USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=14 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= -0.478 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+ 174:sc= 0 (180deg=-0.0305) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -1.12 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 30:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.31) 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 80:sc= 0.0864 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 6.277 -1.422 -9.644 1.00 0.00 N ATOM 245 CA CYS A 16 5.063 -1.857 -8.973 1.00 0.00 C ATOM 246 C CYS A 16 5.423 -3.003 -8.025 1.00 0.00 C ATOM 247 O CYS A 16 5.009 -3.008 -6.867 1.00 0.00 O ATOM 248 CB CYS A 16 3.978 -2.262 -9.973 1.00 0.00 C ATOM 249 SG CYS A 16 4.648 -3.478 -11.165 1.00 0.00 S ATOM 0 HA CYS A 16 4.645 -1.030 -8.399 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.126 -2.690 -9.444 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.614 -1.382 -10.504 1.00 0.00 H new ATOM 0 HG CYS A 16 3.718 -3.816 -12.008 1.00 0.00 H new ATOM 255 N VAL A 17 6.189 -3.946 -8.553 1.00 0.00 N ATOM 256 CA VAL A 17 6.609 -5.095 -7.768 1.00 0.00 C ATOM 257 C VAL A 17 7.907 -5.657 -8.350 1.00 0.00 C ATOM 258 O VAL A 17 8.965 -5.553 -7.731 1.00 0.00 O ATOM 259 CB VAL A 17 5.482 -6.129 -7.711 1.00 0.00 C ATOM 260 CG1 VAL A 17 5.946 -7.406 -7.007 1.00 0.00 C ATOM 261 CG2 VAL A 17 4.240 -5.549 -7.032 1.00 0.00 C ATOM 0 H VAL A 17 6.530 -3.938 -9.514 1.00 0.00 H new ATOM 0 HA VAL A 17 6.815 -4.801 -6.739 1.00 0.00 H new ATOM 0 HB VAL A 17 5.213 -6.389 -8.735 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.127 -8.125 -6.980 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.788 -7.836 -7.550 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.255 -7.169 -5.989 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.454 -6.304 -7.005 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.489 -5.247 -6.015 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.890 -4.682 -7.592 1.00 0.00 H new ATOM 271 N SER A 18 7.785 -6.241 -9.533 1.00 0.00 N ATOM 272 CA SER A 18 8.936 -6.820 -10.204 1.00 0.00 C ATOM 273 C SER A 18 9.530 -7.942 -9.351 1.00 0.00 C ATOM 274 O SER A 18 9.132 -8.130 -8.202 1.00 0.00 O ATOM 275 CB SER A 18 9.996 -5.756 -10.496 1.00 0.00 C ATOM 276 OG SER A 18 9.692 -5.007 -11.669 1.00 0.00 O ATOM 0 H SER A 18 6.906 -6.326 -10.044 1.00 0.00 H new ATOM 0 HA SER A 18 8.604 -7.234 -11.156 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.075 -5.080 -9.645 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.968 -6.235 -10.614 1.00 0.00 H new ATOM 0 HG SER A 18 10.391 -4.337 -11.820 1.00 0.00 H new ATOM 282 N GLU A 19 10.473 -8.659 -9.946 1.00 0.00 N ATOM 283 CA GLU A 19 11.126 -9.757 -9.254 1.00 0.00 C ATOM 284 C GLU A 19 11.663 -9.288 -7.900 1.00 0.00 C ATOM 285 O GLU A 19 11.866 -10.096 -6.995 1.00 0.00 O ATOM 286 CB GLU A 19 12.244 -10.356 -10.110 1.00 0.00 C ATOM 287 CG GLU A 19 11.695 -11.417 -11.065 1.00 0.00 C ATOM 288 CD GLU A 19 11.696 -10.909 -12.508 1.00 0.00 C ATOM 289 OE1 GLU A 19 10.927 -9.996 -12.845 1.00 0.00 O ATOM 290 OE2 GLU A 19 12.534 -11.497 -13.293 1.00 0.00 O ATOM 0 H GLU A 19 10.800 -8.501 -10.899 1.00 0.00 H new ATOM 0 HA GLU A 19 10.388 -10.540 -9.078 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.733 -9.566 -10.680 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.003 -10.800 -9.465 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.298 -12.322 -10.994 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.680 -11.686 -10.771 1.00 0.00 H new ATOM 297 N LYS A 20 11.877 -7.984 -7.804 1.00 0.00 N ATOM 298 CA LYS A 20 12.386 -7.398 -6.576 1.00 0.00 C ATOM 299 C LYS A 20 11.404 -7.676 -5.437 1.00 0.00 C ATOM 300 O LYS A 20 11.698 -8.460 -4.537 1.00 0.00 O ATOM 301 CB LYS A 20 12.689 -5.912 -6.778 1.00 0.00 C ATOM 302 CG LYS A 20 13.336 -5.309 -5.528 1.00 0.00 C ATOM 303 CD LYS A 20 14.458 -4.340 -5.904 1.00 0.00 C ATOM 304 CE LYS A 20 13.908 -2.931 -6.141 1.00 0.00 C ATOM 305 NZ LYS A 20 14.012 -2.569 -7.573 1.00 0.00 N ATOM 0 H LYS A 20 11.707 -7.317 -8.557 1.00 0.00 H new ATOM 0 HA LYS A 20 13.334 -7.859 -6.298 1.00 0.00 H new ATOM 0 HB2 LYS A 20 13.354 -5.786 -7.633 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.768 -5.377 -7.009 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.582 -4.787 -4.940 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.734 -6.106 -4.900 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.203 -4.315 -5.109 1.00 0.00 H new ATOM 0 HD3 LYS A 20 14.963 -4.693 -6.803 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.867 -2.882 -5.822 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.461 -2.212 -5.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.635 -1.611 -7.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 15.009 -2.596 -7.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 13.465 -3.246 -8.143 1.00 0.00 H new ATOM 319 N LEU A 21 10.256 -7.019 -5.515 1.00 0.00 N ATOM 320 CA LEU A 21 9.228 -7.186 -4.501 1.00 0.00 C ATOM 321 C LEU A 21 8.743 -8.637 -4.507 1.00 0.00 C ATOM 322 O LEU A 21 8.246 -9.133 -3.497 1.00 0.00 O ATOM 323 CB LEU A 21 8.108 -6.162 -4.700 1.00 0.00 C ATOM 324 CG LEU A 21 7.937 -5.130 -3.584 1.00 0.00 C ATOM 325 CD1 LEU A 21 8.443 -3.756 -4.026 1.00 0.00 C ATOM 326 CD2 LEU A 21 6.485 -5.079 -3.103 1.00 0.00 C ATOM 0 H LEU A 21 10.015 -6.370 -6.264 1.00 0.00 H new ATOM 0 HA LEU A 21 9.635 -6.990 -3.509 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.290 -5.631 -5.634 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.167 -6.700 -4.817 1.00 0.00 H new ATOM 0 HG LEU A 21 8.547 -5.440 -2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.310 -3.041 -3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.501 -3.823 -4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.880 -3.424 -4.898 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.390 -4.338 -2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.836 -4.805 -3.935 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.193 -6.058 -2.722 1.00 0.00 H new ATOM 338 N LEU A 22 8.905 -9.277 -5.656 1.00 0.00 N ATOM 339 CA LEU A 22 8.490 -10.661 -5.807 1.00 0.00 C ATOM 340 C LEU A 22 9.162 -11.511 -4.727 1.00 0.00 C ATOM 341 O LEU A 22 8.498 -12.004 -3.816 1.00 0.00 O ATOM 342 CB LEU A 22 8.761 -11.149 -7.231 1.00 0.00 C ATOM 343 CG LEU A 22 7.771 -12.174 -7.788 1.00 0.00 C ATOM 344 CD1 LEU A 22 7.685 -13.403 -6.881 1.00 0.00 C ATOM 345 CD2 LEU A 22 6.399 -11.539 -8.025 1.00 0.00 C ATOM 0 H LEU A 22 9.318 -8.862 -6.491 1.00 0.00 H new ATOM 0 HA LEU A 22 7.414 -10.754 -5.662 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.770 -10.284 -7.895 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.760 -11.584 -7.261 1.00 0.00 H new ATOM 0 HG LEU A 22 8.140 -12.514 -8.756 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.974 -14.115 -7.300 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.667 -13.870 -6.807 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.352 -13.100 -5.888 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.714 -12.289 -8.421 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.009 -11.153 -7.083 