USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 417 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 19 SER OG : rot 180:sc= 0.0822 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.579 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 174:sc= -0.602 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 170:sc= 0.0621 USER MOD Single : A 35 GLN : amide:sc= -0.0116 X(o=-0.012,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 3:sc= -0.723 USER MOD Single : A 54 SER OG : rot 180:sc= 0.151 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -1:sc= 0.182 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 268 N VAL A 18 13.835 -1.589 4.517 1.00 0.00 N ATOM 269 CA VAL A 18 13.249 -1.809 5.834 1.00 0.00 C ATOM 270 C VAL A 18 14.264 -2.428 6.789 1.00 0.00 C ATOM 271 O VAL A 18 15.107 -3.229 6.383 1.00 0.00 O ATOM 272 CB VAL A 18 12.013 -2.726 5.752 1.00 0.00 C ATOM 273 CG1 VAL A 18 10.863 -2.014 5.059 1.00 0.00 C ATOM 274 CG2 VAL A 18 12.356 -4.023 5.037 1.00 0.00 C ATOM 0 HA VAL A 18 12.944 -0.833 6.213 1.00 0.00 H new ATOM 0 HB VAL A 18 11.698 -2.970 6.767 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.000 -2.678 5.011 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.600 -1.117 5.619 1.00 0.00 H new ATOM 0 HG13 VAL A 18 11.163 -1.736 4.049 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.471 -4.657 4.989 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.699 -3.802 4.026 1.00 0.00 H new ATOM 0 HG23 VAL A 18 13.145 -4.542 5.582 1.00 0.00 H new ATOM 284 N SER A 19 14.174 -2.055 8.062 1.00 0.00 N ATOM 285 CA SER A 19 15.081 -2.575 9.077 1.00 0.00 C ATOM 286 C SER A 19 14.801 -4.050 9.344 1.00 0.00 C ATOM 287 O SER A 19 13.846 -4.615 8.811 1.00 0.00 O ATOM 288 CB SER A 19 14.945 -1.773 10.373 1.00 0.00 C ATOM 289 OG SER A 19 13.611 -1.332 10.561 1.00 0.00 O ATOM 0 H SER A 19 13.481 -1.394 8.414 1.00 0.00 H new ATOM 0 HA SER A 19 16.101 -2.477 8.706 1.00 0.00 H new ATOM 0 HB2 SER A 19 15.251 -2.388 11.219 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.615 -0.914 10.345 1.00 0.00 H new ATOM 0 HG SER A 19 13.549 -0.823 11.396 1.00 0.00 H new ATOM 295 N PHE A 20 15.639 -4.671 10.169 1.00 0.00 N ATOM 296 CA PHE A 20 15.473 -6.081 10.498 1.00 0.00 C ATOM 297 C PHE A 20 15.443 -6.297 12.004 1.00 0.00 C ATOM 298 O PHE A 20 16.014 -5.517 12.767 1.00 0.00 O ATOM 299 CB PHE A 20 16.596 -6.912 9.871 1.00 0.00 C ATOM 300 CG PHE A 20 16.253 -7.470 8.517 1.00 0.00 C ATOM 301 CD1 PHE A 20 14.935 -7.728 8.170 1.00 0.00 C ATOM 302 CD2 PHE A 20 17.248 -7.737 7.593 1.00 0.00 C ATOM 303 CE1 PHE A 20 14.620 -8.240 6.928 1.00 0.00 C ATOM 304 CE2 PHE A 20 16.939 -8.250 6.348 1.00 0.00 C ATOM 305 CZ PHE A 20 15.623 -8.502 6.015 1.00 0.00 C ATOM 0 H PHE