USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 486 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 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -1.11 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc=-0.00828 K(o=-0.0083,f=-0.98) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 90:sc= 0.407 USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 244 N CYS A 16 6.180 -1.869 -10.475 1.00 0.00 N ATOM 245 CA CYS A 16 5.009 -2.600 -10.022 1.00 0.00 C ATOM 246 C CYS A 16 5.420 -3.482 -8.841 1.00 0.00 C ATOM 247 O CYS A 16 5.121 -3.163 -7.691 1.00 0.00 O ATOM 248 CB CYS A 16 4.379 -3.418 -11.152 1.00 0.00 C ATOM 249 SG CYS A 16 3.117 -2.417 -12.020 1.00 0.00 S ATOM 0 HA CYS A 16 4.241 -1.896 -9.700 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.149 -3.736 -11.855 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.923 -4.322 -10.748 1.00 0.00 H new ATOM 0 HG CYS A 16 2.590 -3.119 -12.979 1.00 0.00 H new ATOM 255 N VAL A 17 6.099 -4.572 -9.165 1.00 0.00 N ATOM 256 CA VAL A 17 6.554 -5.502 -8.146 1.00 0.00 C ATOM 257 C VAL A 17 7.913 -6.074 -8.553 1.00 0.00 C ATOM 258 O VAL A 17 8.851 -6.084 -7.757 1.00 0.00 O ATOM 259 CB VAL A 17 5.496 -6.582 -7.912 1.00 0.00 C ATOM 260 CG1 VAL A 17 4.260 -5.999 -7.224 1.00 0.00 C ATOM 261 CG2 VAL A 17 5.118 -7.272 -9.224 1.00 0.00 C ATOM 0 H VAL A 17 6.345 -4.832 -10.120 1.00 0.00 H new ATOM 0 HA VAL A 17 6.690 -4.988 -7.194 1.00 0.00 H new ATOM 0 HB VAL A 17 5.925 -7.333 -7.249 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.524 -6.788 -7.069 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.545 -5.575 -6.261 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.829 -5.218 -7.851 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.364 -8.035 -9.030 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.717 -6.535 -9.920 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.003 -7.738 -9.658 1.00 0.00 H new ATOM 271 N SER A 18 7.976 -6.537 -9.793 1.00 0.00 N ATOM 272 CA SER A 18 9.205 -7.110 -10.316 1.00 0.00 C ATOM 273 C SER A 18 9.697 -8.226 -9.393 1.00 0.00 C ATOM 274 O SER A 18 9.101 -8.478 -8.347 1.00 0.00 O ATOM 275 CB SER A 18 10.286 -6.039 -10.478 1.00 0.00 C ATOM 276 OG SER A 18 10.969 -6.154 -11.724 1.00 0.00 O ATOM 0 H SER A 18 7.196 -6.527 -10.450 1.00 0.00 H new ATOM 0 HA SER A 18 8.996 -7.528 -11.300 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.832 -5.051 -10.403 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.004 -6.122 -9.662 1.00 0.00 H new ATOM 0 HG SER A 18 11.650 -5.452 -11.790 1.00 0.00 H new ATOM 282 N GLU A 19 10.780 -8.863 -9.813 1.00 0.00 N ATOM 283 CA GLU A 19 11.359 -9.947 -9.036 1.00 0.00 C ATOM 284 C GLU A 19 11.716 -9.460 -7.630 1.00 0.00 C ATOM 285 O GLU A 19 11.745 -10.247 -6.685 1.00 0.00 O ATOM 286 CB GLU A 19 12.583 -10.533 -9.741 1.00 0.00 C ATOM 287 CG GLU A 19 13.110 -11.761 -8.995 1.00 0.00 C ATOM 288 CD GLU A 19 14.624 -11.898 -9.165 1.00 0.00 C ATOM 289 OE1 GLU A 19 15.191 -11.357 -10.126 1.00 0.00 O ATOM 290 OE2 GLU A 19 15.214 -12.596 -8.255 1.00 0.00 O ATOM 0 H GLU A 19 11.272 -8.650 -10.681 1.00 0.00 H new ATOM 0 HA GLU A 19 10.618 -10.741 -8.947 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.321 -10.808 -10.763 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.366 -9.778 -9.805 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.865 -11.680 -7.936 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.616 -12.658 -9.369 1.00 0.00 H new ATOM 297 N LYS A 20 11.979 -8.165 -7.536 1.00 0.00 N ATOM 298 CA LYS A 20 12.333 -7.564 -6.261 1.00 0.00 C ATOM 299 C LYS A 20 11.213 -7.823 -5.252 1.00 0.00 C ATOM 300 O LYS A 20 11.389 -8.592 -4.308 1.00 0.00 O ATOM 301 CB LYS A 20 12.667 -6.081 -6.442 1.00 0.00 C ATOM 302 CG LYS A 20 13.030 -5.434 -5.104 1.00 0.00 C ATOM 303 CD LYS A 20 13.912 -4.201 -5.314 1.00 0.00 C ATOM 304 CE LYS A 20 14.618 -3.805 -4.015 1.00 0.00 C ATOM 305 NZ LYS A 20 16.051 -4.172 -4.072 1.00 0.00 N ATOM 0 H LYS A 20 11.954 -7.515 -8.322 1.00 0.00 H new ATOM 0 HA LYS A 20 13.236 -8.024 -5.861 1.00 0.00 H new ATOM 0 HB2 LYS A 20 13.498 -5.974 -7.139 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.814 -5.563 -6.881 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.121 -5.149 -4.575 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.552 -6.156 -4.476 1.00 0.00 H new ATOM 0 HD2 LYS A 20 14.653 -4.406 -6.087 1.00 0.00 H new ATOM 0 HD3 LYS A 20 13.303 -3.370 -5.669 1.00 0.00 H new ATOM 0 HE2 LYS A 20 14.517 -2.732 -3.852 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.142 -4.302 -3.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.516 -3.897 -3.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.141 -5.199 -4.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 16.504 -3.678 -4.867 1.00 0.00 H new ATOM 319 N LEU A 21 10.086 -7.166 -5.484 1.00 0.00 N ATOM 320 CA LEU A 21 8.938 -7.316 -4.607 1.00 0.00 C ATOM 321 C LEU A 21 8.546 -8.793 -4.534 1.00 0.00 C ATOM 322 O LEU A 21 8.074 -9.264 -3.500 1.00 0.00 O ATOM 323 CB LEU A 21 7.798 -6.398 -5.054 1.00 0.00 C ATOM 324 CG LEU A 21 7.004 -5.721 -3.936 1.00 0.00 C ATOM 325 CD1 LEU A 21 6.437 -6.755 -2.961 1.00 0.00 C ATOM 326 CD2 LEU A 21 7.852 -4.665 -3.223 1.00 0.00 C ATOM 0 H LEU A 21 9.944 -6.528 -6.267 1.00 0.00 H new ATOM 0 HA LEU A 21 9.190 -7.003 -3.594 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.214 -5.623 -5.698 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.106 -6.981 -5.662 1.00 0.00 H new ATOM 0 HG LEU A 21 6.156 -5.204 -4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.877 -6.246 -2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.775 -7.435 -3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.255 -7.321 -2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.264 -4.199 -2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.733 -5.138 -2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.164 -3.905 -3.939 1.00 0.00 H new ATOM 338 N LEU A 22 8.756 -9.483 -5.645 1.00 0.00 N ATOM 339 CA LEU A 22 8.431 -10.897 -5.721 1.00 0.00 C ATOM 340 C LEU A 22 9.065 -11.626 -4.534 1.00 0.00 C ATOM 341 O LEU A 22 8.359 -12.162 -3.681 1.00 0.00 O ATOM 342 CB LEU A 22 8.836 -11.468 -7.081 1.00 0.00 C ATOM 343 CG LEU A 22 7.883 -12.502 -7.685 1.00 0.00 C ATOM 344 CD1 LEU A 22 7.808 -13.755 -6.810 1.00 0.00 C ATOM 345 CD2 LEU A 22 6.502 -11.895 -7.936 1.00 0.00 C ATOM 0 H LEU A 22 9.147 -9.089 -6.500 1.00 0.00 H new ATOM 0 HA LEU A 22 7.354 -11.045 -5.648 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.937 -10.641 -7.784 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.821 -11.925 -6.982 1.00 0.00 H new ATOM 0 HG LEU A 22 8.280 -12.808 -8.653 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.124 -14.474 -7.262 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.799 -14.200 -6.726 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.447 -13.485 -5.818 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.845 -12.651 -8.365 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.083 -11.543 -6.994 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.593 -11.058 -8.628 1.00 0.00 H new ATOM 357 N ARG A 23 10.389 -11.622 -4.518 1.00 0.00 N ATOM 