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.495 -10.722 -8.740 1.00 0.00 H new ATOM 357 N ARG A 23 10.472 -11.656 -4.863 1.00 0.00 N ATOM 358 CA ARG A 23 11.242 -12.438 -3.910 1.00 0.00 C ATOM 359 C ARG A 23 11.114 -11.841 -2.508 1.00 0.00 C ATOM 360 O ARG A 23 10.999 -12.573 -1.526 1.00 0.00 O ATOM 361 CB ARG A 23 12.720 -12.486 -4.304 1.00 0.00 C ATOM 362 CG ARG A 23 13.318 -11.079 -4.360 1.00 0.00 C ATOM 363 CD ARG A 23 14.708 -11.100 -4.999 1.00 0.00 C ATOM 364 NE ARG A 23 15.695 -10.485 -4.084 1.00 0.00 N ATOM 365 CZ ARG A 23 17.027 -10.476 -4.302 1.00 0.00 C ATOM 366 NH1 ARG A 23 17.544 -11.051 -5.409 1.00 0.00 N ATOM 367 NH2 ARG A 23 17.818 -9.897 -3.417 1.00 0.00 N ATOM 0 H ARG A 23 11.020 -11.245 -5.619 1.00 0.00 H new ATOM 0 HA ARG A 23 10.844 -13.453 -3.914 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.272 -13.091 -3.585 1.00 0.00 H new ATOM 0 HB3 ARG A 23 12.826 -12.969 -5.275 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.661 -10.423 -4.931 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.383 -10.667 -3.353 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.998 -12.126 -5.224 1.00 0.00 H new ATOM 0 HD3 ARG A 23 14.691 -10.559 -5.945 1.00 0.00 H new ATOM 0 HE ARG A 23 15.347 -10.040 -3.235 1.00 0.00 H new ATOM 0 HH11 ARG A 23 16.927 -11.496 -6.088 1.00 0.00 H new ATOM 0 HH12 ARG A 23 18.552 -11.040 -5.566 1.00 0.00 H new ATOM 0 HH21 ARG A 23 17.420 -9.465 -2.583 1.00 0.00 H new ATOM 0 HH22 ARG A 23 18.827 -9.882 -3.567 1.00 0.00 H new ATOM 381 N LYS A 24 11.137 -10.517 -2.458 1.00 0.00 N ATOM 382 CA LYS A 24 11.025 -9.813 -1.192 1.00 0.00 C ATOM 383 C LYS A 24 9.910 -10.448 -0.358 1.00 0.00 C ATOM 384 O LYS A 24 10.169 -11.011 0.705 1.00 0.00 O ATOM 385 CB LYS A 24 10.838 -8.313 -1.427 1.00 0.00 C ATOM 386 CG LYS A 24 11.748 -7.496 -0.508 1.00 0.00 C ATOM 387 CD LYS A 24 11.598 -5.998 -0.778 1.00 0.00 C ATOM 388 CE LYS A 24 12.578 -5.187 0.073 1.00 0.00 C ATOM 389 NZ LYS A 24 13.948 -5.287 -0.477 1.00 0.00 N ATOM 0 H LYS A 24 11.232 -9.913 -3.275 1.00 0.00 H new ATOM 0 HA LYS A 24 11.948 -9.910 -0.620 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.057 -8.074 -2.468 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.798 -8.041 -1.250 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.504 -7.708 0.533 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.785 -7.794 -0.659 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.774 -5.796 -1.834 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.577 -5.686 -0.560 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.266 -4.143 0.101 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.565 -5.551 1.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.581 -4.652 0.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.287 -6.266 -0.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.940 -5.014 -1.480 1.00 0.00 H new ATOM 403 N THR A 25 8.694 -10.335 -0.870 1.00 0.00 N ATOM 404 CA THR A 25 7.539 -10.891 -0.186 1.00 0.00 C ATOM 405 C THR A 25 7.367 -12.369 -0.543 1.00 0.00 C ATOM 406 O THR A 25 6.991 -12.700 -1.667 1.00 0.00 O ATOM 407 CB THR A 25 6.321 -10.035 -0.541 1.00 0.00 C ATOM 408 OG1 THR A 25 5.213 -10.791 -0.061 1.00 0.00 O ATOM 409 CG2 THR A 25 6.087 -9.947 -2.050 1.00 0.00 C ATOM 0 H THR A 25 8.483 -9.866 -1.751 1.00 0.00 H new ATOM 0 HA THR A 25 7.670 -10.863 0.896 1.00 0.00 H new ATOM 0 HB THR A 25 6.452 -9.032 -0.135 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.381 -10.308 -0.249 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.211 -9.329 -2.247 1.00 0.00 H new ATOM 0 HG22 THR A 25 6.960 -9.503 -2.528 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.923 -10.947 -2.452 1.00 0.00 H new ATOM 417 N ARG A 26 7.651 -13.218 0.434 1.00 0.00 N ATOM 418 CA ARG A 26 7.533 -14.653 0.236 1.00 0.00 C ATOM 419 C ARG A 26 6.093 -15.021 -0.129 1.00 0.00 C ATOM 420 O ARG A 26 5.798 -15.313 -1.286 1.00 0.00 O ATOM 421 CB ARG A 26 7.945 -15.418 1.495 1.00 0.00 C ATOM 422 CG ARG A 26 8.999 -16.478 1.172 1.00 0.00 C ATOM 423 CD ARG A 26 9.042 -17.557 2.257 1.00 0.00 C ATOM 424 NE ARG A 26 10.287 -18.348 2.134 1.00 0.00 N ATOM 425 CZ ARG A 26 11.463 -18.001 2.698 1.00 0.00 C ATOM 426 NH1 ARG A 26 11.565 -16.871 3.430 1.00 0.00 N ATOM 427 NH2 ARG A 26 12.512 -18.783 2.524 1.00 0.00 N ATOM 0 H ARG A 26 7.962 -12.940 1.365 1.00 0.00 H new ATOM 0 HA ARG A 26 8.201 -14.932 -0.579 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.339 -14.722 2.235 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.070 -15.893 1.939 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.777 -16.935 0.208 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.978 -16.007 1.083 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.990 -17.095 3.243 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.175 -18.211 2.166 1.00 0.00 H new ATOM 0 HE ARG A 26 10.254 -19.209 1.589 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.750 -16.272 3.560 1.00 0.00 H new ATOM 0 HH12 ARG A 26 12.458 -16.616 3.853 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.427 -19.635 1.970 1.00 0.00 H new ATOM 0 HH22 ARG A 26 13.408 -18.535 2.943 1.00 0.00 H new ATOM 441 N GLU A 27 5.236 -14.996 0.881 1.00 0.00 N ATOM 442 CA GLU A 27 3.835 -15.324 0.681 1.00 0.00 C ATOM 443 C GLU A 27 3.100 -15.356 2.023 1.00 0.00 C ATOM 444 O GLU A 27 2.435 -14.389 2.393 1.00 0.00 O ATOM 445 CB GLU A 27 3.683 -16.655 -0.058 1.00 0.00 C ATOM 446 CG GLU A 27 3.021 -16.453 -1.422 1.00 0.00 C ATOM 447 CD GLU A 27 3.802 -17.173 -2.523 1.00 0.00 C ATOM 448 OE1 GLU A 27 4.729 -16.592 -3.107 1.00 0.00 O ATOM 449 OE2 GLU A 27 3.416 -18.380 -2.765 1.00 0.00 O ATOM 0 H GLU A 27 5.485 -14.754 1.840 1.00 0.00 H new ATOM 0 HA GLU A 27 3.386 -14.548 0.061 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.662 -17.116 -0.190 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.086 -17.342 0.542 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.998 -16.828 -1.393 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.964 -15.388 -1.648 1.00 0.00 H new ATOM 456 N SER A 28 3.245 -16.476 2.715 1.00 0.00 N ATOM 457 CA SER A 28 2.604 -16.646 4.008 1.00 0.00 C ATOM 458 C SER A 28 1.106 -16.356 3.891 1.00 0.00 C ATOM 459 O SER A 28 0.620 -16.009 2.816 1.00 0.00 O ATOM 460 CB SER A 28 3.240 -15.737 5.061 1.00 0.00 C ATOM 461 OG SER A 28 3.709 -16.473 6.188 1.00 0.00 O ATOM 0 H SER A 28 3.797 -17.275 2.405 1.00 0.00 H new ATOM 0 HA SER A 28 2.744 -17.679 4.327 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.070 -15.190 4.614 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.510 -14.997 5.389 1.00 0.00 H new ATOM 0 HG SER A 28 4.110 -15.858 6.837 1.00 0.00 H new ATOM 467 N PRO A 29 0.399 -16.514 5.042 1.00 0.00 N ATOM 468 CA PRO A 29 -1.033 -16.273 5.079 1.00 0.00 C ATOM 469 C PRO A 29 -1.338 -14.774 5.056 1.00 0.00 C ATOM 470 O PRO A 29 -0.723 -14.001 5.788 1.00 0.00 O ATOM 471 CB PRO A 29 -1.515 -16.958 6.348 1.00 0.00 C ATOM 472 CG PRO A 29 -0.278 -17.155 7.209 1.00 0.00 C ATOM 473 CD PRO A 29 0.942 -16.924 6.333 1.00 0.00 C ATOM 0 HA PRO A 29 -1.549 -16.673 4.206 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.257 -16.348 6.864 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.989 -17.913 