A 20 16.436 -4.222 10.620 1.00 0.00 H new ATOM 0 HA PHE A 20 14.517 -6.408 10.089 1.00 0.00 H new ATOM 0 HB2 PHE A 20 17.489 -6.292 9.783 1.00 0.00 H new ATOM 0 HB3 PHE A 20 16.844 -7.735 10.541 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.147 -7.526 8.880 1.00 0.00 H new ATOM 0 HD2 PHE A 20 18.279 -7.542 7.848 1.00 0.00 H new ATOM 0 HE1 PHE A 20 13.590 -8.436 6.670 1.00 0.00 H new ATOM 0 HE2 PHE A 20 17.726 -8.454 5.636 1.00 0.00 H new ATOM 0 HZ PHE A 20 15.378 -8.903 5.043 1.00 0.00 H new ATOM 315 N THR A 21 14.770 -7.363 12.427 1.00 0.00 N ATOM 316 CA THR A 21 14.662 -7.686 13.845 1.00 0.00 C ATOM 317 C THR A 21 14.364 -9.167 14.050 1.00 0.00 C ATOM 318 O THR A 21 14.079 -9.892 13.097 1.00 0.00 O ATOM 319 CB THR A 21 13.564 -6.851 14.530 1.00 0.00 C ATOM 320 OG1 THR A 21 13.305 -7.357 15.846 1.00 0.00 O ATOM 321 CG2 THR A 21 12.279 -6.870 13.715 1.00 0.00 C ATOM 0 H THR A 21 14.292 -8.017 11.808 1.00 0.00 H new ATOM 0 HA THR A 21 15.624 -7.446 14.298 1.00 0.00 H new ATOM 0 HB THR A 21 13.918 -5.822 14.601 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.607 -6.817 16.272 1.00 0.00 H new ATOM 0 HG21 THR A 21 11.519 -6.273 14.220 1.00 0.00 H new ATOM 0 HG22 THR A 21 12.469 -6.454 12.726 1.00 0.00 H new ATOM 0 HG23 THR A 21 11.927 -7.897 13.615 1.00 0.00 H new ATOM 329 N GLY A 22 14.431 -9.609 15.301 1.00 0.00 N ATOM 330 CA GLY A 22 14.167 -11.002 15.612 1.00 0.00 C ATOM 331 C GLY A 22 15.388 -11.879 15.415 1.00 0.00 C ATOM 332 O GLY A 22 15.627 -12.803 16.192 1.00 0.00 O ATOM 0 H GLY A 22 14.664 -9.027 16.106 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.828 -11.083 16.645 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.356 -11.365 14.980 1.00 0.00 H new ATOM 336 N GLY A 23 16.161 -11.589 14.373 1.00 0.00 N ATOM 337 CA GLY A 23 17.354 -12.366 14.095 1.00 0.00 C ATOM 338 C GLY A 23 18.425 -12.179 15.152 1.00 0.00 C ATOM 339 O GLY A 23 18.261 -11.380 16.075 1.00 0.00 O ATOM 0 H GLY A 23 15.982 -10.829 13.716 1.00 0.00 H new ATOM 0 HA2 GLY A 23 17.090 -13.422 14.032 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.753 -12.078 13.122 1.00 0.00 H new ATOM 343 N LYS A 24 19.521 -12.916 15.017 1.00 0.00 N ATOM 344 CA LYS A 24 20.621 -12.828 15.970 1.00 0.00 C ATOM 345 C LYS A 24 21.848 -12.186 15.332 1.00 0.00 C ATOM 346 O LYS A 24 22.741 -12.880 14.844 1.00 0.00 O ATOM 347 CB LYS A 24 20.976 -14.219 16.500 1.00 0.00 C ATOM 348 CG LYS A 24 20.375 -14.524 17.861 1.00 0.00 C ATOM 349 CD LYS A 24 21.356 -14.225 18.984 1.00 0.00 C ATOM 350 CE LYS A 24 21.593 -15.446 19.857 1.00 0.00 C ATOM 351 NZ LYS A 24 20.786 -15.401 21.108 1.00 0.00 N ATOM 0 H LYS A 24 19.672 -13.580 14.258 1.00 0.00 H new ATOM 0 HA LYS A 24 20.298 -12.200 16.801 1.00 0.00 H