.00 0.00 H new ATOM 0 HG3 GLU A 77 35.822 -16.547 -7.559 1.00 0.00 H new ATOM 1153 N LYS A 78 39.119 -15.002 -9.275 1.00 0.00 N ATOM 1154 CA LYS A 78 39.605 -13.726 -8.763 1.00 0.00 C ATOM 1155 C LYS A 78 40.471 -13.931 -7.525 1.00 0.00 C ATOM 1156 O LYS A 78 40.209 -13.355 -6.469 1.00 0.00 O ATOM 1157 CB LYS A 78 38.429 -12.805 -8.430 1.00 0.00 C ATOM 1158 CG LYS A 78 37.482 -12.581 -9.596 1.00 0.00 C ATOM 1159 CD LYS A 78 37.004 -11.140 -9.656 1.00 0.00 C ATOM 1160 CE LYS A 78 35.492 -11.060 -9.805 1.00 0.00 C ATOM 1161 NZ LYS A 78 34.788 -11.595 -8.607 1.00 0.00 N ATOM 0 H LYS A 78 39.407 -15.209 -10.231 1.00 0.00 H new ATOM 0 HA LYS A 78 40.214 -13.261 -9.538 1.00 0.00 H new ATOM 0 HB2 LYS A 78 37.871 -13.230 -7.596 1.00 0.00 H new ATOM 0 HB3 LYS A 78 38.816 -11.842 -8.097 1.00 0.00 H new ATOM 0 HG2 LYS A 78 37.984 -12.838 -10.529 1.00 0.00 H new ATOM 0 HG3 LYS A 78 36.624 -13.247 -9.502 1.00 0.00 H new ATOM 0 HD2 LYS A 78 37.310 -10.616 -8.750 1.00 0.00 H new ATOM 0 HD3 LYS A 78 37.481 -10.632 -10.494 1.00 0.00 H new ATOM 0 HE2 LYS A 78 35.197 -10.023 -9.967 1.00 0.00 H new ATOM 0 HE3 LYS A 78 35.184 -11.620 -10.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 33.826 -11.203 -8.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 34.737 -12.632 -8.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 35.309 -11.325 -7.749 1.00 0.00 H new ATOM 1175 N VAL A 79 41.506 -14.754 -7.662 1.00 0.00 N ATOM 1176 CA VAL A 79 42.413 -15.033 -6.554 1.00 0.00 C ATOM 1177 C VAL A 79 43.356 -13.861 -6.308 1.00 0.00 C ATOM 1178 O VAL A 79 43.800 -13.201 -7.247 1.00 0.00 O ATOM 1179 CB VAL A 79 43.246 -16.302 -6.816 1.00 0.00 C ATOM 1180 CG1 VAL A 79 44.064 -16.667 -5.588 1.00 0.00 C ATOM 1181 CG2 VAL A 79 42.343 -17.455 -7.228 1.00 0.00 C ATOM 0 H VAL A 79 41.737 -15.239 -8.529 1.00 0.00 H new ATOM 0 HA VAL A 79 41.794 -15.190 -5.670 1.00 0.00 H new ATOM 0 HB VAL A 79 43.936 -16.100 -7.635 1.00 0.00 H new ATOM 0 HG11 VAL A 79 44.646 -17.566 -5.792 1.00 0.00 H new ATOM 0 HG12 VAL A 79 44.738 -15.846 -5.343 1.00 0.00 H new ATOM 0 HG13 VAL A 79 43.395 -16.851 -4.747 1.00 0.00 H new ATOM 0 HG21 VAL A 79 42.947 -18.344 -7.409 1.00 0.00 H new ATOM 0 HG22 VAL A 79 41.627 -17.659 -6.432 1.00 0.00 H new ATOM 0 HG23 VAL A 79 41.806 -17.189 -8.139 1.00 0.00 H new ATOM 1191 N ASN A 80 43.659 -13.608 -5.039 1.00 0.00 N ATOM 1192 CA ASN A 80 44.550 -12.515 -4.669 1.00 0.00 C ATOM 1193 C ASN A 80 45.341 -12.860 -3.411 1.00 0.00 C ATOM 1194 O ASN A 80 44.799 -13.416 -2.456 1.00 0.00 O ATOM 1195 CB ASN A 80 43.750 -11.230 -4.445 1.00 0.00 C ATOM 1196 CG