6.121 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.282 -16.459 8.048 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.261 -18.161 7.629 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.590 -16.155 6.752 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.541 -17.830 6.241 1.00 0.00 H new ATOM 481 N LEU A 30 -2.288 -14.409 4.207 1.00 0.00 N ATOM 482 CA LEU A 30 -2.682 -13.016 4.079 1.00 0.00 C ATOM 483 C LEU A 30 -3.901 -12.752 4.965 1.00 0.00 C ATOM 484 O LEU A 30 -4.188 -11.606 5.306 1.00 0.00 O ATOM 485 CB LEU A 30 -2.901 -12.654 2.608 1.00 0.00 C ATOM 486 CG LEU A 30 -4.116 -13.295 1.934 1.00 0.00 C ATOM 487 CD1 LEU A 30 -5.371 -12.446 2.145 1.00 0.00 C ATOM 488 CD2 LEU A 30 -3.845 -13.558 0.451 1.00 0.00 C ATOM 0 H LEU A 30 -2.796 -15.054 3.601 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.885 -12.361 4.429 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.997 -11.571 2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.009 -12.936 2.048 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.298 -14.261 2.405 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.220 -12.924 1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.572 -12.353 3.212 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.216 -11.455 1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.724 -14.014 -0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.623 -12.616 -0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.994 -14.232 0.351 1.00 0.00 H new ATOM 500 N VAL A 31 -4.585 -13.832 5.313 1.00 0.00 N ATOM 501 CA VAL A 31 -5.766 -13.731 6.153 1.00 0.00 C ATOM 502 C VAL A 31 -5.429 -12.919 7.405 1.00 0.00 C ATOM 503 O VAL A 31 -6.134 -11.969 7.742 1.00 0.00 O ATOM 504 CB VAL A 31 -6.301 -15.128 6.474 1.00 0.00 C ATOM 505 CG1 VAL A 31 -6.705 -15.237 7.945 1.00 0.00 C ATOM 506 CG2 VAL A 31 -7.470 -15.492 5.556 1.00 0.00 C ATOM 0 H VAL A 31 -4.344 -14.781 5.028 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.563 -13.204 5.628 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.498 -15.843 6.294 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.082 -16.240 8.146 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.838 -15.042 8.576 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.484 -14.507 8.163 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.831 -16.490 5.805 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -8.276 -14.770 5.689 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.137 -15.476 4.518 1.00 0.00 H new ATOM 516 N PRO A 32 -4.321 -13.332 8.077 1.00 0.00 N ATOM 517 CA PRO A 32 -3.881 -12.653 9.284 1.00 0.00 C ATOM 518 C PRO A 32 -3.221 -11.314 8.950 1.00 0.00 C ATOM 519 O PRO A 32 -3.789 -10.255 9.214 1.00 0.00 O ATOM 520 CB PRO A 32 -2.934 -13.630 9.962 1.00 0.00 C ATOM 521 CG PRO A 32 -2.517 -14.620 8.887 1.00 0.00 C ATOM 522 CD PRO A 32 -3.461 -14.452 7.707 1.00 0.00 C ATOM 0 HA PRO A 32 -4.707 -12.395 9.947 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.068 -13.112 10.373 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.425 -14.138 10.792 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.487 -14.439 8.580 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.561 -15.640 9.269 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.913 -14.244 6.788 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.043 -15.357 7.533 1.00 0.00 H new ATOM 530 N ILE A 33 -2.031 -11.404 8.375 1.00 0.00 N ATOM 531 CA ILE A 33 -1.287 -10.212 8.003 1.00 0.00 C ATOM 532 C ILE A 33 -2.241 -9.201 7.363 1.00 0.00 C ATOM 533 O ILE A 33 -2.084 -7.995 7.544 1.00 0.00 O ATOM 534 CB ILE A 33 -0.095 -10.580 7.117 1.00 0.00 C ATOM 535 CG1 ILE A 33 1.027 -11.213 7.942 1.00 0.00 C ATOM 536 CG2 ILE A 33 0.392 -9.366 6.323 1.00 0.00 C ATOM 537 CD1 ILE A 33 2.092 -11.833 7.036 1.00 0.00 C ATOM 0 H ILE A 33 -1.563 -12.284 8.157 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.862 -9.735 8.887 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.424 -11.327 6.395 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.484 -10.457 8.581 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.613 -11.978 8.599 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.240 -9.654 5.701 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.415 -8.999 5.689 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.698 -8.579 7.013 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.878 -12.276 7.648 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.637 -12.605 6.415 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.521 -11.061 6.398 1.00 0.00 H new ATOM 549 N GLY A 34 -3.207 -9.730 6.627 1.00 0.00 N ATOM 550 CA GLY A 34 -4.185 -8.889 5.959 1.00 0.00 C ATOM 551 C GLY A 34 -5.140 -8.250 6.970 1.00 0.00 C ATOM 552 O GLY A 34 -5.378 -7.044 6.927 1.00 0.00 O ATOM 0 H GLY A 34 -3.333 -10.731 6.479 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.674 -8.110 5.393 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.752 -9.483 5.243 1.00 0.00 H new ATOM 556 N LEU A 35 -5.660 -9.086 7.855 1.00 0.00 N ATOM 557 CA LEU A 35 -6.583 -8.618 8.875 1.00 0.00 C ATOM 558 C LEU A 35 -5.916 -7.508 9.690 1.00 0.00 C ATOM 559 O LEU A 35 -6.512 -6.457 9.919 1.00 0.00 O ATOM 560 CB LEU A 35 -7.083 -9.789 9.724 1.00 0.00 C ATOM 561 CG LEU A 35 -8.345 -9.528 10.549 1.00 0.00 C ATOM 562 CD1 LEU A 35 -9.541 -10.292 9.976 1.00 0.00 C ATOM 563 CD2 LEU A 35 -8.112 -9.853 12.026 1.00 0.00 C ATOM 0 H LEU A 35 -5.460 -10.086 7.887 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.472 -8.186 8.415 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.273 -10.636 9.064 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.284 -10.087 10.403 1.00 0.00 H new ATOM 0 HG LEU A 35 -8.581 -8.466 10.487 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -10.425 -10.090 10.580 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.721 -9.970 8.950 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -9.330 -11.361 9.989 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.024 -9.659 12.590 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.839 -10.903 12.129 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.307 -9.229 12.413 1.00 0.00 H new ATOM 575 N GLY A 36 -4.688 -7.780 10.106 1.00 0.00 N ATOM 576 CA GLY A 36 -3.933 -6.818 10.890 1.00 0.00 C ATOM 577 C GLY A 36 -3.710 -5.524 10.104 1.00 0.00 C ATOM 578 O GLY A 36 -4.286 -4.488 10.432 1.00 0.00 O ATOM 0 H GLY A 36 -4.197 -8.653 9.915 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.467 -6.599 11.815 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.971 -7.247 11.171 1.00 0.00 H new ATOM 582 N GLY A 37 -2.873 -5.627 9.082 1.00 0.00 N ATOM 583 CA GLY A 37 -2.567 -4.478 8.247 1.00 0.00 C ATOM 584 C GLY A 37 -3.848 -3.807 7.747 1.00 0.00 C ATOM 585 O GLY A 37 -3.828 -2.644 7.346 1.00 0.00 O ATOM 0 H GLY A 37 -2.397 -6.488 8.813 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.973 -3.760 8.813 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.961 -4.793 7.397 1.00 0.00 H new ATOM 589 N CYS A 38 -4.932 -4.568 7.788 1.00 0.00 N ATOM 590 CA CYS A 38 -6.219 -4.061 7.345 1.00 0.00 C ATOM 591 C CYS A 38 -6.759 -3.115 8.419 1.00 0.00 C ATOM 592 O CYS A 38 -7.228 -2.021 8.109 1.00 0.00 O ATOM 593 CB CYS A 38 -7.199 -5.196 7.039 1.00 0.00 C ATOM 594 SG CYS A 38 -8.897 -4.532 6.882 1.00 0.00 S ATOM 0 H CYS A 38 -4.945 -5.532 8.121 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.095 -3.514 6.410 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.909 -5.698 6.116 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.163 -5.942 7.833 1.00 0.00 H new ATOM 0 HG CYS A 38 -9.720 -5.503 6.620 1.00 0.00 H new ATOM 600 N LEU A 39 -6.676 -3.572 9.660 1.00 0.00 N ATOM 601 CA LEU A 39 -7.151 -2.779 10.782 1.00 0.00 C ATOM 602 C LEU A 39 -6.325 -1.495 10.879 1.00 0.00 C ATOM 603 O LEU A 39 -6.857 -0.434 11.205 1.00 0.00 O ATOM 604 CB LEU A 39 -7.146 -3.612 12.066 1.00 0.00 C ATOM 605 CG LEU A 39 -8.461 -3.645 12.848 1.00 0.00 C ATOM 606 CD1 LEU A 39 -8.681 -5.016 13.491 1.00 0.00 C ATOM 607 CD2 LEU A 39 -8.515 -2.514 13.877 1.00 0.00 C ATOM 0 H LEU A 39 -6.287 -4.480 9.913 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.188 -2.481 10.626 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.872 -4.636 11.811 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.365 -3.227 12.722 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.280 -3.482 12.148 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.622 -5.013 14.041 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.716 -5.780 12.715 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.861 -5.232 14.176 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.460 -2.560 14.419 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.688 -2.621 14.579 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.436 -1.554 13.367 1.00 0.00 H new ATOM 619 N VAL A 40 -5.039 -1.633 10.592 1.00 0.00 N ATOM 620 CA VAL A 40 -4.135 -0.496 10.643 1.00 0.00 C ATOM 621 C VAL A 40 -4.521 0.506 9.553 1.00 0.00 C ATOM 622 O VAL A 40 -5.021 1.590 9.851 1.00 0.00 O ATOM 623 CB VAL A 40 -2.686 -0.975 10.529 1.00 0.00 C ATOM 624 CG1 VAL A 40 -1.728 0.209 10.379 1.00 0.00 C ATOM 625 CG2 VAL A 40 -2.300 -1.844 11.727 1.00 0.00 C ATOM 0 H VAL A 40 -4.601 -2.514 10.323 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.220 0.017 11.601 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.605 -1.588 9.631 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.705 -0.159 10.300 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.982 0.771 9.480 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.814 0.859 11.250 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.266 -2.171 11.621 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.405 -1.266 12.645 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.953 -2.715 11.770 1.00 0.00 H new ATOM 635 N VAL A 41 -4.275 0.109 8.314 1.00 0.00 N ATOM 636 CA VAL A 41 -4.591 0.959 7.178 1.00 0.00 C ATOM 637 C VAL A 41 -6.007 1.513 7.340 1.00 0.00 C ATOM 638 O VAL A 41 -6.216 2.724 7.271 1.00 0.00 O ATOM 639 CB VAL A 41 -4.397 0.183 5.874 1.00 0.00 C ATOM 640 CG1 VAL A 41 -5.487 -0.877 5.700 1.00 0.00 C ATOM 641 CG2 VAL A 41 -4.357 1.131 4.673 1.00 0.00 C ATOM 0 H VAL A 41 -3.860 -0.791 8.071 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.912 1.811 7.137 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.437 -0.330 5.928 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.326 -1.414 4.765 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.449 -1.579 6.533 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.464 -0.394 5.677 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.218 0.554 3.759 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.295 1.684 4.614 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.530 1.831 4.789 1.00 0.00 H new ATOM 651 N ALA A 42 -6.945 0.601 7.552 1.00 0.00 N ATOM 652 CA ALA A 42 -8.336 0.984 7.724 1.00 0.00 C ATOM 653 C ALA A 42 -8.417 2.188 8.665 1.00 0.00 C ATOM 654 O ALA A 42 -9.000 3.213 8.317 1.00 0.00 O ATOM 655 CB ALA A 42 -9.135 -0.214 8.242 1.00 0.00 C ATOM 0 H ALA A 42 -6.769 -0.402 7.609 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.773 1.281 6.770 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.179 0.073 8.371 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.070 -1.032 7.525 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.726 -0.537 9.199 1.00 0.00 H new ATOM 661 N ALA A 43 -7.822 2.024 9.837 1.00 0.00 N ATOM 662 CA ALA A 43 -7.819 3.084 10.830 1.00 0.00 C ATOM 663 C ALA A 43 -7.341 4.384 10.180 1.00 0.00 C ATOM 664 O ALA A 43 -8.042 5.394 10.215 1.00 0.00 O ATOM 665 CB ALA A 43 -6.947 2.671 12.017 1.00 0.00 C ATOM 0 H ALA A 43 -7.338 1.172 10.121 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.826 3.256 11.210 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.945 3.467 12.762 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.346 1.759 12.462 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.928 2.492 11.675 1.00 0.00 H new ATOM 671 N TYR A 44 -6.151 4.317 9.602 1.00 0.00 N ATOM 672 CA TYR A 44 -5.571 5.476 8.945 1.00 0.00 C ATOM 673 C TYR A 44 -6.564 6.104 7.965 1.00 0.00 C ATOM 674 O TYR A 44 -6.630 7.326 7.840 1.00 0.00 O ATOM 675 CB TYR A 44 -4.362 4.957 8.165 1.00 0.00 C ATOM 676 CG TYR A 44 -3.018 5.248 8.836 1.00 0.00 C ATOM 677 CD1 TYR A 44 -2.630 4.527 9.947 1.00 0.00 C ATOM 678 CD2 TYR A 44 -2.192 6.231 8.329 1.00 0.00 C ATOM 679 CE1 TYR A 44 -1.365 4.800 10.578 1.00 0.00 C ATOM 680 CE2 TYR A 44 -0.927 6.505 8.961 1.00 0.00 C ATOM 681 CZ TYR A 44 -0.576 5.776 10.054 1.00 0.00 C ATOM 682 OH TYR A 44 0.618 6.035 10.650 1.00 0.00 O ATOM 0 H TYR A 44 -5.572 3.478 9.575 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.301 6.237 9.677 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.464 3.880 8.031 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.365 5.404 7.171 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.276 3.757 10.343 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.494 6.795 7.459 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.050 4.242 11.448 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.272 7.272 8.575 1.00 0.00 H new ATOM 0 HH TYR A 44 0.962 5.215 11.062 1.00 0.00 H new ATOM 692 N ARG A 45 -7.312 5.240 7.294 1.00 0.00 N ATOM 693 CA ARG A 45 -8.298 5.695 6.329 1.00 0.00 C ATOM 694 C ARG A 45 -9.375 6.531 7.024 1.00 0.00 C ATOM 695 O ARG A 45 -9.472 7.736 6.797 1.00 0.00 O ATOM 696 CB ARG A 45 -8.960 4.512 5.619 1.00 0.00 C ATOM 697 CG ARG A 45 -9.133 4.796 4.126 1.00 0.00 C ATOM 698 CD ARG A 45 -10.081 5.976 3.898 1.00 0.00 C ATOM 699 NE ARG A 45 -10.074 6.362 2.469 1.00 0.00 N ATOM 700 CZ ARG A 45 -10.678 5.654 1.491 1.00 0.00 C ATOM 701 NH1 ARG A 45 -11.342 4.515 1.780 1.00 0.00 N ATOM 702 NH2 ARG A 45 -10.609 6.092 0.248 1.00 0.00 N ATOM 0 H ARG A 45 -7.255 4.227 7.400 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.781 6.306 5.589 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.354 3.616 5.755 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.932 4.310 6.070 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -8.163 5.013 3.679 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.524 3.909 3.626 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -11.091 5.706 4.205 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.776 6.822 