358 CA ARG A 23 11.127 -12.276 -3.450 1.00 0.00 C ATOM 359 C ARG A 23 10.881 -11.561 -2.120 1.00 0.00 C ATOM 360 O ARG A 23 11.021 -12.159 -1.054 1.00 0.00 O ATOM 361 CB ARG A 23 12.628 -12.289 -3.745 1.00 0.00 C ATOM 362 CG ARG A 23 13.196 -10.869 -3.758 1.00 0.00 C ATOM 363 CD ARG A 23 14.726 -10.891 -3.771 1.00 0.00 C ATOM 364 NE ARG A 23 15.246 -10.789 -2.389 1.00 0.00 N ATOM 365 CZ ARG A 23 15.024 -9.737 -1.572 1.00 0.00 C ATOM 366 NH1 ARG A 23 14.290 -8.686 -1.994 1.00 0.00 N ATOM 367 NH2 ARG A 23 15.537 -9.752 -0.356 1.00 0.00 N ATOM 0 H ARG A 23 10.971 -11.176 -5.227 1.00 0.00 H new ATOM 0 HA ARG A 23 10.773 -13.305 -3.384 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.145 -12.884 -2.993 1.00 0.00 H new ATOM 0 HB3 ARG A 23 12.809 -12.766 -4.708 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.829 -10.335 -4.634 1.00 0.00 H new ATOM 0 HG3 ARG A 23 12.844 -10.325 -2.882 1.00 0.00 H new ATOM 0 HD2 ARG A 23 15.081 -11.812 -4.235 1.00 0.00 H new ATOM 0 HD3 ARG A 23 15.105 -10.065 -4.373 1.00 0.00 H new ATOM 0 HE ARG A 23 15.807 -11.562 -2.031 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.899 -8.683 -2.936 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.127 -7.895 -1.371 1.00 0.00 H new ATOM 0 HH21 ARG A 23 16.092 -10.550 -0.046 1.00 0.00 H new ATOM 0 HH22 ARG A 23 15.379 -8.965 0.274 1.00 0.00 H new ATOM 381 N LYS A 24 10.519 -10.291 -2.226 1.00 0.00 N ATOM 382 CA LYS A 24 10.253 -9.488 -1.045 1.00 0.00 C ATOM 383 C LYS A 24 9.094 -10.108 -0.262 1.00 0.00 C ATOM 384 O LYS A 24 9.291 -10.638 0.830 1.00 0.00 O ATOM 385 CB LYS A 24 10.021 -8.026 -1.432 1.00 0.00 C ATOM 386 CG LYS A 24 10.470 -7.084 -0.313 1.00 0.00 C ATOM 387 CD LYS A 24 9.325 -6.171 0.129 1.00 0.00 C ATOM 388 CE LYS A 24 9.856 -4.947 0.876 1.00 0.00 C ATOM 389 NZ LYS A 24 8.749 -4.024 1.212 1.00 0.00 N ATOM 0 H LYS A 24 10.404 -9.798 -3.112 1.00 0.00 H new ATOM 0 HA LYS A 24 11.119 -9.485 -0.384 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.568 -7.797 -2.346 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.964 -7.866 -1.645 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.824 -7.667 0.537 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.309 -6.480 -0.657 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.754 -5.850 -0.742 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.641 -6.725 0.772 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.364 -5.262 1.788 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.594 -4.431 0.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.127 -3.198 1.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.282 -3.709 0.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.059 -4.515 1.816 1.00 0.00 H new ATOM 403 N THR A 25 7.910 -10.022 -0.852 1.00 0.00 N ATOM 404 CA THR A 25 6.720 -10.568 -0.223 1.00 0.00 C ATOM 405 C THR A 25 6.916 -12.053 0.091 1.00 0.00 C ATOM 406 O THR A 25 6.973 -12.880 -0.817 1.00 0.00 O ATOM 407 CB THR A 25 5.530 -10.294 -1.146 1.00 0.00 C ATOM 408 OG1 THR A 25 4.482 -11.097 -0.609 1.00 0.00 O ATOM 409 CG2 THR A 25 5.742 -10.850 -2.555 1.00 0.00 C ATOM 0 H THR A 25 7.750 -9.582 -1.758 1.00 0.00 H new ATOM 0 HA THR A 25 6.524 -10.089 0.736 1.00 0.00 H new ATOM 0 HB THR A 25 5.354 -9.220 -1.203 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.671 -10.979 -1.147 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.869 -10.629 -3.169 1.00 0.00 H new ATOM 0 HG22 THR A 25 6.624 -10.389 -2.999 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.884 -11.929 -2.503 1.00 0.00 H new ATOM 417 N ARG A 26 7.013 -12.344 1.379 1.00 0.00 N ATOM 418 CA ARG A 26 7.202 -13.715 1.824 1.00 0.00 C ATOM 419 C ARG A 26 6.034 -14.588 1.362 1.00 0.00 C ATOM 420 O ARG A 26 5.106 -14.101 0.718 1.00 0.00 O ATOM 421 CB ARG A 26 7.313 -13.789 3.348 1.00 0.00 C ATOM 422 CG ARG A 26 8.624 -13.168 3.833 1.00 0.00 C ATOM 423 CD ARG A 26 8.790 -13.347 5.344 1.00 0.00 C ATOM 424 NE ARG A 26 8.288 -12.149 6.054 1.00 0.00 N ATOM 425 CZ ARG A 26 8.805 -10.911 5.908 1.00 0.00 C ATOM 426 NH1 ARG A 26 9.846 -10.696 5.076 1.00 0.00 N ATOM 427 NH2 ARG A 26 8.278 -9.913 6.592 1.00 0.00 N ATOM 0 H ARG A 26 6.964 -11.655 2.129 1.00 0.00 H new ATOM 0 HA ARG A 26 8.130 -14.081 1.385 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.470 -13.269 3.803 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.258 -14.829 3.670 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.464 -13.631 3.314 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.642 -12.107 3.585 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.246 -14.231 5.676 1.00 0.00 H new ATOM 0 HD3 ARG A 26 9.840 -13.510 5.586 1.00 0.00 H new ATOM 0 HE ARG A 26 7.502 -12.267 6.694 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.248 -11.473 4.551 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.230 -9.757 4.972 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.492 -10.084 7.219 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.657 -8.971 6.493 1.00 0.00 H new ATOM 441 N GLU A 27 6.117 -15.864 1.709 1.00 0.00 N ATOM 442 CA GLU A 27 5.079 -16.810 1.337 1.00 0.00 C ATOM 443 C GLU A 27 4.252 -17.200 2.564 1.00 0.00 C ATOM 444 O GLU A 27 4.210 -18.369 2.943 1.00 0.00 O ATOM 445 CB GLU A 27 5.678 -18.047 0.665 1.00 0.00 C ATOM 446 CG GLU A 27 5.643 -17.915 -0.859 1.00 0.00 C ATOM 447 CD GLU A 27 7.021 -18.185 -1.465 1.00 0.00 C ATOM 448 OE1 GLU A 27 7.648 -19.207 -1.148 1.00 0.00 O ATOM 449 OE2 GLU A 27 7.438 -17.288 -2.293 1.00 0.00 O ATOM 0 H GLU A 27 6.887 -16.265 2.244 1.00 0.00 H new ATOM 0 HA GLU A 27 4.419 -16.329 0.615 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.707 -18.184 0.998 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.124 -18.935 0.969 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.917 -18.616 -1.272 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.311 -16.914 -1.133 1.00 0.00 H new ATOM 456 N SER A 28 3.614 -16.197 3.151 1.00 0.00 N ATOM 457 CA SER A 28 2.791 -16.420 4.327 1.00 0.00 C ATOM 458 C SER A 28 1.327 -16.112 4.007 1.00 0.00 C ATOM 459 O SER A 28 1.003 -15.712 2.890 1.00 0.00 O ATOM 460 CB SER A 28 3.268 -15.565 5.503 1.00 0.00 C ATOM 461 OG SER A 28 3.560 -16.355 6.653 1.00 0.00 O ATOM 0 H SER A 28 3.651 -15.228 2.834 1.00 0.00 H new ATOM 0 HA SER A 28 2.881 -17.468 4.614 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.158 -15.009 5.209 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.502 -14.831 5.752 1.00 0.00 H new ATOM 0 HG SER A 28 3.863 -15.773 7.381 1.00 0.00 H new ATOM 467 N PRO A 29 0.459 -16.317 5.034 1.00 0.00 N ATOM 468 CA PRO A 29 -0.963 -16.065 4.873 1.00 0.00 C ATOM 469 C PRO A 29 -1.259 -14.564 4.876 1.00 0.00 C ATOM 470 O PRO A 29 -0.573 -13.794 5.547 1.00 0.00 O ATOM 471 CB PRO A 29 -1.626 -16.804 6.025 1.00 0.00 C ATOM 472 CG PRO A 29 -0.529 -17.051 7.047 1.00 0.00 C ATOM 473 CD PRO A 29 0.807 -16.790 6.371 1.00 0.00 C ATOM 0 HA PRO A 29 -1.347 -16.419 3.916 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.434 -16.213 6.455 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -2.063 -17.743 5.687 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.655 -16.395 7.908 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.576 -18.075 7.417 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.388 -16.046 6.916 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.412 -17.696 6.326 1.00 0.00 H new ATOM 481 N LEU A 30 -2.280 -14.193 4.119 1.00 0.00 N ATOM 482 CA LEU A 30 -2.675 -12.798 4.026 1.00 0.00 C ATOM 483 C LEU A 30 -3.867 -12.546 4.952 1.00 0.00 C ATOM 484 O LEU A 30 -4.141 -11.406 5.321 1.00 0.00 O ATOM 485 CB LEU A 30 -2.937 -12.411 2.569 1.00 0.00 C ATOM 486 CG LEU A 30 -4.073 -13.159 1.870 1.00 0.00 C ATOM 487 CD1 LEU A 30 -5.374 -12.355 1.925 1.00 0.00 C ATOM 488 CD2 LEU A 30 -3.687 -13.527 0.436 1.00 0.00 C ATOM 0 H LEU A 30 -2.846 -14.834 3.564 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.866 -12.151 4.364 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.154 -11.344 2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.020 -12.570 2.001 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.248 -14.092 2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.166 -12.909 1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.654 -12.187 2.965 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.230 -11.395 1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.512 -14.058 -0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.469 -12.619 -0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.804 -14.166 0.449 1.00 0.00 H new ATOM 500 N VAL A 31 -4.543 -13.631 5.302 1.00 0.00 N ATOM 501 CA VAL A 31 -5.698 -13.543 6.178 1.00 0.00 C ATOM 502 C VAL A 31 -5.333 -12.721 7.416 1.00 0.00 C ATOM 503 O VAL A 31 -6.035 -11.774 7.766 1.00 0.00 O ATOM 504 CB VAL A 31 -6.204 -14.945 6.520 1.00 0.00 C ATOM 505 CG1 VAL A 31 -6.542 -15.059 8.008 1.00 0.00 C ATOM 506 CG2 VAL A 31 -7.409 -15.320 5.655 1.00 0.00 C ATOM 0 H VAL A 31 -4.312 -14.576 4.994 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.518 -13.029 5.677 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.403 -15.651 6.303 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.899 -16.066 8.224 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.650 -14.856 8.600 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.318 -14.337 8.261 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.749 -16.322 5.919 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -8.215 -14.607 5.826 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.123 -15.299 4.603 1.00 0.00 H new ATOM 516 N PRO A 32 -4.205 -13.123 8.061 1.00 0.00 N ATOM 517 CA PRO A 32 -3.738 -12.435 9.252 1.00 0.00 C ATOM 518 C PRO A 32 -3.096 -11.093 8.893 1.00 0.00 C ATOM 519 O PRO A 32 -3.681 -10.037 9.129 1.00 0.00 O ATOM 520 CB PRO A 32 -2.767 -13.401 9.910 1.00 0.00 C ATOM 521 CG PRO A 32 -2.373 -14.396 8.830 1.00 0.00 C ATOM 522 CD PRO A 32 -3.349 -14.240 7.675 1.00 0.00 C ATOM 0 HA PRO A 32 -4.548 -12.180 9.935 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.893 -12.875 10.294 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.232 -13.907 10.756 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.352 -14.212 8.495 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.402 -15.414 9.219 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.827 -14.034 6.741 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.930 -15.150 7.522 1.00 0.00 H new ATOM 530 N ILE A 33 -1.900 -11.178 8.329 1.00 0.00 N ATOM 531 CA ILE A 33 -1.171 -9.984 7.935 1.00 0.00 C ATOM 532 C ILE A 33 -2.144 -8.980 7.314 1.00 0.00 C ATOM 533 O ILE A 33 -1.988 -7.772 7.485 1.00 0.00 O ATOM 534 CB ILE A 33 0.002 -10.349 7.023 1.00 0.00 C ATOM 535 CG1 ILE A 33 1.034 -11.196 7.769 1.00 0.00 C ATOM 536 CG2 ILE A 33 0.627 -9.095 6.407 1.00 0.00 C ATOM 537 CD1 ILE A 33 2.156 -11.646 6.831 1.00 0.00 C ATOM 0 H ILE A 33 -1.417 -12.055 8.135 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.728 -9.502 8.807 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.379 -10.956 6.202 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.454 -10.621 8.594 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.547 -12.069 8.204 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.458 -9.382 5.763 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.123 -8.567 5.818 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.991 -8.442 7.201 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.876 -12.246 7.387 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.736 -12.242 6.021 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.657 -10.771 6.416 1.00 0.00 H new ATOM 549 N GLY A 34 -3.127 -9.517 6.606 1.00 0.00 N ATOM 550 CA GLY A 34 -4.125 -8.683 5.958 1.00 0.00 C ATOM 551 C GLY A 34 -5.085 -8.079 6.985 1.00 0.00 C ATOM 552 O GLY A 34 -5.378 -6.885 6.939 1.00 0.00 O ATOM 0 H GLY A 34 -3.254 -10.520 6.467 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.632 -7.885 5.402 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.686 -9.276 5.235 1.00 0.00 H new ATOM 556 N LEU A 35 -5.547 -8.931 7.888 1.00 0.00 N ATOM 557 CA LEU A 35 -6.467 -8.496 8.925 1.00 0.00 C ATOM 558 C LEU A 35 -5.859 -7.309 9.676 1.00 0.00 C ATOM 559 O LEU A 35 -6.512 -6.282 9.854 1.00 0.00 O ATOM 560 CB LEU A 35 -6.846 -9.668 9.832 1.00 0.00 C ATOM 561 CG LEU A 35 -8.313 -10.101 9.791 1.00 0.00 C ATOM 562 CD1 LEU A 35 -8.438 -11.624 9.871 1.00 0.00 C ATOM 563 CD2 LEU A 35 -9.122 -9.402 10.886 1.00 0.00 C ATOM 0 H LEU A 35 -5.301 -9.920 7.923 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.401 -8.150 8.483 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.227 -10.524 9.563 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.595 -9.403 10.859 1.00 0.00 H new ATOM 0 HG LEU A 35 -8.733 -9.793 8.833 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.491 -11.905 9.840 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.917 -12.077 9.028 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.996 -11.977 10.803 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.161 -9.727 10.835 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.710 -9.657 11.862 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -9.072 -8.323 10.742 1.00 0.00 H new ATOM 575 N GLY A 36 -4.616 -7.491 10.096 1.00 0.00 N ATOM 576 CA GLY A 36 -3.913 -6.448 10.824 1.00 0.00 C ATOM 577 C GLY A 36 -3.719 -5.206 9.952 1.00 0.00 C ATOM 578 O GLY A 36 -4.279 -4.148 10.238 1.00 0.00 O ATOM 0 H GLY A 36 -4.078 -8.344 9.946 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.474 -6.183 11.720 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.943 -6.820 11.154 1.00 0.00 H new ATOM 582 N GLY A 37 -2.925 -5.375 8.905 1.00 0.00 N ATOM 583 CA GLY A 37 -2.650 -4.281 7.989 1.00 0.00 C ATOM 584 C GLY A 37 -3.946 -3.599 7.546 1.00 0.00 C ATOM 585 O GLY A 37 -3.929 -2.449 7.110 1.00 0.00 O ATOM 0 H GLY A 37 -2.463 -6.254 8.670 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.998 -3.553 8.472 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.116 -4.658 7.116 1.00 0.00 H new ATOM 589 N CYS A 38 -5.039 -4.337 7.672 1.00 0.00 N ATOM 590 CA CYS A 38 -6.341 -3.818 7.290 1.00 0.00 C ATOM 591 C CYS A 38 -6.799 -2.830 8.365 1.00 0.00 C ATOM 592 O CYS A 38 -6.873 -1.628 8.117 1.00 0.00 O ATOM 593 CB CYS A 38 -7.358 -4.941 7.078 1.00 0.00 C ATOM 594 SG CYS A 38 -9.040 -4.240 6.910 1.00 0.00 S ATOM 0 H CYS A 38 -5.050 -5.291 8.033 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.262 -3.302 6.333 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.102 -5.511 6.185 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.327 -5.635 7.918 1.00 0.00 H new ATOM 0 HG CYS A 38 -9.895 -5.202 6.728 1.00 0.00 H new ATOM 600 N LEU A 39 -7.093 -3.374 9.537 1.00 0.00 N ATOM 601 CA LEU A 39 -7.542 -2.555 10.650 1.00 0.00 C ATOM 602 C LEU A 39 -6.731 -1.258 10.682 1.00 0.00 C ATOM 603 O LEU A 39 -7.274 -0.189 10.959 1.00 0.00 O ATOM 604 CB LEU A 39 -7.483 -3.349 11.957 1.00 0.00 C ATOM 605 CG LEU A 39 -8.832 -3.720 12.577 1.00 0.00 C ATOM 606 CD1 LEU A 39 -9.579 -4.729 11.703 1.00 0.00 C ATOM 607 CD2 LEU A 39 -8.655 -4.225 14.011 1.00 0.00 C ATOM 0 H LEU A 39 -7.029 -4.372 9.740 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.587 -2.275 10.520 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.924 -4.267 11.777 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.917 -2.769 12.686 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.445 -2.820 12.625 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.534 -4.975 12.167 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.755 -4.297 10.718 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.981 -5.635 11.601 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.628 -4.482 14.429 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.016 -5.108 14.009 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.194 -3.445 14.617 1.00 0.00 H new ATOM 619 N VAL A 40 -5.445 -1.394 10.395 1.00 0.00 N ATOM 620 CA VAL A 40 -4.555 -0.245 10.388 1.00 0.00 C ATOM 621 C VAL A 40 -4.947 0.691 9.243 1.00 0.00 C ATOM 622 O VAL A 40 -5.306 1.844 9.475 1.00 0.00 O ATOM 623 CB VAL A 40 -3.100 -0.712 10.307 1.00 0.00 C ATOM 624 CG1 VAL A 40 -2.157 0.470 10.075 1.00 0.00 C ATOM 625 CG2 VAL A 40 -2.704 -1.491 11.563 1.00 0.00 C ATOM 0 H VAL A 40 -4.998 -2.282 10.166 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.651 0.319 11.316 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.011 -1.384 9.454 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.129 0.111 10.021 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.418 0.965 9.140 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.251 1.178 10.899 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.665 -1.812 11.480 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.818 -0.852 12.439 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.346 -2.365 11.666 1.00 0.00 H new ATOM 635 N VAL A 41 -4.864 0.160 8.032 1.00 0.00 N ATOM 636 CA VAL A 41 -5.206 0.933 6.850 1.00 0.00 C ATOM 637 C VAL A 41 -6.565 1.603 7.060 1.00 0.00 C ATOM 638 O VAL A 41 -6.653 2.828 7.130 1.00 0.00 O ATOM 639 CB VAL A 41 -5.165 0.039 5.609 1.00 0.00 C ATOM 640 CG1 VAL A 41 -5.865 0.711 4.426 1.00 0.00 C ATOM 641 CG2 VAL A 41 -3.726 -0.338 5.253 1.00 0.00 C ATOM 0 H VAL A 41 -4.565 -0.797 7.844 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.475 1.725 6.687 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.705 -0.880 5.839 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.822 0.055 3.557 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.906 0.906 4.682 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.366 1.652 4.195 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.725 -0.974 4.367 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.152 0.567 5.051 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.274 -0.876 6.086 1.00 0.00 H new ATOM 651 N ALA A 42 -7.591 0.770 7.154 1.00 0.00 N ATOM 652 CA ALA A 42 -8.942 1.267 7.355 1.00 0.00 C ATOM 653 C ALA A 42 -8.911 2.432 8.346 1.00 0.00 C ATOM 654 O ALA A 42 -9.360 3.532 8.030 1.00 0.00 O ATOM 655 CB ALA A 42 -9.842 0.123 7.827 1.00 0.00 C ATOM 0 H ALA A 42 -7.514 -0.245 7.095 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.356 1.642 6.419 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.855 0.496 7.978 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.854 -0.665 7.074 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.459 -0.277 8.766 1.00 0.00 H new ATOM 661 N ALA A 43 -8.376 2.150 9.525 1.00 0.00 N ATOM 662 CA ALA A 43 -8.281 3.160 10.564 1.00 0.00 C ATOM 663 C ALA A 43 -7.726 4.453 9.963 1.00 0.00 C ATOM 664 O ALA A 43 -8.409 5.476 9.942 1.00 0.00 O ATOM 665 CB ALA A 43 -7.417 2.633 11.712 1.00 0.00 C ATOM 0 H ALA A 43 -8.004 1.236 9.783 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.266 3.383 10.973 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.346 3.391 12.492 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.870 1.731 12.124 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.419 2.401 11.340 1.00 0.00 H new ATOM 671 N TYR A 44 -6.492 4.366 9.489 1.00 0.00 N ATOM 672 CA TYR A 44 -5.837 5.516 8.889 1.00 0.00 C ATOM 673 C TYR A 44 -6.828 6.345 8.070 1.00 0.00 C ATOM 674 O TYR A 44 -6.952 7.551 8.275 1.00 0.00 O ATOM 675 CB TYR A 44 -4.766 4.951 7.953 1.00 0.00 C ATOM 676 CG TYR A 44 -3.351 5.447 8.256 1.00 0.00 C ATOM 677 CD1 TYR A 44 -2.558 4.763 9.155 1.00 0.00 C ATOM 678 CD2 TYR A 44 -2.868 6.578 7.631 1.00 0.00 C ATOM 679 CE1 TYR A 44 -1.226 5.230 9.440 1.00 0.00 C ATOM 680 CE2 TYR A 44 -1.536 7.045 7.916 1.00 0.00 C ATOM 681 CZ TYR A 44 -0.780 6.348 8.806 1.00 0.00 C ATOM 682 OH TYR A 44 0.478 6.789 9.075 1.00 0.00 O ATOM 0 H TYR A 44 -5.928 3.516 9.508 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.419 6.165 9.659 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.780 3.863 8.016 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.020 5.214 6.926 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.936 3.878 9.645 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.489 7.113 6.928 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -0.595 4.704 10.141 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.146 7.929 7.434 1.00 0.00 H new ATOM 0 HH TYR A 44 0.661 7.596 8.550 1.00 0.00 H new ATOM 692 N ARG A 45 -7.508 5.664 7.158 1.00 0.00 N ATOM 693 CA ARG A 45 -8.484 6.323 6.307 1.00 0.00 C ATOM 694 C ARG A 45 -9.551 7.014 7.158 1.00 0.00 C ATOM 695 O ARG A 45 -9.676 8.237 7.130 1.00 0.00 O ATOM 696 CB ARG A 45 -9.160 5.322 5.368 1.00 0.00 C ATOM 697 CG ARG A 45 -8.181 4.819 4.305 1.00 0.00 C ATOM 698 CD ARG A 45 -8.859 4.722 2.937 1.00 0.00 C ATOM 699 NE ARG A 45 -7.984 3.996 1.989 1.00 0.00 N ATOM 700 CZ ARG A 45 -8.284 3.789 0.690 1.00 0.00 C ATOM 701 NH1 ARG A 45 -9.441 4.252 0.171 1.00 0.00 N ATOM 702 NH2 ARG A 45 -7.429 3.127 -0.067 1.00 0.00 N ATOM 0 H ARG A 45 -7.402 4.663 6.990 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.955 7.065 5.709 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.542 4.479 5.944 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.017 5.792 4.885 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.327 5.493 4.244 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.796 3.841 4.594 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.814 4.206 3.031 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.072 5.721 2.556 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.099 3.629 2.340 