new ATOM 0 HB2 LYS A 24 20.635 -14.968 15.786 1.00 0.00 H new ATOM 0 HB3 LYS A 24 22.060 -14.309 16.563 1.00 0.00 H new ATOM 0 HG2 LYS A 24 19.470 -13.933 18.001 1.00 0.00 H new ATOM 0 HG3 LYS A 24 20.081 -15.573 17.903 1.00 0.00 H new ATOM 0 HD2 LYS A 24 22.303 -13.889 18.561 1.00 0.00 H new ATOM 0 HD3 LYS A 24 20.973 -13.408 19.596 1.00 0.00 H new ATOM 0 HE2 LYS A 24 21.343 -16.347 19.296 1.00 0.00 H new ATOM 0 HE3 LYS A 24 22.651 -15.511 20.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 20.977 -16.252 21.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 21.042 -14.555 21.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 19.775 -15.365 20.868 1.00 0.00 H new ATOM 365 N ALA A 25 21.889 -10.857 15.342 1.00 0.00 N ATOM 366 CA ALA A 25 23.011 -10.124 14.768 1.00 0.00 C ATOM 367 C ALA A 25 24.307 -10.466 15.492 1.00 0.00 C ATOM 368 O ALA A 25 24.477 -10.137 16.667 1.00 0.00 O ATOM 369 CB ALA A 25 22.751 -8.625 14.825 1.00 0.00 C ATOM 0 H ALA A 25 21.159 -10.267 15.741 1.00 0.00 H new ATOM 0 HA ALA A 25 23.114 -10.420 13.724 1.00 0.00 H new ATOM 0 HB1 ALA A 25 23.598 -8.092 14.393 1.00 0.00 H new ATOM 0 HB2 ALA A 25 21.848 -8.391 14.261 1.00 0.00 H new ATOM 0 HB3 ALA A 25 22.620 -8.318 15.863 1.00 0.00 H new ATOM 375 N ILE A 26 25.220 -11.130 14.788 1.00 0.00 N ATOM 376 CA ILE A 26 26.498 -11.514 15.375 1.00 0.00 C ATOM 377 C ILE A 26 27.361 -10.288 15.647 1.00 0.00 C ATOM 378 O ILE A 26 28.413 -10.381 16.280 1.00 0.00 O ATOM 379 CB ILE A 26 27.276 -12.495 14.471 1.00 0.00 C ATOM 380 CG1 ILE A 26 27.820 -11.777 13.226 1.00 0.00 C ATOM 381 CG2 ILE A 26 26.393 -13.674 14.084 1.00 0.00 C ATOM 382 CD1 ILE A 26 26.839 -11.695 12.075 1.00 0.00 C ATOM 0 H ILE A 26 25.099 -11.412 13.815 1.00 0.00 H new ATOM 0 HA ILE A 26 26.273 -12.017 16.316 1.00 0.00 H new ATOM 0 HB ILE A 26 28.129 -12.879 15.031 1.00 0.00 H new ATOM 0 HG12 ILE A 26 28.119 -10.767 13.505 1.00 0.00 H new ATOM 0 HG13 ILE A 26 28.718 -12.293 12.887 1.00 0.00 H new ATOM 0 HG21 ILE A 26 26.956 -14.356 13.447 1.00 0.00 H new ATOM 0 HG22 ILE A 26 26.072 -14.199 14.984 1.00 0.00 H new ATOM 0 HG23 ILE A 26 25.518 -13.312 13.544 1.00 0.00 H new ATOM 0 HD11 ILE A 26 27.303 -11.174 11.238 1.00 0.00 H new ATOM 0 HD12 ILE A 26 26.557 -12.701 11.765 1.00 0.00 H new ATOM 0 HD13 ILE A 26 25.950 -11.151 12.393 1.00 0.00 H new ATOM 394 N SER A 27 26.899 -9.137 15.167 1.00 0.00 N ATOM 395 CA SER A 27 27.614 -7.880 15.353 1.00 0.00 C ATOM 396 C SER A 27 26.795 -6.714 14.821 1.00 0.00 C ATOM 397 O SER A 27 26.146 -6.820 13.780 1.00 0.00 O ATOM 398 CB SER A 27 28.975 -7.929 14.657 1.00 0.00 C ATOM 399 OG SER A 27 29.390 -6.636 14.254 1.00 0.00 O ATOM 0 H SER A 27 26.028 -9.050 14.644 1.00 0.00 H new ATOM 0 HA SER A 27 27.773 -7.734 16.421 1.00 0.00 H new ATOM 0 HB2 SER A 27 29.716 -8.358 15.331 1.00 0.00 H new ATOM 0 HB3 SER A 27 28.918 -8.583 13.787 1.00 0.00 H new ATOM 0 HG SER A 27 30.303 -6.681 13.900 1.00 0.00 H new ATOM 405 N GLU A 28 26.827 -5.603 15.543 1.00 0.00 N ATOM 406 CA GLU A 28 26.088 -4.412 15.148 1.00 0.00 C ATOM 407 C GLU A 28 27.003 -3.195 15.135 1.00 0.00 C ATOM 408 O GLU A 28 27.879 -3.055 15.988 1.00 0.00 O ATOM 409 CB GLU A 28 24.919 -4.170 16.104 1.00 0.00 C ATOM 410 CG GLU A 28 24.483 -5.409 16.870 1.00 0.00 C ATOM 411 CD GLU A 28 23.939 -5.084 18.246 1.00 0.00 C ATOM 412 OE1 GLU A 28 23.026 -4.237 18.338 1.00 0.00 O ATOM 413 OE2 GLU A 28 24.425 -5.676 19.233 1.00 0.00 O ATOM 0 H GLU A 28 27.358 -5.501 16.408 1.00 0.00 H new ATOM 0 HA GLU A 28 25.698 -4.570 14.142 1.00 0.00 H new ATOM 0 HB2 GLU A 28 25.200 -3.394 16.817 1.00 0.00 H new ATOM 0 HB3 GLU A 28 24.071 -3.789 15.536 1.00 0.00 H new ATOM 0 HG2 GLU A 28 23.720 -5.936 16.297 1.00 0.00 H new ATOM 0 HG3 GLU A 28 25.331 -6.087 16.970 1.00 0.00 H new ATOM 420 N ALA A 29 26.796 -2.318 14.161 1.00 0.00 N ATOM 421 CA ALA A 29 27.607 -1.113 14.039 1.00 0.00 C ATOM 422 C ALA A 29 26.746 0.142 14.103 1.00 0.00 C ATOM 423 O ALA A 29 26.133 0.535 13.112 1.00 0.00 O ATOM 424 CB ALA A 29 28.402 -1.142 12.743 1.00 0.00 C ATOM 0 H ALA A 29 26.076 -2.418 13.446 1.00 0.00 H new ATOM 0 HA ALA A 29 28.300 -1.088 14.880 1.00 0.00 H new ATOM 0 HB1 ALA A 29 29.003 -0.236 12.665 1.00 0.00 H new ATOM 0 HB2 ALA A 29 29.056 -2.014 12.737 1.00 0.00 H new ATOM 0 HB3 ALA A 29 27.717 -1.197 11.897 1.00 0.00 H new ATOM 430 N LYS A 30 26.707 0.769 15.275 1.00 0.00 N ATOM 431 CA LYS A 30 25.922 1.985 15.467 1.00 0.00 C ATOM 432 C LYS A 30 26.355 3.064 14.480 1.00 0.00 C ATOM 433 O LYS A 30 27.259 3.852 14.762 1.00 0.00 O ATOM 434 CB LYS A 30 26.073 2.495 16.901 1.00 0.00 C ATOM 435 CG LYS A 30 25.815 1.431 17.956 1.00 0.00 C ATOM 436 CD LYS A 30 25.042 1.994 19.138 1.00 0.00 C ATOM 437 CE LYS A 30 25.969 2.656 20.144 1.00 0.00 C ATOM 438 NZ LYS A 30 25.372 3.894 20.718 1.00 0.00 N ATOM 0 H LYS A 30 27.209 0.456 16.106 1.00 0.00 H new ATOM 0 HA LYS A 30 24.874 1.748 15.286 1.00 0.00 H new ATOM 0 HB2 LYS A 30 27.081 2.889 17.033 1.00 0.00 H new ATOM 0 HB3 LYS A 30 25.383 3.324 17.057 1.00 0.00 H new ATOM 0 HG2 LYS A 30 25.256 0.607 17.514 1.00 0.00 H new ATOM 0 HG3 LYS A 30 26.764 1.023 18.302 1.00 0.00 H new ATOM 0 HD2 LYS A 30 24.310 2.720 18.783 1.00 0.00 H new ATOM 0 HD3 LYS A 30 24.486 1.193 19.626 1.00 0.00 H new ATOM 0 HE2 LYS A 30 26.193 1.955 20.948 1.00 0.00 H new ATOM 0 HE3 LYS A 30 26.915 2.900 19.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 26.035 4.315 21.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 25.181 4.574 19.