4.513 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.582 7.216 2.207 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.390 4.183 2.743 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.796 3.986 1.035 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.105 6.953 0.038 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.060 5.569 -0.503 1.00 0.00 H new ATOM 716 N ILE A 46 -10.156 5.858 7.856 1.00 0.00 N ATOM 717 CA ILE A 46 -11.221 6.524 8.586 1.00 0.00 C ATOM 718 C ILE A 46 -10.696 7.843 9.156 1.00 0.00 C ATOM 719 O ILE A 46 -11.245 8.908 8.874 1.00 0.00 O ATOM 720 CB ILE A 46 -11.813 5.589 9.643 1.00 0.00 C ATOM 721 CG1 ILE A 46 -12.695 4.519 8.996 1.00 0.00 C ATOM 722 CG2 ILE A 46 -12.564 6.380 10.715 1.00 0.00 C ATOM 723 CD1 ILE A 46 -12.190 3.115 9.336 1.00 0.00 C ATOM 0 H ILE A 46 -10.073 4.858 8.041 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.044 6.771 7.916 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.992 5.072 10.140 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -13.723 4.633 9.340 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -12.704 4.655 7.914 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.975 5.692 11.454 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -11.878 7.071 11.205 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -13.375 6.941 10.251 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -12.834 2.373 8.864 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.170 2.996 8.969 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -12.206 2.975 10.417 1.00 0.00 H new ATOM 735 N TYR A 47 -9.640 7.730 9.948 1.00 0.00 N ATOM 736 CA TYR A 47 -9.034 8.900 10.560 1.00 0.00 C ATOM 737 C TYR A 47 -8.919 10.047 9.555 1.00 0.00 C ATOM 738 O TYR A 47 -9.428 11.141 9.794 1.00 0.00 O ATOM 739 CB TYR A 47 -7.630 8.472 10.991 1.00 0.00 C ATOM 740 CG TYR A 47 -7.458 8.336 12.506 1.00 0.00 C ATOM 741 CD1 TYR A 47 -7.786 9.390 13.334 1.00 0.00 C ATOM 742 CD2 TYR A 47 -6.975 7.160 13.043 1.00 0.00 C ATOM 743 CE1 TYR A 47 -7.625 9.262 14.760 1.00 0.00 C ATOM 744 CE2 TYR A 47 -6.813 7.033 14.468 1.00 0.00 C ATOM 745 CZ TYR A 47 -7.146 8.090 15.256 1.00 0.00 C ATOM 746 OH TYR A 47 -6.993 7.970 16.602 1.00 0.00 O ATOM 0 H TYR A 47 -9.188 6.845 10.180 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.638 9.252 11.396 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.392 7.517 10.522 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.909 9.199 10.618 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -8.163 10.310 12.913 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.719 6.335 12.395 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.879 10.078 15.420 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.435 6.119 14.901 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.643 7.079 16.813 1.00 0.00 H new ATOM 756 N ARG A 48 -8.246 9.758 8.450 1.00 0.00 N ATOM 757 CA ARG A 48 -8.056 10.752 7.407 1.00 0.00 C ATOM 758 C ARG A 48 -9.405 11.328 6.972 1.00 0.00 C ATOM 759 O ARG A 48 -9.611 12.540 7.018 1.00 0.00 O ATOM 760 CB ARG A 48 -7.352 10.147 6.192 1.00 0.00 C ATOM 761 CG ARG A 48 -5.900 9.791 6.520 1.00 0.00 C ATOM 762 CD ARG A 48 -4.929 10.712 5.778 1.00 0.00 C ATOM 763 NE ARG A 48 -4.024 11.376 6.743 1.00 0.00 N ATOM 764 CZ ARG A 48 -4.304 12.541 7.364 1.00 0.00 C ATOM 765 NH1 ARG A 48 -5.467 13.182 7.126 1.00 0.00 N ATOM 766 NH2 ARG A 48 -3.422 13.044 8.207 1.00 0.00 N ATOM 0 H ARG A 48 -7.826 8.849 8.255 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.432 11.547 7.815 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.885 9.253 5.866 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -7.378 10.854 5.363 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -5.735 9.873 7.594 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.705 8.754 6.246 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.347 10.136 5.058 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.485 11.461 5.213 1.00 0.00 H new ATOM 0 HE ARG A 48 -3.133 10.925 6.952 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.143 12.787 6.472 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.670 14.062 7.600 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.545 12.553 8.381 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -3.617 13.924 8.685 1.00 0.00 H new ATOM 780 N LEU A 49 -10.290 10.432 6.559 1.00 0.00 N ATOM 781 CA LEU A 49 -11.613 10.836 6.116 1.00 0.00 C ATOM 782 C LEU A 49 -12.144 11.933 7.041 1.00 0.00 C ATOM 783 O LEU A 49 -12.429 13.043 6.595 1.00 0.00 O ATOM 784 CB LEU A 49 -12.537 9.621 6.010 1.00 0.00 C ATOM 785 CG LEU A 49 -13.195 9.395 4.647 1.00 0.00 C ATOM 786 CD1 LEU A 49 -14.100 10.570 4.274 1.00 0.00 C ATOM 787 CD2 LEU A 49 -12.144 9.116 3.571 1.00 0.00 C ATOM 0 H LEU A 49 -10.116 9.428 6.522 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.565 11.260 5.113 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -11.964 8.730 6.267 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -13.323 9.721 6.759 1.00 0.00 H new ATOM 0 HG LEU A 49 -13.828 8.510 4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -14.555 10.384 3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -14.882 10.680 5.025 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -13.509 11.485 4.229 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -12.638 8.959 2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -11.466 9.966 3.495 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -11.578 8.224 3.838 1.00 0.00 H new ATOM 799 N ARG A 50 -12.260 11.584 8.314 1.00 0.00 N ATOM 800 CA ARG A 50 -12.751 12.525 9.307 1.00 0.00 C ATOM 801 C ARG A 50 -12.015 13.860 9.181 1.00 0.00 C ATOM 802 O ARG A 50 -10.790 13.910 9.284 1.00 0.00 O ATOM 803 CB ARG A 50 -12.565 11.978 10.723 1.00 0.00 C ATOM 804 CG ARG A 50 -13.600 12.573 11.681 1.00 0.00 C ATOM 805 CD ARG A 50 -13.623 11.809 13.006 1.00 0.00 C ATOM 806 NE ARG A 50 -13.175 12.692 14.107 1.00 0.00 N ATOM 807 CZ ARG A 50 -13.183 12.340 15.410 1.00 0.00 C ATOM 808 NH1 ARG A 50 -13.615 11.118 15.787 1.00 0.00 N ATOM 809 NH2 ARG A 50 -12.760 13.208 16.310 1.00 0.00 N ATOM 0 H ARG A 50 -12.022 10.662 8.681 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.815 12.675 9.126 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.656 10.892 10.712 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.561 12.210 11.077 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.369 13.622 11.866 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -14.588 12.540 11.221 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.630 11.445 13.208 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -12.975 10.935 12.943 1.00 0.00 H new ATOM 0 HE ARG A 50 -12.839 13.624 13.866 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -13.939 10.453 15.085 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -13.618 10.860 16.774 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -12.434 14.129 16.017 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.759 12.958 17.299 1.00 0.00 H new ATOM 1045 N ARG A 65 5.860 13.472 7.784 1.00 0.00 N ATOM 1046 CA ARG A 65 5.119 13.109 6.588 1.00 0.00 C ATOM 1047 C ARG A 65 4.609 11.671 6.696 1.00 0.00 