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.097 4.763 0.762 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.659 4.091 -0.812 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.557 2.780 0.332 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.641 2.962 -1.051 1.00 0.00 H new ATOM 716 N ILE A 46 -10.293 6.201 7.895 1.00 0.00 N ATOM 717 CA ILE A 46 -11.345 6.718 8.754 1.00 0.00 C ATOM 718 C ILE A 46 -10.839 7.969 9.476 1.00 0.00 C ATOM 719 O ILE A 46 -11.349 9.066 9.257 1.00 0.00 O ATOM 720 CB ILE A 46 -11.853 5.626 9.697 1.00 0.00 C ATOM 721 CG1 ILE A 46 -12.441 4.453 8.911 1.00 0.00 C ATOM 722 CG2 ILE A 46 -12.850 6.196 10.708 1.00 0.00 C ATOM 723 CD1 ILE A 46 -12.272 3.140 9.678 1.00 0.00 C ATOM 0 H ILE A 46 -10.187 5.187 7.915 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.208 7.019 8.160 1.00 0.00 H new ATOM 0 HB ILE A 46 -11.005 5.241 10.263 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -13.499 4.633 8.719 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -11.950 4.378 7.941 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -13.196 5.399 11.367 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.364 6.971 11.300 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -13.701 6.624 10.178 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -12.698 2.322 9.097 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.212 2.951 9.847 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -12.785 3.210 10.637 1.00 0.00 H new ATOM 735 N TYR A 47 -9.841 7.761 10.323 1.00 0.00 N ATOM 736 CA TYR A 47 -9.260 8.857 11.079 1.00 0.00 C ATOM 737 C TYR A 47 -9.107 10.105 10.206 1.00 0.00 C ATOM 738 O TYR A 47 -9.471 11.204 10.620 1.00 0.00 O ATOM 739 CB TYR A 47 -7.873 8.381 11.514 1.00 0.00 C ATOM 740 CG TYR A 47 -7.808 7.896 12.964 1.00 0.00 C ATOM 741 CD1 TYR A 47 -8.551 6.802 13.359 1.00 0.00 C ATOM 742 CD2 TYR A 47 -7.007 8.552 13.876 1.00 0.00 C ATOM 743 CE1 TYR A 47 -8.490 6.345 14.723 1.00 0.00 C ATOM 744 CE2 TYR A 47 -6.945 8.095 15.240 1.00 0.00 C ATOM 745 CZ TYR A 47 -7.690 7.015 15.596 1.00 0.00 C ATOM 746 OH TYR A 47 -7.632 6.583 16.885 1.00 0.00 O ATOM 0 H TYR A 47 -9.420 6.849 10.502 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.896 9.119 11.924 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.555 7.572 10.856 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.162 9.197 11.382 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.178 6.289 12.645 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.426 9.408 13.567 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -9.066 5.490 15.046 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.321 8.599 15.964 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.021 7.155 17.394 1.00 0.00 H new ATOM 756 N ARG A 48 -8.569 9.891 9.014 1.00 0.00 N ATOM 757 CA ARG A 48 -8.364 10.985 8.079 1.00 0.00 C ATOM 758 C ARG A 48 -9.680 11.723 7.828 1.00 0.00 C ATOM 759 O ARG A 48 -9.741 12.947 7.935 1.00 0.00 O ATOM 760 CB ARG A 48 -7.811 10.474 6.747 1.00 0.00 C ATOM 761 CG ARG A 48 -6.468 11.131 6.423 1.00 0.00 C ATOM 762 CD ARG A 48 -6.645 12.274 5.421 1.00 0.00 C ATOM 763 NE ARG A 48 -5.332 12.662 4.859 1.00 0.00 N ATOM 764 CZ ARG A 48 -4.484 13.533 5.446 1.00 0.00 C ATOM 765 NH1 ARG A 48 -4.806 14.116 6.621 1.00 0.00 N ATOM 766 NH2 ARG A 48 -3.336 13.807 4.855 1.00 0.00 N ATOM 0 H ARG A 48 -8.269 8.977 8.674 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.640 11.669 8.522 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.689 9.392 6.791 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.524 10.683 5.949 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.015 11.512 7.338 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.784 10.387 6.015 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -7.316 11.965 4.619 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.107 13.131 5.912 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.050 12.245 3.972 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.695 13.899 7.071 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.160 14.773 7.058 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.100 13.363 3.968 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -2.684 14.463 5.286 1.00 0.00 H new ATOM 780 N LEU A 49 -10.703 10.947 7.499 1.00 0.00 N ATOM 781 CA LEU A 49 -12.015 11.512 7.231 1.00 0.00 C ATOM 782 C LEU A 49 -12.499 12.273 8.467 1.00 0.00 C ATOM 783 O LEU A 49 -12.902 13.431 8.369 1.00 0.00 O ATOM 784 CB LEU A 49 -12.981 10.422 6.762 1.00 0.00 C ATOM 785 CG LEU A 49 -13.958 10.824 5.654 1.00 0.00 C ATOM 786 CD1 LEU A 49 -14.568 9.589 4.988 1.00 0.00 C ATOM 787 CD2 LEU A 49 -15.030 11.776 6.187 1.00 0.00 C ATOM 0 H LEU A 49 -10.650 9.932 7.412 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.961 12.231 6.414 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -12.396 9.571 6.412 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -13.558 10.081 7.622 1.00 0.00 H new ATOM 0 HG LEU A 49 -13.402 11.363 4.887 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -15.258 9.902 4.205 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -13.775 8.982 4.552 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -15.106 9.002 5.733 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.711 12.046 5.380 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -15.589 11.285 6.984 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -14.555 12.676 6.578 1.00 0.00 H new ATOM 799 N ARG A 50 -12.443 11.591 9.602 1.00 0.00 N ATOM 800 CA ARG A 50 -12.871 12.189 10.855 1.00 0.00 C ATOM 801 C ARG A 50 -12.368 13.630 10.955 1.00 0.00 C ATOM 802 O ARG A 50 -13.154 14.573 10.874 1.00 0.00 O ATOM 803 CB ARG A 50 -12.351 11.390 12.052 1.00 0.00 C ATOM 804 CG ARG A 50 -13.487 10.629 12.739 1.00 0.00 C ATOM 805 CD ARG A 50 -13.784 9.315 12.012 1.00 0.00 C ATOM 806 NE ARG A 50 -15.235 9.205 11.740 1.00 0.00 N ATOM 807 CZ ARG A 50 -16.178 9.087 12.698 1.00 0.00 C ATOM 808 NH1 ARG A 50 -15.830 9.063 14.002 1.00 0.00 N ATOM 809 NH2 ARG A 50 -17.445 8.995 12.341 1.00 0.00 N ATOM 0 H ARG A 50 -12.108 10.631 9.680 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.961 12.180 10.872 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -11.586 10.687 11.720 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.877 12.064 12.765 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.217 10.423 13.775 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -14.384 11.248 12.760 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -13.226 9.273 11.077 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.454 8.471 12.618 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.541 9.219 10.767 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.848 9.134 14.269 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -16.549 8.974 14.720 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -17.699 9.014 11.353 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -18.170 8.905 13.053 1.00 0.00 H new ATOM 1045 N ARG A 65 5.278 13.740 6.409 1.00 0.00 N ATOM 1046 CA ARG A 65 6.014 12.590 5.912 1.00 0.00 C ATOM 1047 C ARG A 65 5.226 11.304 6.168 1.00 0.00 C ATOM 1048 O ARG A 65 4.976 10.530 5.245 