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 24.482 3.658 21.202 1.00 0.00 H new ATOM 452 N ALA A 31 25.709 3.091 13.319 1.00 0.00 N ATOM 453 CA ALA A 31 26.031 4.066 12.286 1.00 0.00 C ATOM 454 C ALA A 31 24.773 4.569 11.589 1.00 0.00 C ATOM 455 O ALA A 31 23.771 3.859 11.505 1.00 0.00 O ATOM 456 CB ALA A 31 26.984 3.454 11.272 1.00 0.00 C ATOM 0 H ALA A 31 24.958 2.447 13.071 1.00 0.00 H new ATOM 0 HA ALA A 31 26.514 4.919 12.763 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.219 4.190 10.503 1.00 0.00 H new ATOM 0 HB2 ALA A 31 27.902 3.148 11.774 1.00 0.00 H new ATOM 0 HB3 ALA A 31 26.515 2.585 10.811 1.00 0.00 H new ATOM 462 N ALA A 32 24.835 5.797 11.085 1.00 0.00 N ATOM 463 CA ALA A 32 23.704 6.397 10.389 1.00 0.00 C ATOM 464 C ALA A 32 23.819 6.192 8.882 1.00 0.00 C ATOM 465 O ALA A 32 22.945 6.608 8.120 1.00 0.00 O ATOM 466 CB ALA A 32 23.607 7.879 10.716 1.00 0.00 C ATOM 0 H ALA A 32 25.658 6.396 11.146 1.00 0.00 H new ATOM 0 HA ALA A 32 22.795 5.902 10.730 1.00 0.00 H new ATOM 0 HB1 ALA A 32 22.758 8.313 10.189 1.00 0.00 H new ATOM 0 HB2 ALA A 32 23.471 8.006 11.790 1.00 0.00 H new ATOM 0 HB3 ALA A 32 24.523 8.381 10.404 1.00 0.00 H new ATOM 472 N SER A 33 24.902 5.547 8.461 1.00 0.00 N ATOM 473 CA SER A 33 25.135 5.286 7.045 1.00 0.00 C ATOM 474 C SER A 33 25.591 3.847 6.828 1.00 0.00 C ATOM 475 O SER A 33 26.452 3.344 7.550 1.00 0.00 O ATOM 476 CB SER A 33 26.182 6.254 6.491 1.00 0.00 C ATOM 477 OG SER A 33 25.589 7.206 5.624 1.00 0.00 O ATOM 0 H SER A 33 25.632 5.195 9.080 1.00 0.00 H new ATOM 0 HA SER A 33 24.196 5.436 6.513 1.00 0.00 H new ATOM 0 HB2 SER A 33 26.679 6.767 7.314 1.00 0.00 H new ATOM 0 HB3 SER A 33 26.949 5.696 5.954 1.00 0.00 H new ATOM 0 HG SER A 33 26.279 7.814 5.285 1.00 0.00 H new ATOM 483 N SER A 34 25.006 3.190 5.831 1.00 0.00 N ATOM 484 CA SER A 34 25.348 1.808 5.518 1.00 0.00 C ATOM 485 C SER A 34 26.833 1.669 5.203 1.00 0.00 C ATOM 486 O SER A 34 27.443 0.639 5.493 1.00 0.00 O ATOM 487 CB SER A 34 24.520 1.316 4.333 1.00 0.00 C ATOM 488 OG SER A 34 23.244 1.930 4.311 1.00 0.00 O ATOM 0 H SER A 34 24.292 3.594 5.225 1.00 0.00 H new ATOM 0 HA SER A 34 25.123 1.199 6.393 1.00 0.00 H new ATOM 0 HB2 SER A 34 25.047 1.532 3.403 1.00 0.00 H new ATOM 0 HB3 SER A 34 24.405 0.234 4.390 1.00 0.00 H new ATOM 0 HG SER A 34 22.797 1.725 3.463 1.00 0.00 H new ATOM 494 N GLN A 35 27.405 2.709 4.607 1.00 0.00 N ATOM 495 CA GLN A 35 28.819 2.706 4.248 1.00 0.00 C ATOM 496 C GLN A 35 29.682 2.318 5.444 1.00 0.00 C ATOM 497 O GLN A 35 30.631 1.544 5.315 1.00 0.00 O ATOM 498 CB GLN A 35 29.229 4.085 3.720 1.00 0.00 C ATOM 499 CG GLN A 35 30.728 4.340 3.762 1.00 0.00 C ATOM 500 CD GLN A 35 31.097 5.491 4.677 1.00 0.00 C ATOM 501 OE1 