C ATOM 1048 O ARG A 65 4.459 10.984 5.687 1.00 0.00 O ATOM 1049 CB ARG A 65 5.992 13.241 5.338 1.00 0.00 C ATOM 1050 CG ARG A 65 5.703 14.551 4.604 1.00 0.00 C ATOM 1051 CD ARG A 65 6.425 14.595 3.255 1.00 0.00 C ATOM 1052 NE ARG A 65 7.850 14.940 3.455 1.00 0.00 N ATOM 1053 CZ ARG A 65 8.306 16.197 3.640 1.00 0.00 C ATOM 1054 NH1 ARG A 65 7.450 17.241 3.652 1.00 0.00 N ATOM 1055 NH2 ARG A 65 9.601 16.390 3.808 1.00 0.00 N ATOM 0 HA ARG A 65 4.274 13.792 6.501 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.044 13.202 5.619 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.809 12.398 4.671 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.629 14.656 4.449 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.021 15.394 5.218 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.343 13.629 2.757 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.952 15.330 2.604 1.00 0.00 H new ATOM 0 HE ARG A 65 8.531 14.180 3.453 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.451 17.083 3.521 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.802 18.188 3.792 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.241 15.596 3.797 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.962 17.334 3.949 1.00 0.00 H new ATOM 1069 N VAL A 66 4.356 11.258 7.930 1.00 0.00 N ATOM 1070 CA VAL A 66 3.866 9.913 8.183 1.00 0.00 C ATOM 1071 C VAL A 66 2.675 9.628 7.265 1.00 0.00 C ATOM 1072 O VAL A 66 2.632 8.593 6.601 1.00 0.00 O ATOM 1073 CB VAL A 66 3.529 9.750 9.666 1.00 0.00 C ATOM 1074 CG1 VAL A 66 2.903 8.381 9.939 1.00 0.00 C ATOM 1075 CG2 VAL A 66 4.768 9.969 10.537 1.00 0.00 C ATOM 0 H VAL A 66 4.481 11.831 8.765 1.00 0.00 H new ATOM 0 HA VAL A 66 4.636 9.176 7.955 1.00 0.00 H new ATOM 0 HB VAL A 66 2.795 10.512 9.928 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.673 8.291 11.001 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.986 8.278 9.359 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.604 7.597 9.652 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.501 9.847 11.587 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.534 9.240 10.271 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.153 10.976 10.375 1.00 0.00 H new ATOM 1085 N ALA A 67 1.738 10.565 7.256 1.00 0.00 N ATOM 1086 CA ALA A 67 0.550 10.427 6.430 1.00 0.00 C ATOM 1087 C ALA A 67 0.968 10.253 4.969 1.00 0.00 C ATOM 1088 O ALA A 67 0.488 9.350 4.286 1.00 0.00 O ATOM 1089 CB ALA A 67 -0.359 11.640 6.637 1.00 0.00 C ATOM 0 H ALA A 67 1.777 11.422 7.807 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.018 9.542 6.718 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.250 11.537 6.018 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.651 11.701 7.685 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.175 12.547 6.356 1.00 0.00 H new ATOM 1095 N ALA A 68 1.857 11.133 4.532 1.00 0.00 N ATOM 1096 CA ALA A 68 2.344 11.088 3.164 1.00 0.00 C ATOM 1097 C ALA A 68 2.822 9.670 2.844 1.00 0.00 C ATOM 1098 O ALA A 68 2.296 9.023 1.939 1.00 0.00 O ATOM 1099 CB ALA A 68 3.449 12.131 2.981 1.00 0.00 C ATOM 0 H ALA A 68 2.253 11.881 5.101 1.00 0.00 H new ATOM 0 HA ALA A 68 1.545 11.333 2.464 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.815 12.097 1.955 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.051 13.124 3.192 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.269 11.916 3.666 1.00 0.00 H new ATOM 1105 N GLN A 69 3.814 9.229 3.603 1.00 0.00 N ATOM 1106 CA GLN A 69 4.369 7.899 3.411 1.00 0.00 C ATOM 1107 C GLN A 69 3.249 6.857 3.375 1.00 0.00 C ATOM 1108 O GLN A 69 3.094 6.141 2.387 1.00 0.00 O ATOM 1109 CB GLN A 69 5.391 7.569 4.501 1.00 0.00 C ATOM 1110 CG GLN A 69 6.496 6.660 3.959 1.00 0.00 C ATOM 1111 CD GLN A 69 7.793 6.844 4.749 1.00 0.00 C ATOM 1112 OE1 GLN A 69 7.794 7.167 5.925 1.00 0.00 O ATOM 1113 NE2 GLN A 69 8.895 6.620 4.039 1.00 0.00 N ATOM 0 H GLN A 69 4.248 9.768 4.352 1.00 0.00 H new ATOM 0 HA GLN A 69 4.889 7.878 2.453 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.829 8.490 4.885 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.891 7.081 5.338 1.00 0.00 H new ATOM 0 HG2 GLN A 69 6.176 5.619 4.015 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.672 6.883 2.907 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.824 6.352 3.057 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.812 6.716 4.476 1.00 0.00 H new ATOM 1122 N ALA A 70 2.498 6.805 4.465 1.00 0.00 N ATOM 1123 CA ALA A 70 1.397 5.862 4.571 1.00 0.00 C ATOM 1124 C ALA A 70 0.527 5.958 3.316 1.00 0.00 C ATOM 1125 O ALA A 70 -0.101 4.980 2.916 1.00 0.00 O ATOM 1126 CB ALA A 70 0.607 6.141 5.851 1.00 0.00 C ATOM 0 H ALA A 70 2.630 7.400 5.283 1.00 0.00 H new ATOM 0 HA ALA A 70 1.771 4.840 4.636 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.219 5.434 5.930 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.263 6.031 6.715 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.213 7.157 5.821 1.00 0.00 H new ATOM 1132 N CYS A 71 0.518 7.147 2.731 1.00 0.00 N ATOM 1133 CA CYS A 71 -0.265 7.384 1.530 1.00 0.00 C ATOM 1134 C CYS A 71 0.369 6.598 0.380 1.00 0.00 C ATOM 1135 O CYS A 71 -0.320 5.874 -0.336 1.00 0.00 O ATOM 1136 CB CYS A 71 -0.373 8.876 1.210 1.00 0.00 C ATOM 1137 SG CYS A 71 -2.119 9.322 0.887 1.00 0.00 S ATOM 0 H CYS A 71 1.040 7.956 3.066 1.00 0.00 H new ATOM 0 HA CYS A 71 -1.287 7.038 1.685 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.013 9.464 2.043 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.239 9.115 0.340 1.00 0.00 H new ATOM 0 HG CYS A 71 -2.200 10.591 0.619 1.00 0.00 H new ATOM 1143 N ALA A 72 1.676 6.768 0.240 1.00 0.00 N ATOM 1144 CA ALA A 72 2.411 6.084 -0.810 1.00 0.00 C ATOM 1145 C ALA A 72 2.380 4.577 -0.550 1.00 0.00 C ATOM 1146 O ALA A 72 1.734 3.829 -1.282 1.00 0.00 O ATOM 1147 CB ALA A 72 3.836 6.636 -0.878 1.00 0.00 C ATOM 0 H ALA A 72 2.244 7.369 0.836 1.00 0.00 H new ATOM 0 HA ALA A 72 1.947 6.260 -1.781 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.388 6.123 -1.666 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.803 7.704 -1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.334 6.475 0.078 1.00 0.00 H new ATOM 1153 N VAL A 73 3.088 4.175 0.496 1.00 0.00 N ATOM 1154 CA VAL A 73 3.150 2.771 0.863 1.00 0.00 C ATOM 1155 C VAL A 73 1.733 2.194 0.900 1.00 0.00 C ATOM 1156 O VAL A 73 1.529 1.020 0.595 1.00 0.00 O ATOM 1157 CB VAL A 73 3.896 2.608 2.189 1.00 0.00 C ATOM 1158 CG1 VAL A 73 5.373 2.977 2.035 1.00 0.00 C ATOM 1159 CG2 VAL A 73 3.237 3.436 3.294 1.00 0.00 C ATOM 0 H VAL A 73 3.624 4.798 1.101 1.00 0.00 H new ATOM 0 HA VAL A 73 3.712 2.207 0.118 1.00 0.00 H new ATOM 0 HB VAL A 73 3.841 1.559 2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.881 2.853 2.991 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.835 2.327 1.292 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.457 4.015 1.712 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.787 3.302 4.226 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.247 4.490 3.015 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.207 3.107 3.430 1.00 0.00 H new ATOM 1169 N GLY A 74 0.792 3.047 1.275 1.00 0.00 N ATOM 1170 CA GLY A 74 -0.600 2.637 1.356 1.00 0.00 C ATOM 1171 