ASN A 80 42.997 -11.240 -3.129 1.00 0.00 C ATOM 1197 OD1 ASN A 80 42.390 -12.244 -2.756 1.00 0.00 O ATOM 1198 ND2 ASN A 80 43.033 -10.119 -2.418 1.00 0.00 N ATOM 0 H ASN A 80 43.300 -14.145 -4.250 1.00 0.00 H new ATOM 0 HA ASN A 80 45.253 -12.360 -5.488 1.00 0.00 H new ATOM 0 HB2 ASN A 80 44.426 -10.376 -4.467 1.00 0.00 H new ATOM 0 HB3 ASN A 80 43.043 -11.098 -5.264 1.00 0.00 H new ATOM 0 HD21 ASN A 80 42.545 -10.066 -1.524 1.00 0.00 H new ATOM 0 HD22 ASN A 80 43.549 -9.311 -2.766 1.00 0.00 H new ATOM 1205 N LYS A 81 46.627 -12.526 -3.417 1.00 0.00 N ATOM 1206 CA LYS A 81 47.495 -12.798 -2.277 1.00 0.00 C ATOM 1207 C LYS A 81 46.971 -12.112 -1.020 1.00 0.00 C ATOM 1208 O LYS A 81 46.284 -11.093 -1.095 1.00 0.00 O ATOM 1209 CB LYS A 81 48.921 -12.328 -2.572 1.00 0.00 C ATOM 1210 CG LYS A 81 49.933 -13.459 -2.634 1.00 0.00 C ATOM 1211 CD LYS A 81 51.235 -13.080 -1.946 1.00 0.00 C ATOM 1212 CE LYS A 81 51.153 -13.293 -0.443 1.00 0.00 C ATOM 1213 NZ LYS A 81 52.428 -13.827 0.112 1.00 0.00 N ATOM 0 H LYS A 81 47.092 -12.066 -4.200 1.00 0.00 H new ATOM 0 HA LYS A 81 47.503 -13.874 -2.106 1.00 0.00 H new ATOM 0 HB2 LYS A 81 48.929 -11.792 -3.521 1.00 0.00 H new ATOM 0 HB3 LYS A 81 49.227 -11.619 -1.803 1.00 0.00 H new ATOM 0 HG2 LYS A 81 49.516 -14.348 -2.161 1.00 0.00 H new ATOM 0 HG3 LYS A 81 50.131 -13.715 -3.675 1.00 0.00 H new ATOM 0 HD2 LYS A 81 52.051 -13.676 -2.355 1.00 0.00 H new ATOM 0 HD3 LYS A 81 51.467 -12.036 -2.154 1.00 0.00 H new ATOM 0 HE2 LYS A 81 50.912 -12.349 0.045 1.00 0.00 H new ATOM 0 HE3 LYS A 81 50.341 -13.985 -0.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 52.331 -13.958 1.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 52.646 -14.740 -0.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 53.198 -13.155 -0.080 1.00 0.00 H new ATOM 1227 N THR A 82 47.302 -12.677 0.138 1.00 0.00 N ATOM 1228 CA THR A 82 46.865 -12.119 1.412 1.00 0.00 C ATOM 1229 C THR A 82 47.737 -12.619 2.558 1.00 0.00 C ATOM 1230 O THR A 82 48.309 -13.707 2.487 1.00 0.00 O ATOM 1231 CB THR A 82 45.396 -12.474 1.707 1.00 0.00 C ATOM 1232 OG1 THR A 82 45.011 -11.948 2.981 1.00 0.00 O ATOM 1233 CG2 THR A 82 45.190 -13.981 1.691 1.00 0.00 C ATOM 0 H THR A 82 47.871 -13.520 0.219 1.00 0.00 H new ATOM 0 HA THR A 82 46.960 -11.036 1.332 1.00 0.00 H new ATOM 0 HB THR A 82 44.775 -12.030 0.929 1.00 0.00 H new ATOM 0 HG1 THR A 82 44.075 -12.177 3.160 1.00 0.00 H new ATOM 0 HG21 THR A 82 44.145 -14.208 1.902 1.00 0.00 H new ATOM 0 HG22 THR A 82 45.456 -14.374 0.710 1.00 0.00 H new ATOM 0 HG23 THR A 82 45.822 -14.443 2.450 1.00 0.00 H new