GLN A 35 30.982 6.658 4.303 1.00 0.00 O ATOM 502 NE2 GLN A 35 31.544 5.167 5.885 1.00 0.00 N ATOM 0 H GLN A 35 26.911 3.567 4.362 1.00 0.00 H new ATOM 0 HA GLN A 35 28.974 1.965 3.464 1.00 0.00 H new ATOM 0 HB2 GLN A 35 28.882 4.188 2.692 1.00 0.00 H new ATOM 0 HB3 GLN A 35 28.723 4.853 4.306 1.00 0.00 H new ATOM 0 HG2 GLN A 35 31.237 3.436 4.097 1.00 0.00 H new ATOM 0 HG3 GLN A 35 31.085 4.552 2.754 1.00 0.00 H new ATOM 0 HE21 GLN A 35 31.623 4.186 6.153 1.00 0.00 H new ATOM 0 HE22 GLN A 35 31.808 5.899 6.544 1.00 0.00 H new ATOM 511 N ALA A 36 29.339 2.854 6.610 1.00 0.00 N ATOM 512 CA ALA A 36 30.075 2.558 7.832 1.00 0.00 C ATOM 513 C ALA A 36 29.924 1.090 8.208 1.00 0.00 C ATOM 514 O ALA A 36 30.876 0.449 8.654 1.00 0.00 O ATOM 515 CB ALA A 36 29.599 3.452 8.968 1.00 0.00 C ATOM 0 H ALA A 36 28.556 3.496 6.734 1.00 0.00 H new ATOM 0 HA ALA A 36 31.132 2.758 7.654 1.00 0.00 H new ATOM 0 HB1 ALA A 36 30.159 3.218 9.874 1.00 0.00 H new ATOM 0 HB2 ALA A 36 29.760 4.496 8.701 1.00 0.00 H new ATOM 0 HB3 ALA A 36 28.537 3.282 9.144 1.00 0.00 H new ATOM 521 N CYS A 37 28.721 0.561 8.014 1.00 0.00 N ATOM 522 CA CYS A 37 28.440 -0.835 8.321 1.00 0.00 C ATOM 523 C CYS A 37 29.168 -1.751 7.345 1.00 0.00 C ATOM 524 O CYS A 37 29.432 -2.916 7.646 1.00 0.00 O ATOM 525 CB CYS A 37 26.934 -1.103 8.262 1.00 0.00 C ATOM 526 SG CYS A 37 26.462 -2.806 8.701 1.00 0.00 S ATOM 0 H CYS A 37 27.924 1.080 7.645 1.00 0.00 H new ATOM 0 HA CYS A 37 28.795 -1.042 9.331 1.00 0.00 H new ATOM 0 HB2 CYS A 37 26.427 -0.412 8.935 1.00 0.00 H new ATOM 0 HB3 CYS A 37 26.577 -0.887 7.255 1.00 0.00 H new ATOM 531 N GLN A 38 29.493 -1.212 6.173 1.00 0.00 N ATOM 532 CA GLN A 38 30.195 -1.974 5.149 1.00 0.00 C ATOM 533 C GLN A 38 31.646 -2.207 5.553 1.00 0.00 C ATOM 534 O GLN A 38 32.156 -3.324 5.454 1.00 0.00 O ATOM 535 CB GLN A 38 30.139 -1.240 3.808 1.00 0.00 C ATOM 536 CG GLN A 38 28.738 -1.142 3.226 1.00 0.00 C ATOM 537 CD GLN A 38 28.406 -2.300 2.305 1.00 0.00 C ATOM 538 OE1 GLN A 38 28.978 -2.432 1.222 1.00 0.00 O ATOM 539 NE2 GLN A 38 27.477 -3.146 2.732 1.00 0.00 N ATOM 0 H GLN A 38 29.280 -0.250 5.910 1.00 0.00 H new ATOM 0 HA GLN A 38 29.702 -2.941 5.045 1.00 0.00 H new ATOM 0 HB2 GLN A 38 30.541 -0.235 3.936 1.00 0.00 H new ATOM 0 HB3 GLN A 38 30.784 -1.753 3.095 1.00 0.00 H new ATOM 0 HG2 GLN A 38 28.013 -1.110 4.039 1.00 0.00 H new ATOM 0 HG3 GLN A 38 28.642 -0.206 2.676 1.00 0.00 H new ATOM 0 HE21 GLN A 38 27.029 -2.998 3.636 1.00 0.00 H new ATOM 0 HE22 GLN A 38 27.211 -3.945 2.156 1.00 0.00 H new ATOM 548 N GLU A 39 32.304 -1.147 6.012 1.00 0.00 N ATOM 549 CA GLU A 39 33.695 -1.236 6.435 1.00 0.00 C ATOM 550 C GLU A 39 33.813 -2.023 7.735 1.00 0.00 C ATOM 551 O GLU A 39 34.765 -2.778 7.933 1.00 