1.00 0.00 O ATOM 1049 CB ARG A 65 7.385 12.482 6.581 1.00 0.00 C ATOM 1050 CG ARG A 65 8.462 13.169 5.740 1.00 0.00 C ATOM 1051 CD ARG A 65 9.629 12.220 5.461 1.00 0.00 C ATOM 1052 NE ARG A 65 10.908 12.964 5.498 1.00 0.00 N ATOM 1053 CZ ARG A 65 12.125 12.380 5.493 1.00 0.00 C ATOM 1054 NH1 ARG A 65 12.239 11.035 5.452 1.00 0.00 N ATOM 1055 NH2 ARG A 65 13.201 13.143 5.528 1.00 0.00 N ATOM 0 HA ARG A 65 6.156 12.726 4.840 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.347 12.936 7.571 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.643 11.432 6.722 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.031 13.508 4.798 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.826 14.055 6.261 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.643 11.420 6.201 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.501 11.750 4.486 1.00 0.00 H new ATOM 0 HE ARG A 65 10.867 13.983 5.529 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.402 10.453 5.425 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.162 10.601 5.448 1.00 0.00 H new ATOM 0 HH21 ARG A 65 13.106 14.158 5.558 1.00 0.00 H new ATOM 0 HH22 ARG A 65 14.128 12.718 5.525 1.00 0.00 H new ATOM 1069 N VAL A 66 4.856 11.115 7.426 1.00 0.00 N ATOM 1070 CA VAL A 66 4.102 9.936 7.815 1.00 0.00 C ATOM 1071 C VAL A 66 2.956 9.719 6.825 1.00 0.00 C ATOM 1072 O VAL A 66 2.728 8.599 6.370 1.00 0.00 O ATOM 1073 CB VAL A 66 3.623 10.075 9.262 1.00 0.00 C ATOM 1074 CG1 VAL A 66 4.801 10.014 10.237 1.00 0.00 C ATOM 1075 CG2 VAL A 66 2.819 11.362 9.452 1.00 0.00 C ATOM 0 H VAL A 66 5.065 11.759 8.189 1.00 0.00 H new ATOM 0 HA VAL A 66 4.735 9.049 7.779 1.00 0.00 H new ATOM 0 HB VAL A 66 2.964 9.234 9.480 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.434 10.115 11.258 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.314 9.058 10.129 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.496 10.825 10.019 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.491 11.436 10.489 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.444 12.221 9.207 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.949 11.348 8.796 1.00 0.00 H new ATOM 1085 N ALA A 67 2.265 10.808 6.520 1.00 0.00 N ATOM 1086 CA ALA A 67 1.149 10.751 5.592 1.00 0.00 C ATOM 1087 C ALA A 67 1.656 10.311 4.217 1.00 0.00 C ATOM 1088 O ALA A 67 1.214 9.294 3.684 1.00 0.00 O ATOM 1089 CB ALA A 67 0.451 12.112 5.548 1.00 0.00 C ATOM 0 H ALA A 67 2.457 11.735 6.900 1.00 0.00 H new ATOM 0 HA ALA A 67 0.413 10.018 5.922 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.386 12.069 4.852 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.083 12.365 6.543 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.158 12.873 5.219 1.00 0.00 H new ATOM 1095 N ALA A 68 2.578 11.099 3.682 1.00 0.00 N ATOM 1096 CA ALA A 68 3.150 10.804 2.380 1.00 0.00 C ATOM 1097 C ALA A 68 3.406 9.300 2.269 1.00 0.00 C ATOM 1098 O ALA A 68 2.930 8.652 1.337 1.00 0.00 O ATOM 1099 CB ALA A 68 4.424 11.628 2.183 1.00 0.00 C ATOM 0 H ALA A 68 2.943 11.941 4.127 1.00 0.00 H new ATOM 0 HA ALA A 68 2.457 11.080 1.585 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.853 11.406 1.206 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.183 12.690 2.241 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.144 11.376 2.961 1.00 0.00 H new ATOM 1105 N GLN A 69 4.157 8.787 3.232 1.00 0.00 N ATOM 1106 CA GLN A 69 4.481 7.371 3.254 1.00 0.00 C ATOM 1107 C GLN A 69 3.203 6.532 3.198 1.00 0.00 C ATOM 1108 O GLN A 69 2.974 5.807 2.231 1.00 0.00 O ATOM 1109 CB GLN A 69 5.315 7.018 4.488 1.00 0.00 C ATOM 1110 CG GLN A 69 6.390 5.986 4.147 1.00 0.00 C ATOM 1111 CD GLN A 69 7.672 6.668 3.664 1.00 0.00 C ATOM 1112 OE1 GLN A 69 7.684 7.410 2.696 1.00 0.00 O ATOM 1113 NE2 GLN A 69 8.747 6.376 4.391 1.00 0.00 N ATOM 0 H GLN A 69 4.551 9.327 4.003 1.00 0.00 H new ATOM 0 HA GLN A 69 5.081 7.143 2.373 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.784 7.919 4.884 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.665 6.626 5.270 1.00 0.00 H new ATOM 0 HG2 GLN A 69 6.606 5.377 5.025 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.020 5.311 3.375 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.667 5.747 5.190 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.651 6.781 4.150 1.00 0.00 H new ATOM 1122 N ALA A 70 2.404 6.658 4.247 1.00 0.00 N ATOM 1123 CA ALA A 70 1.154 5.921 4.330 1.00 0.00 C ATOM 1124 C ALA A 70 0.455 5.959 2.970 1.00 0.00 C ATOM 1125 O ALA A 70 -0.246 5.017 2.602 1.00 0.00 O ATOM 1126 CB ALA A 70 0.289 6.507 5.447 1.00 0.00 C ATOM 0 H ALA A 70 2.598 7.260 5.047 1.00 0.00 H new ATOM 0 HA ALA A 70 1.340 4.876 4.577 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.648 5.954 5.509 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.819 6.430 6.396 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.079 7.555 5.233 1.00 0.00 H new ATOM 1132 N CYS A 71 0.669 7.056 2.260 1.00 0.00 N ATOM 1133 CA CYS A 71 0.068 7.229 0.948 1.00 0.00 C ATOM 1134 C CYS A 71 0.768 6.283 -0.030 1.00 0.00 C ATOM 1135 O CYS A 71 0.118 5.472 -0.688 1.00 0.00 O ATOM 1136 CB CYS A 71 0.135 8.684 0.482 1.00 0.00 C ATOM 1137 SG CYS A 71 -1.495 9.212 -0.161 1.00 0.00 S ATOM 0 H CYS A 71 1.251 7.835 2.568 1.00 0.00 H new ATOM 0 HA CYS A 71 -0.992 6.981 0.996 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.434 9.326 1.311 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.893 8.791 -0.294 1.00 0.00 H new ATOM 0 HG CYS A 71 -1.427 10.450 -0.552 1.00 0.00 H new ATOM 1143 N ALA A 72 2.084 6.419 -0.094 1.00 0.00 N ATOM 1144 CA ALA A 72 2.880 5.586 -0.980 1.00 0.00 C ATOM 1145 C ALA A 72 2.638 4.113 -0.643 1.00 0.00 C ATOM 1146 O ALA A 72 2.034 3.384 -1.428 1.00 0.00 O ATOM 1147 CB ALA A 72 4.354 5.977 -0.861 1.00 0.00 C ATOM 0 H ALA A 72 2.619 7.093 0.453 1.00 0.00 H new ATOM 0 HA ALA A 72 2.585 5.739 -2.018 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.951 5.352 -1.525 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.476 7.024 -1.140 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.686 5.834 0.167 1.00 0.00 H new ATOM 1153 N VAL A 73 3.123 3.720 0.526 1.00 0.00 N ATOM 1154 CA VAL A 73 2.967 2.347 0.977 1.00 0.00 C ATOM 1155 C VAL A 73 1.503 1.930 0.831 1.00 0.00 C ATOM 1156 O VAL A 73 1.206 0.879 0.265 1.00 0.00 O ATOM 1157 CB VAL A 73 3.491 2.204 2.407 1.00 0.00 C ATOM 1158 CG1 VAL A 73 3.172 0.818 2.971 1.00 0.00 C ATOM 1159 CG2 VAL A 73 4.992 2.491 2.473 1.00 0.00 C ATOM 0 H VAL A 73 3.624 4.328 1.174 1.00 0.00 H new ATOM 0 HA VAL A 73 3.559 1.672 0.359 1.00 0.00 H new ATOM 0 HB VAL A 73 2.982 2.943 3.026 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.555 0.742 3.989 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.092 0.668 2.978 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.641 0.055 2.349 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.338 2.382 3.501 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.525 1.787 1.834 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.183 3.508 2.131 1.00 0.00 H new ATOM 1169 N GLY A 74 0.625 2.776 1.352 1.00 0.00 N ATOM 1170 CA GLY A 74 -0.801 2.508 1.288 1.00 0.00 C ATOM 1171 C GLY A 74 -1.230 2.163 -0.140 1.00 0.00 