C GLY A 74 -1.147 2.277 -0.027 1.00 0.00 C ATOM 1172 O GLY A 74 -1.409 1.109 -0.309 1.00 0.00 O ATOM 0 H GLY A 74 0.966 4.020 1.526 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.692 1.779 2.022 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.195 3.441 1.788 1.00 0.00 H new ATOM 1176 N ALA A 75 -1.302 3.301 -0.852 1.00 0.00 N ATOM 1177 CA ALA A 75 -1.812 3.107 -2.199 1.00 0.00 C ATOM 1178 C ALA A 75 -1.202 1.836 -2.792 1.00 0.00 C ATOM 1179 O ALA A 75 -1.900 1.043 -3.422 1.00 0.00 O ATOM 1180 CB ALA A 75 -1.512 4.347 -3.042 1.00 0.00 C ATOM 0 H ALA A 75 -1.083 4.268 -0.614 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.894 2.977 -2.185 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.895 4.201 -4.052 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.993 5.217 -2.594 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.435 4.508 -3.082 1.00 0.00 H new ATOM 1186 N ILE A 76 0.095 1.681 -2.570 1.00 0.00 N ATOM 1187 CA ILE A 76 0.807 0.519 -3.075 1.00 0.00 C ATOM 1188 C ILE A 76 0.173 -0.751 -2.505 1.00 0.00 C ATOM 1189 O ILE A 76 -0.440 -1.525 -3.238 1.00 0.00 O ATOM 1190 CB ILE A 76 2.305 0.642 -2.786 1.00 0.00 C ATOM 1191 CG1 ILE A 76 2.918 1.815 -3.553 1.00 0.00 C ATOM 1192 CG2 ILE A 76 3.029 -0.674 -3.077 1.00 0.00 C ATOM 1193 CD1 ILE A 76 2.785 1.611 -5.064 1.00 0.00 C ATOM 0 H ILE A 76 0.671 2.341 -2.047 1.00 0.00 H new ATOM 0 HA ILE A 76 0.718 0.460 -4.160 1.00 0.00 H new ATOM 0 HB ILE A 76 2.431 0.852 -1.724 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.424 2.742 -3.263 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.970 1.918 -3.287 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.092 -0.560 -2.863 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.616 -1.463 -2.449 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.896 -0.938 -4.126 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.229 2.459 -5.586 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.301 0.696 -5.354 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.731 1.533 -5.329 1.00 0.00 H new ATOM 1205 N MET A 77 0.341 -0.925 -1.202 1.00 0.00 N ATOM 1206 CA MET A 77 -0.208 -2.087 -0.525 1.00 0.00 C ATOM 1207 C MET A 77 -1.660 -2.330 -0.942 1.00 0.00 C ATOM 1208 O MET A 77 -1.986 -3.383 -1.487 1.00 0.00 O ATOM 1209 CB MET A 77 -0.139 -1.876 0.988 1.00 0.00 C ATOM 1210 CG MET A 77 1.139 -2.485 1.569 1.00 0.00 C ATOM 1211 SD MET A 77 0.889 -4.219 1.910 1.00 0.00 S ATOM 1212 CE MET A 77 0.699 -4.163 3.684 1.00 0.00 C ATOM 0 H MET A 77 0.850 -0.280 -0.597 1.00 0.00 H new ATOM 0 HA MET A 77 0.381 -2.960 -0.806 1.00 0.00 H new ATOM 0 HB2 MET A 77 -0.172 -0.810 1.212 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.010 -2.329 1.462 1.00 0.00 H new ATOM 0 HG2 MET A 77 1.963 -2.359 0.867 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.417 -1.962 2.484 1.00 0.00 H new ATOM 0 HE1 MET A 77 0.533 -5.171 4.064 1.00 0.00 H new ATOM 0 HE2 MET A 77 1.602 -3.749 4.134 1.00 0.00 H new ATOM 0 HE3 MET A 77 -0.154 -3.534 3.939 1.00 0.00 H new ATOM 1222 N LEU A 78 -2.494 -1.337 -0.670 1.00 0.00 N ATOM 1223 CA LEU A 78 -3.903 -1.429 -1.010 1.00 0.00 C ATOM 1224 C LEU A 78 -4.051 -2.095 -2.379 1.00 0.00 C ATOM 1225 O LEU A 78 -4.801 -3.059 -2.526 1.00 0.00 O ATOM 1226 CB LEU A 78 -4.567 -0.053 -0.920 1.00 0.00 C ATOM 1227 CG LEU A 78 -5.703 0.080 0.096 1.00 0.00 C ATOM 1228 CD1 LEU A 78 -5.195 0.678 1.410 1.00 0.00 C ATOM 1229 CD2 LEU A 78 -6.869 0.881 -0.485 1.00 0.00 C ATOM 0 H LEU A 78 -2.220 -0.465 -0.218 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.428 -2.058 -0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.801 0.683 -0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.955 0.206 -1.905 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.079 -0.918 0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.022 0.762 2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.424 0.032 1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.777 1.667 1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.662 0.960 0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.525 1.879 -0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.252 0.376 -1.372 1.00 0.00 H new ATOM 1241 N GLY A 79 -3.324 -1.555 -3.346 1.00 0.00 N ATOM 1242 CA GLY A 79 -3.365 -2.085 -4.698 1.00 0.00 C ATOM 1243 C GLY A 79 -2.996 -3.570 -4.716 1.00 0.00 C ATOM 1244 O GLY A 79 -3.647 -4.367 -5.390 1.00 0.00 O ATOM 0 H GLY A 79 -2.703 -0.756 -3.220 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.363 -1.949 -5.116 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.676 -1.528 -5.332 1.00 0.00 H new ATOM 1248 N ALA A 80 -1.954 -3.897 -3.967 1.00 0.00 N ATOM 1249 CA ALA A 80 -1.491 -5.272 -3.888 1.00 0.00 C ATOM 1250 C ALA A 80 -2.603 -6.148 -3.309 1.00 0.00 C ATOM 1251 O ALA A 80 -3.121 -7.032 -3.991 1.00 0.00 O ATOM 1252 CB ALA A 80 -0.209 -5.332 -3.055 1.00 0.00 C ATOM 0 H ALA A 80 -1.417 -3.233 -3.409 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.253 -5.654 -4.881 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.138 -6.363 -2.996 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.559 -4.717 -3.524 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.410 -4.958 -2.051 1.00 0.00 H new ATOM 1258 N VAL A 81 -2.939 -5.873 -2.058 1.00 0.00 N ATOM 1259 CA VAL A 81 -3.981 -6.625 -1.380 1.00 0.00 C ATOM 1260 C VAL A 81 -5.206 -6.727 -2.291 1.00 0.00 C ATOM 1261 O VAL A 81 -5.876 -7.758 -2.325 1.00 0.00 O ATOM 1262 CB VAL A 81 -4.295 -5.982 -0.027 1.00 0.00 C ATOM 1263 CG1 VAL A 81 -4.741 -4.529 -0.201 1.00 0.00 C ATOM 1264 CG2 VAL A 81 -5.347 -6.792 0.734 1.00 0.00 C ATOM 0 H VAL A 81 -2.508 -5.139 -1.496 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.644 -7.641 -1.172 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.380 -5.982 0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.958 -4.096 0.775 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.946 -3.960 -0.682 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.637 -4.495 -0.820 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.552 -6.314 1.692 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.265 -6.838 0.148 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.975 -7.802 0.905 1.00 0.00 H new ATOM 1274 N TYR A 82 -5.462 -5.643 -3.009 1.00 0.00 N ATOM 1275 CA TYR A 82 -6.594 -5.597 -3.919 1.00 0.00 C ATOM 1276 C TYR A 82 -6.465 -6.664 -5.008 1.00 0.00 C ATOM 1277 O TYR A 82 -7.430 -7.362 -5.315 1.00 0.00 O ATOM 1278 CB TYR A 82 -6.556 -4.213 -4.569 1.00 0.00 C ATOM 1279 CG TYR A 82 -7.574 -3.227 -3.992 1.00 0.00 C ATOM 1280 CD1 TYR A 82 -7.596 -2.973 -2.636 1.00 0.00 C ATOM 1281 CD2 TYR A 82 -8.469 -2.591 -4.828 1.00 0.00 C ATOM 1282 CE1 TYR A 82 -8.553 -2.044 -2.093 1.00 0.00 C ATOM 1283 CE2 TYR A 82 -9.427 -1.662 -4.285 1.00 0.00 C ATOM 1284 CZ TYR A 82 -9.421 -1.435 -2.944 1.00 0.00 C ATOM 1285 OH TYR A 82 -10.326 -0.558 -2.431 1.00 0.00 O ATOM 0 H TYR A 82 -4.904 -4.789 -2.979 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.525 -5.781 -3.384 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.556 -3.796 -4.454 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.735 -4.320 -5.639 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.896 -3.471 -1.982 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -8.451 -2.790 -5.889 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -8.581 -1.836 -1.034 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.133 -1.158 -4.928 1.00 0.00 H new ATOM 0 HH TYR A 82 -10.880 -0.199 -3.155 1.00 0.00 H new ATOM 1295 N THR A 83 -5.265 -6.756 -5.563 1.00 0.00 N ATOM 1296 CA THR A 83 -4.998 -7.725 -6.611 1.00 0.00 C ATOM 1297 C THR A 83 -5.205 -9.148 -6.088 1.00 0.00 C ATOM 1298 O THR A 83 -5.866 -9.960 -6.733 1.00 0.00 O ATOM 1299 CB THR A 83 -3.585 -7.471 -7.140 1.00 0.00 C ATOM 1300 OG1 THR A 83 -3.712 -6.282 -7.915 1.00 0.00 O ATOM 1301 CG2 THR A 83 -3.139 -8.530 -8.152 1.00 0.00 C ATOM 0 H THR A 83 -4.467 -6.175 -5.306 1.00 0.00 H new ATOM 0 HA THR A 83 -5.696 -7.613 -7.440 1.00 0.00 H new ATOM 0 HB THR A 83 -2.884 -7.448 -6.305 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.718 -5.503 -7.320 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.130 -8.303 -8.496 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.149 -9.512 -7.679 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.821 -8.530 -9.003 1.00 0.00 H new ATOM 1309 N MET A 84 -4.627 -9.406 -4.924 1.00 0.00 N ATOM 1310 CA MET A 84 -4.739 -10.716 -4.307 1.00 0.00 C ATOM 1311 C MET A 84 -6.181 -11.000 -3.882 1.00 0.00 C ATOM 1312 O MET A 84 -6.853 -11.842 -4.475 1.00 0.00 O ATOM 1313 CB MET A 84 -3.823 -10.785 -3.083 1.00 0.00 C ATOM 1314 CG MET A 84 -2.627 -11.701 -3.345 1.00 0.00 C ATOM 1315 SD MET A 84 -1.736 -11.991 -1.825 1.00 0.00 S ATOM 1316 CE MET A 84 -0.336 -10.912 -2.076 1.00 0.00 C ATOM 0 H MET A 84 -4.080 -8.729 -4.392 1.00 0.00 H new ATOM 0 HA MET A 84 -4.440 -11.468 -5.038 1.00 0.00 H new ATOM 0 HB2 MET A 84 -3.471 -9.785 -2.831 1.00 0.00 H new ATOM 0 HB3 MET A 84 -4.385 -11.151 -2.224 1.00 0.00 H new ATOM 0 HG2 MET A 84 -2.968 -12.648 -3.763 1.00 0.00 H new ATOM 0 HG3 MET A 84 -1.966 -11.247 -4.083 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.328 -10.971 -1.214 1.00 0.00 H new ATOM 0 HE2 MET A 84 0.204 -11.219 -2.972 1.00 0.00 H new ATOM 0 HE3 MET A 84 -0.684 -9.886 -2.196 1.00 0.00 H new ATOM 1326 N TYR A 85 -6.615 -10.280 -2.857 1.00 0.00 N ATOM 1327 CA TYR A 85 -7.965 -10.444 -2.346 1.00 0.00 C ATOM 1328 C TYR A 85 -8.965 -10.630 -3.489 1.00 0.00 C ATOM 1329 O TYR A 85 -9.809 -11.524 -3.441 1.00 0.00 O ATOM 1330 CB TYR A 85 -8.295 -9.148 -1.602 1.00 0.00 C ATOM 1331 CG TYR A 85 -9.527 -9.245 -0.700 1.00 0.00 C ATOM 1332 CD1 TYR A 85 -9.414 -9.780 0.567 1.00 0.00 C ATOM 1333 CD2 TYR A 85 -10.751 -8.796 -1.154 1.00 0.00 C ATOM 1334 CE1 TYR A 85 -10.574 -9.870 1.416 1.00 0.00 C ATOM 1335 CE2 TYR A 85 -11.910 -8.887 -0.305 1.00 0.00 C ATOM 1336 CZ TYR A 85 -11.765 -9.419 0.938 1.00 0.00 C ATOM 1337 OH TYR A 85 -12.860 -9.505 1.740 1.00 0.00 O ATOM 0 H TYR A 85 -6.055 -9.582 -2.367 1.00 0.00 H new ATOM 0 HA TYR A 85 -8.028 -11.323 -1.704 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.436 -8.860 -0.996 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -8.452 -8.353 -2.331 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -8.456 -10.131 0.922 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -10.839 -8.377 -2.145 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -10.500 -10.286 2.410 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -12.874 -8.540 -0.648 1.00 0.00 H new ATOM 0 HH TYR A 85 -13.640 -9.145 1.269 1.00 0.00 H new ATOM 1347 N SER A 86 -8.838 -9.772 -4.490 1.00 0.00 N ATOM 1348 CA SER A 86 -9.720 -9.830 -5.643 1.00 0.00 C ATOM 1349 C SER A 86 -9.445 -11.102 -6.448 1.00 0.00 C ATOM 1350 O SER A 86 -10.375 -11.802 -6.847 1.00 0.00 O ATOM 1351 CB SER A 86 -9.552 -8.594 -6.529 1.00 0.00 C ATOM 1352 OG SER A 86 -10.586 -8.492 -7.504 1.00 0.00 O ATOM 0 H SER A 86 -8.137 -9.032 -4.527 1.00 0.00 H new ATOM 0 HA SER A 86 -10.749 -9.849 -5.285 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.551 -7.699 -5.907 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.585 -8.635 -7.029 1.00 0.00 H new ATOM 0 HG SER A 86 -10.444 -7.690 -8.049 1.00 0.00 H new ATOM 1358 N ASP A 87 -8.164 -11.362 -6.664 1.00 0.00 N ATOM 1359 CA ASP A 87 -7.755 -12.537 -7.414 1.00 0.00 C ATOM 1360 C ASP A 87 -8.403 -13.780 -6.801 1.00 0.00 C ATOM 1361 O ASP A 87 -8.626 -14.773 -7.491 1.00 0.00 O ATOM 1362 CB ASP A 87 -6.237 -12.721 -7.364 1.00 0.00 C ATOM 1363 CG ASP A 87 -5.731 -14.065 -7.892 1.00 0.00 C ATOM 1364 OD1 ASP A 87 -6.374 -14.701 -8.741 1.00 0.00 O ATOM 1365 OD2 ASP A 87 -4.611 -14.462 -7.389 1.00 0.00 O ATOM 0 H ASP A 87 -7.396 -10.779 -6.333 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.068 -12.402 -8.449 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.770 -11.922 -7.940 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.906 -12.605 -6.332 1.00 0.00 H new ATOM 1370 N TYR A 88 -8.685 -13.684 -5.510 1.00 0.00 N ATOM 1371 CA TYR A 88 -9.303 -14.789 -4.795 1.00 0.00 C ATOM 1372 C TYR A 88 -10.330 -15.504 -5.674 1.00 0.00 C ATOM 1373 O TYR A 88 -10.513 -16.715 -5.561 1.00 0.00 O ATOM 1374 CB TYR A 88 -10.020 -14.166 -3.596 1.00 0.00 C ATOM 1375 CG TYR A 88 -10.733 -15.182 -2.701 1.00 0.00 C ATOM 1376 CD1 TYR A 88 -10.034 -15.835 -1.706 1.00 0.00 C ATOM 1377 CD2 TYR A 88 -12.074 -15.447 -2.889 1.00 0.00 C ATOM 1378 CE1 TYR A 88 -10.705 -16.791 -0.863 1.00 0.00 C ATOM 1379 CE2 TYR A 88 -12.745 -16.403 -2.047 1.00 0.00 C ATOM 1380 CZ TYR A 88 -12.027 -17.028 -1.076 1.00 0.00 C ATOM 1381 OH TYR A 88 -12.660 -17.931 -0.280 1.00 0.00 O ATOM 0 H TYR A 88 -8.497 -12.859 -4.940 1.00 0.00 H new ATOM 0 HA TYR A 88 -8.553 -15.522 -4.499 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.294 -13.616 -2.997 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -10.749 -13.441 -3.958 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -8.984 -15.629 -1.559 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -12.621 -14.937 -3.668 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -10.170 -17.308 -0.080 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -13.794 -16.619 -2.184 1.00 0.00 H new ATOM 0 HH TYR A 88 -13.601 -17.998 -0.545 1.00 0.00 H new ATOM 1391 N VAL A 89 -10.975 -14.725 -6.530 1.00 0.00 N ATOM 1392 CA VAL A 89 -11.979 -15.269 -7.428 1.00 0.00 C ATOM 1393 C VAL A 89 -11.454 -16.565 -8.049 1.00 0.00 C ATOM 1394 O VAL A 89 -10.264 -16.862 -7.961 1.00 0.00 O ATOM 1395 CB VAL A 89 -12.370 -14.221 -8.473 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -11.466 -14.312 -9.704 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -13.843 -14.358 -8.862 1.00 0.00 C ATOM 0 H VAL A 89 -10.822 -13.721 -6.621 1.00 0.00 H new ATOM 0 HA VAL A 89 -12.888 -15.516 -6.879 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.232 -13.235 -8.028 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -11.765 -13.557 -10.431 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.431 -14.142 -9.409 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.558 -15.302 -10.150 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -14.095 -13.602 -9.606 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -14.018 -15.350 -9.279 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -14.467 -14.220 -7.979 1.00 0.00 H new