0.00 O ATOM 552 CB GLU A 39 34.278 0.164 6.616 1.00 0.00 C ATOM 553 CG GLU A 39 34.560 0.879 5.304 1.00 0.00 C ATOM 554 CD GLU A 39 36.039 0.927 4.970 1.00 0.00 C ATOM 555 OE1 GLU A 39 36.688 -0.140 4.999 1.00 0.00 O ATOM 556 OE2 GLU A 39 36.547 2.030 4.682 1.00 0.00 O ATOM 0 H GLU A 39 31.895 -0.217 6.100 1.00 0.00 H new ATOM 0 HA GLU A 39 34.258 -1.760 5.662 1.00 0.00 H new ATOM 0 HB2 GLU A 39 33.585 0.764 7.206 1.00 0.00 H new ATOM 0 HB3 GLU A 39 35.203 0.092 7.188 1.00 0.00 H new ATOM 0 HG2 GLU A 39 34.026 0.375 4.498 1.00 0.00 H new ATOM 0 HG3 GLU A 39 34.171 1.896 5.358 1.00 0.00 H new ATOM 563 N LEU A 40 32.833 -1.845 8.615 1.00 0.00 N ATOM 564 CA LEU A 40 32.816 -2.540 9.897 1.00 0.00 C ATOM 565 C LEU A 40 32.692 -4.046 9.686 1.00 0.00 C ATOM 566 O LEU A 40 33.543 -4.817 10.128 1.00 0.00 O ATOM 567 CB LEU A 40 31.655 -2.021 10.758 1.00 0.00 C ATOM 568 CG LEU A 40 31.403 -2.764 12.080 1.00 0.00 C ATOM 569 CD1 LEU A 40 30.406 -3.895 11.877 1.00 0.00 C ATOM 570 CD2 LEU A 40 32.700 -3.294 12.673 1.00 0.00 C ATOM 0 H LEU A 40 32.038 -1.224 8.463 1.00 0.00 H new ATOM 0 HA LEU A 40 33.754 -2.344 10.416 1.00 0.00 H new ATOM 0 HB2 LEU A 40 31.840 -0.971 10.985 1.00 0.00 H new ATOM 0 HB3 LEU A 40 30.743 -2.062 10.163 1.00 0.00 H new ATOM 0 HG LEU A 40 30.980 -2.051 12.787 1.00 0.00 H new ATOM 0 HD11 LEU A 40 30.241 -4.409 12.824 1.00 0.00 H new ATOM 0 HD12 LEU A 40 29.462 -3.487 11.516 1.00 0.00 H new ATOM 0 HD13 LEU A 40 30.800 -4.600 11.145 1.00 0.00 H new ATOM 0 HD21 LEU A 40 32.487 -3.814 13.607 1.00 0.00 H new ATOM 0 HD22 LEU A 40 33.165 -3.985 11.971 1.00 0.00 H new ATOM 0 HD23 LEU A 40 33.378 -2.463 12.867 1.00 0.00 H new ATOM 582 N CYS A 41 31.626 -4.454 9.007 1.00 0.00 N ATOM 583 CA CYS A 41 31.386 -5.865 8.736 1.00 0.00 C ATOM 584 C CYS A 41 32.530 -6.466 7.924 1.00 0.00 C ATOM 585 O CYS A 41 32.795 -7.666 8.004 1.00 0.00 O ATOM 586 CB CYS A 41 30.062 -6.037 7.992 1.00 0.00 C ATOM 587 SG CYS A 41 30.069 -7.370 6.749 1.00 0.00 S ATOM 0 H CYS A 41 30.914 -3.826 8.634 1.00 0.00 H new ATOM 0 HA CYS A 41 31.331 -6.393 9.688 1.00 0.00 H new ATOM 0 HB2 CYS A 41 29.274 -6.237 8.718 1.00 0.00 H new ATOM 0 HB3 CYS A 41 29.811 -5.098 7.499 1.00 0.00 H new ATOM 592 N GLU A 42 33.205 -5.626 7.145 1.00 0.00 N ATOM 593 CA GLU A 42 34.320 -6.076 6.321 1.00 0.00 C ATOM 594 C GLU A 42 35.470 -6.567 7.197 1.00 0.00 C ATOM 595 O GLU A 42 36.177 -7.510 6.840 1.00 0.00 O ATOM 596 CB GLU A 42 34.789 -4.942 5.400 1.00 0.00 C ATOM 597 CG GLU A 42 36.292 -4.702 5.421 1.00 0.00 C ATOM 598 CD GLU A 42 36.790 -4.010 4.166 1.00 0.00 C ATOM 599 OE1 GLU A 42 36.189 -2.987 3.775 1.00 0.00 O ATOM 600 OE2 GLU A 42 37.779 -4.492 3.576 1.00 0.00 O ATOM 0 H GLU A 42 32.999 -4.630 7.068 1.00 0.00 H