C ATOM 1172 O GLY A 74 -2.018 1.242 -0.350 1.00 0.00 O ATOM 0 H GLY A 74 0.875 3.647 1.820 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.050 1.683 1.956 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.355 3.379 1.637 1.00 0.00 H new ATOM 1176 N ALA A 75 -0.694 2.922 -1.084 1.00 0.00 N ATOM 1177 CA ALA A 75 -1.011 2.708 -2.486 1.00 0.00 C ATOM 1178 C ALA A 75 -0.462 1.350 -2.928 1.00 0.00 C ATOM 1179 O ALA A 75 -1.227 0.420 -3.181 1.00 0.00 O ATOM 1180 CB ALA A 75 -0.450 3.862 -3.319 1.00 0.00 C ATOM 0 H ALA A 75 -0.042 3.686 -0.906 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.090 2.692 -2.636 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.688 3.701 -4.370 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.894 4.800 -2.986 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.632 3.908 -3.195 1.00 0.00 H new ATOM 1186 N ILE A 76 0.859 1.278 -3.006 1.00 0.00 N ATOM 1187 CA ILE A 76 1.519 0.049 -3.412 1.00 0.00 C ATOM 1188 C ILE A 76 0.835 -1.140 -2.734 1.00 0.00 C ATOM 1189 O ILE A 76 0.178 -1.943 -3.395 1.00 0.00 O ATOM 1190 CB ILE A 76 3.022 0.132 -3.139 1.00 0.00 C ATOM 1191 CG1 ILE A 76 3.647 1.320 -3.873 1.00 0.00 C ATOM 1192 CG2 ILE A 76 3.716 -1.186 -3.486 1.00 0.00 C ATOM 1193 CD1 ILE A 76 3.261 1.316 -5.353 1.00 0.00 C ATOM 0 H ILE A 76 1.490 2.051 -2.795 1.00 0.00 H new ATOM 0 HA ILE A 76 1.422 -0.098 -4.488 1.00 0.00 H new ATOM 0 HB ILE A 76 3.167 0.300 -2.072 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.319 2.251 -3.411 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.732 1.281 -3.777 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.783 -1.100 -3.283 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.295 -1.989 -2.881 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.565 -1.410 -4.542 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.719 2.171 -5.851 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.612 0.395 -5.818 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.177 1.379 -5.446 1.00 0.00 H new ATOM 1205 N MET A 77 1.013 -1.216 -1.423 1.00 0.00 N ATOM 1206 CA MET A 77 0.422 -2.293 -0.649 1.00 0.00 C ATOM 1207 C MET A 77 -1.011 -2.575 -1.105 1.00 0.00 C ATOM 1208 O MET A 77 -1.303 -3.656 -1.612 1.00 0.00 O ATOM 1209 CB MET A 77 0.421 -1.915 0.834 1.00 0.00 C ATOM 1210 CG MET A 77 0.165 -3.142 1.712 1.00 0.00 C ATOM 1211 SD MET A 77 1.713 -3.788 2.323 1.00 0.00 S ATOM 1212 CE MET A 77 1.611 -5.463 1.715 1.00 0.00 C ATOM 0 H MET A 77 1.558 -0.549 -0.878 1.00 0.00 H new ATOM 0 HA MET A 77 1.016 -3.194 -0.803 1.00 0.00 H new ATOM 0 HB2 MET A 77 1.378 -1.467 1.099 1.00 0.00 H new ATOM 0 HB3 MET A 77 -0.346 -1.163 1.021 1.00 0.00 H new ATOM 0 HG2 MET A 77 -0.482 -2.873 2.547 1.00 0.00 H new ATOM 0 HG3 MET A 77 -0.357 -3.908 1.138 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.505 -6.012 2.010 1.00 0.00 H new ATOM 0 HE2 MET A 77 0.731 -5.950 2.136 1.00 0.00 H new ATOM 0 HE3 MET A 77 1.534 -5.451 0.628 1.00 0.00 H new ATOM 1222 N LEU A 78 -1.866 -1.582 -0.909 1.00 0.00 N ATOM 1223 CA LEU A 78 -3.261 -1.709 -1.294 1.00 0.00 C ATOM 1224 C LEU A 78 -3.350 -2.428 -2.642 1.00 0.00 C ATOM 1225 O LEU A 78 -3.857 -3.546 -2.720 1.00 0.00 O ATOM 1226 CB LEU A 78 -3.948 -0.342 -1.280 1.00 0.00 C ATOM 1227 CG LEU A 78 -5.417 -0.325 -1.706 1.00 0.00 C ATOM 1228 CD1 LEU A 78 -6.336 -0.608 -0.516 1.00 0.00 C ATOM 1229 CD2 LEU A 78 -5.771 0.991 -2.402 1.00 0.00 C ATOM 0 H LEU A 78 -1.619 -0.686 -0.489 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.802 -2.319 -0.570 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.878 0.067 -0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.392 0.328 -1.936 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.572 -1.125 -2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.375 -0.590 -0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.104 -1.589 -0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.185 0.153 0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.821 0.977 -2.695 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.596 1.822 -1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.149 1.112 -3.289 1.00 0.00 H new ATOM 1241 N GLY A 79 -2.850 -1.757 -3.669 1.00 0.00 N ATOM 1242 CA GLY A 79 -2.867 -2.318 -5.009 1.00 0.00 C ATOM 1243 C GLY A 79 -2.595 -3.823 -4.977 1.00 0.00 C ATOM 1244 O GLY A 79 -3.321 -4.602 -5.593 1.00 0.00 O ATOM 0 H GLY A 79 -2.431 -0.830 -3.600 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.835 -2.130 -5.474 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.116 -1.822 -5.624 1.00 0.00 H new ATOM 1248 N ALA A 80 -1.548 -4.188 -4.251 1.00 0.00 N ATOM 1249 CA ALA A 80 -1.172 -5.586 -4.131 1.00 0.00 C ATOM 1250 C ALA A 80 -2.322 -6.366 -3.491 1.00 0.00 C ATOM 1251 O ALA A 80 -2.822 -7.329 -4.071 1.00 0.00 O ATOM 1252 CB ALA A 80 0.126 -5.698 -3.328 1.00 0.00 C ATOM 0 H ALA A 80 -0.949 -3.540 -3.740 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.987 -6.019 -5.114 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.409 -6.747 -3.238 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.918 -5.151 -3.839 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.023 -5.276 -2.334 1.00 0.00 H new ATOM 1258 N VAL A 81 -2.709 -5.921 -2.304 1.00 0.00 N ATOM 1259 CA VAL A 81 -3.791 -6.565 -1.580 1.00 0.00 C ATOM 1260 C VAL A 81 -4.979 -6.770 -2.522 1.00 0.00 C ATOM 1261 O VAL A 81 -5.306 -7.902 -2.877 1.00 0.00 O ATOM 1262 CB VAL A 81 -4.149 -5.747 -0.337 1.00 0.00 C ATOM 1263 CG1 VAL A 81 -5.403 -6.301 0.342 1.00 0.00 C ATOM 1264 CG2 VAL A 81 -2.973 -5.695 0.641 1.00 0.00 C ATOM 0 H VAL A 81 -2.292 -5.122 -1.826 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.481 -7.549 -1.228 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.365 -4.728 -0.657 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.635 -5.702 1.222 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.241 -6.263 -0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.228 -7.334 0.642 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.253 -5.108 1.516 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.713 -6.707 0.951 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.115 -5.233 0.154 1.00 0.00 H new ATOM 1274 N TYR A 82 -5.593 -5.658 -2.900 1.00 0.00 N ATOM 1275 CA TYR A 82 -6.737 -5.702 -3.794 1.00 0.00 C ATOM 1276 C TYR A 82 -6.558 -6.783 -4.862 1.00 0.00 C ATOM 1277 O TYR A 82 -7.423 -7.640 -5.035 1.00 0.00 O ATOM 1278 CB TYR A 82 -6.792 -4.333 -4.476 1.00 0.00 C ATOM 1279 CG TYR A 82 -8.209 -3.861 -4.808 1.00 0.00 C ATOM 1280 CD1 TYR A 82 -9.185 -3.864 -3.832 1.00 0.00 C ATOM 1281 CD2 TYR A 82 -8.511 -3.430 -6.084 1.00 0.00 C ATOM 1282 CE1 TYR A 82 -10.518 -3.419 -4.145 1.00 0.00 C ATOM 1283 CE2 TYR A 82 -9.844 -2.985 -6.397 1.00 0.00 C ATOM 1284 CZ TYR A 82 -10.782 -3.002 -5.412 1.00 0.00 C ATOM 1285 OH TYR A 82 -12.041 -2.581 -5.707 1.00 0.00 O ATOM 0 H TYR A 82 -5.319 -4.721 -2.603 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.648 -5.931 -3.240 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.317 -3.596 -3.828 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.208 -4.373 -5.396 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.949 -4.200 -2.833 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.747 -3.427 -6.848 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -11.291 -3.416 -3.391 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.094 -2.645 -7.391 1.00 0.00 H new ATOM 0 HH TYR A 82 -12.084 -2.311 -6.648 1.00 0.00 H new ATOM 1295 N THR A 83 -5.428 -6.708 -5.551 1.00 0.00 N ATOM 1296 CA THR A 83 -5.124 -7.670 -6.597 1.00 0.00 C ATOM 1297 C THR A 83 -5.306 -9.097 -6.078 1.00 0.00 C ATOM 1298 O THR A 83 -5.909 -9.933 -6.749 1.00 0.00 O ATOM 1299 CB THR A 83 -3.710 -7.384 -7.105 1.00 0.00 C ATOM 1300 OG1 THR A 83 -3.867 -6.245 -7.947 1.00 0.00 O ATOM 1301 CG2 THR A 83 -3.194 -8.474 -8.046 1.00 0.00 C ATOM 0 H THR A 83 -4.712 -5.996 -5.405 1.00 0.00 H new ATOM 0 HA THR A 83 -5.813 -7.573 -7.436 1.00 0.00 H new ATOM 0 HB THR A 83 -3.033 -7.287 -6.256 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.753 -5.428 -7.417 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.187 -8.222 -8.377 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.175 -9.429 -7.521 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.852 -8.549 -8.911 1.00 0.00 H new ATOM 1309 N MET A 84 -4.773 -9.333 -4.888 1.00 0.00 N ATOM 1310 CA MET A 84 -4.869 -10.645 -4.272 1.00 0.00 C ATOM 1311 C MET A 84 -6.298 -10.929 -3.806 1.00 0.00 C ATOM 1312 O MET A 84 -6.985 -11.776 -4.377 1.00 0.00 O ATOM 1313 CB MET A 84 -3.918 -10.718 -3.075 1.00 0.00 C ATOM 1314 CG MET A 84 -2.529 -11.194 -3.507 1.00 0.00 C ATOM 1315 SD MET A 84 -1.315 -10.717 -2.289 1.00 0.00 S ATOM 1316 CE MET A 84 0.022 -10.220 -3.362 1.00 0.00 C ATOM 0 H MET A 84 -4.273 -8.637 -4.334 1.00 0.00 H new ATOM 0 HA MET A 84 -4.593 -11.395 -5.014 1.00 0.00 H new ATOM 0 HB2 MET A 84 -3.841 -9.737 -2.607 1.00 0.00 H new ATOM 0 HB3 MET A 84 -4.323 -11.398 -2.325 1.00 0.00 H new ATOM 0 HG2 MET A 84 -2.528 -12.277 -3.629 1.00 0.00 H new ATOM 0 HG3 MET A 84 -2.273 -10.764 -4.475 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.869 -9.890 -2.760 1.00 0.00 H new ATOM 0 HE2 MET A 84 0.324 -11.064 -3.982 1.00 0.00 H new ATOM 0 HE3 MET A 84 -0.309 -9.401 -4.001 1.00 0.00 H new ATOM 1326 N TYR A 85 -6.705 -10.205 -2.774 1.00 0.00 N ATOM 1327 CA TYR A 85 -8.041 -10.369 -2.225 1.00 0.00 C ATOM 1328 C TYR A 85 -9.063 -10.617 -3.335 1.00 0.00 C ATOM 1329 O TYR A 85 -9.994 -11.403 -3.163 1.00 0.00 O ATOM 1330 CB TYR A 85 -8.374 -9.049 -1.527 1.00 0.00 C ATOM 1331 CG TYR A 85 -9.321 -9.197 -0.334 1.00 0.00 C ATOM 1332 CD1 TYR A 85 -8.983 -10.027 0.715 1.00 0.00 C ATOM 1333 CD2 TYR A 85 -10.513 -8.501 -0.308 1.00 0.00 C ATOM 1334 CE1 TYR A 85 -9.875 -10.167 1.838 1.00 0.00 C ATOM 1335 CE2 TYR A 85 -11.404 -8.641 0.814 1.00 0.00 C ATOM 1336 CZ TYR A 85 -11.041 -9.467 1.832 1.00 0.00 C ATOM 1337 OH TYR A 85 -11.882 -9.599 2.892 1.00 0.00 O ATOM 0 H TYR A 85 -6.134 -9.503 -2.303 1.00 0.00 H new ATOM 0 HA TYR A 85 -8.076 -11.221 -1.547 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.448 -8.586 -1.187 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -8.823 -8.370 -2.252 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -8.050 -10.571 0.694 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -10.777 -7.851 -1.129 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.623 -10.813 2.666 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -12.340 -8.102 0.847 1.00 0.00 H new ATOM 0 HH TYR A 85 -12.675 -9.040 2.752 1.00 0.00 H new ATOM 1347 N SER A 86 -8.856 -9.932 -4.451 1.00 0.00 N ATOM 1348 CA SER A 86 -9.748 -10.069 -5.589 1.00 0.00 C ATOM 1349 C SER A 86 -9.442 -11.365 -6.341 1.00 0.00 C ATOM 1350 O SER A 86 -10.347 -12.147 -6.632 1.00 0.00 O ATOM 1351 CB SER A 86 -9.628 -8.868 -6.530 1.00 0.00 C ATOM 1352 OG SER A 86 -10.758 -8.749 -7.390 1.00 0.00 O ATOM 0 H SER A 86 -8.083 -9.281 -4.591 1.00 0.00 H new ATOM 0 HA SER A 86 -10.772 -10.105 -5.218 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.522 -7.956 -5.942 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.724 -8.967 -7.131 1.00 0.00 H new ATOM 0 HG SER A 86 -10.644 -7.970 -7.974 1.00 0.00 H new ATOM 1358 N ASP A 87 -8.164 -11.554 -6.635 1.00 0.00 N ATOM 1359 CA ASP A 87 -7.727 -12.743 -7.348 1.00 0.00 C ATOM 1360 C ASP A 87 -8.310 -13.983 -6.667 1.00 0.00 C ATOM 1361 O ASP A 87 -8.505 -15.014 -7.310 1.00 0.00 O ATOM 1362 CB ASP A 87 -6.203 -12.867 -7.330 1.00 0.00 C ATOM 1363 CG ASP A 87 -5.523 -12.682 -8.688 1.00 0.00 C ATOM 1364 OD1 ASP A 87 -5.800 -13.587 -9.564 1.00 0.00 O ATOM 1365 OD2 ASP A 87 -4.767 -11.721 -8.899 1.00 0.00 O ATOM 0 H ASP A 87 -7.417 -10.904 -6.392 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.070 -12.663 -8.380 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.802 -12.129 -6.636 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.938 -13.849 -6.939 1.00 0.00 H new ATOM 1370 N TYR A 88 -8.573 -13.842 -5.376 1.00 0.00 N ATOM 1371 CA TYR A 88 -9.130 -14.939 -4.602 1.00 0.00 C ATOM 1372 C TYR A 88 -10.143 -15.734 -5.428 1.00 0.00 C ATOM 1373 O TYR A 88 -10.191 -16.960 -5.345 1.00 0.00 O ATOM 1374 CB TYR A 88 -9.849 -14.294 -3.416 1.00 0.00 C ATOM 1375 CG TYR A 88 -10.449 -15.300 -2.431 1.00 0.00 C ATOM 1376 CD1 TYR A 88 -9.657 -16.292 -1.889 1.00 0.00 C ATOM 1377 CD2 TYR A 88 -11.782 -15.215 -2.085 1.00 0.00 C ATOM 1378 CE1 TYR A 88 -10.222 -17.238 -0.962 1.00 0.00 C ATOM 1379 CE2 TYR A 88 -12.347 -16.161 -1.158 1.00 0.00 C ATOM 1380 CZ TYR A 88 -11.539 -17.126 -0.642 1.00 0.00 C ATOM 1381 OH TYR A 88 -12.072 -18.020 0.233 1.00 0.00 O ATOM 0 H TYR A 88 -8.411 -12.985 -4.847 1.00 0.00 H new ATOM 0 HA TYR A 88 -8.345 -15.628 -4.291 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.146 -13.654 -2.883 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -10.644 -13.651 -3.792 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -8.614 -16.359 -2.160 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -12.402 -14.439 -2.509 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -9.613 -18.019 -0.531 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -13.389 -16.106 -0.879 1.00 0.00 H new ATOM 0 HH TYR A 88 -13.021 -17.818 0.369 1.00 0.00 H new ATOM 1391 N VAL A 89 -10.929 -15.003 -6.205 1.00 0.00 N ATOM 1392 CA VAL A 89 -11.938 -15.624 -7.045 1.00 0.00 C ATOM 1393 C VAL A 89 -11.281 -16.696 -7.916 1.00 0.00 C ATOM 1394 O VAL A 89 -10.353 -16.406 -8.669 1.00 0.00 O ATOM 1395 CB VAL A 89 -12.670 -14.557 -7.860 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -13.691 -15.193 -8.806 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -13.338 -13.529 -6.944 1.00 0.00 C ATOM 0 H VAL A 89 -10.887 -13.986 -6.270 1.00 0.00 H new ATOM 0 HA VAL A 89 -12.692 -16.120 -6.433 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.931 -14.035 -8.467 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -14.197 -14.412 -9.373 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -13.180 -15.867 -9.493 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -14.424 -15.753 -8.226 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -13.851 -12.782 -7.549 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -14.059 -14.031 -6.299 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -12.580 -13.041 -6.331 1.00 0.00 H new