new ATOM 0 HA GLU A 42 33.983 -6.908 5.703 1.00 0.00 H new ATOM 0 HB2 GLU A 42 34.483 -5.168 4.379 1.00 0.00 H new ATOM 0 HB3 GLU A 42 34.281 -4.022 5.688 1.00 0.00 H new ATOM 0 HG2 GLU A 42 36.547 -4.097 6.291 1.00 0.00 H new ATOM 0 HG3 GLU A 42 36.807 -5.656 5.534 1.00 0.00 H new ATOM 607 N LYS A 43 35.648 -5.921 8.344 1.00 0.00 N ATOM 608 CA LYS A 43 36.709 -6.288 9.274 1.00 0.00 C ATOM 609 C LYS A 43 36.352 -7.565 10.030 1.00 0.00 C ATOM 610 O LYS A 43 37.176 -8.116 10.759 1.00 0.00 O ATOM 611 CB LYS A 43 36.964 -5.149 10.262 1.00 0.00 C ATOM 612 CG LYS A 43 37.720 -3.977 9.657 1.00 0.00 C ATOM 613 CD LYS A 43 38.964 -3.641 10.462 1.00 0.00 C ATOM 614 CE LYS A 43 40.197 -3.567 9.576 1.00 0.00 C ATOM 615 NZ LYS A 43 41.425 -4.001 10.296 1.00 0.00 N ATOM 0 H LYS A 43 35.070 -5.139 8.652 1.00 0.00 H new ATOM 0 HA LYS A 43 37.617 -6.471 8.699 1.00 0.00 H new ATOM 0 HB2 LYS A 43 36.009 -4.794 10.649 1.00 0.00 H new ATOM 0 HB3 LYS A 43 37.528 -5.535 11.111 1.00 0.00 H new ATOM 0 HG2 LYS A 43 38.002 -4.215 8.632 1.00 0.00 H new ATOM 0 HG3 LYS A 43 37.067 -3.105 9.613 1.00 0.00 H new ATOM 0 HD2 LYS A 43 38.823 -2.688 10.971 1.00 0.00 H new ATOM 0 HD3 LYS A 43 39.114 -4.396 11.234 1.00 0.00 H new ATOM 0 HE2 LYS A 43 40.051 -4.195 8.697 1.00 0.00 H new ATOM 0 HE3 LYS A 43 40.327 -2.545 9.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 42.243 -3.936 9.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 41.580 -3.386 11.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 41.312 -4.985 10.614 1.00 0.00 H new ATOM 629 N ASP A 44 35.119 -8.028 9.848 1.00 0.00 N ATOM 630 CA ASP A 44 34.652 -9.240 10.512 1.00 0.00 C ATOM 631 C ASP A 44 34.861 -10.462 9.624 1.00 0.00 C ATOM 632 O ASP A 44 35.133 -10.335 8.430 1.00 0.00 O ATOM 633 CB ASP A 44 33.172 -9.107 10.878 1.00 0.00 C ATOM 634 CG ASP A 44 32.758 -10.071 11.972 1.00 0.00 C ATOM 635 OD1 ASP A 44 33.441 -10.111 13.018 1.00 0.00 O ATOM 636 OD2 ASP A 44 31.753 -10.787 11.783 1.00 0.00 O ATOM 0 H ASP A 44 34.426 -7.583 9.247 1.00 0.00 H new ATOM 0 HA ASP A 44 35.234 -9.373 11.424 1.00 0.00 H new ATOM 0 HB2 ASP A 44 32.971 -8.086 11.202 1.00 0.00 H new ATOM 0 HB3 ASP A 44 32.564 -9.285 9.991 1.00 0.00 H new ATOM 641 N ALA A 45 34.731 -11.646 10.215 1.00 0.00 N ATOM 642 CA ALA A 45 34.904 -12.892 9.477 1.00 0.00 C ATOM 643 C ALA A 45 33.688 -13.798 9.636 1.00 0.00 C ATOM 644 O ALA A 45 33.752 -14.995 9.355 1.00 0.00 O ATOM 645 CB ALA A 45 36.163 -13.608 9.943 1.00 0.00 C ATOM 0 H ALA A 45 34.507 -11.768 11.202 1.00 0.00 H new ATOM 0 HA ALA A 45 35.006 -12.649 8.419 1.00 0.00 H new ATOM 0 HB1 ALA A 45 36.281 -14.537 9.385 1.00 0.00 H new ATOM 0 HB2 ALA A 45 37.029 -12.969 9.772 1.00 0.00 H new ATOM 0 HB3 ALA A 45 36.082 -13.832 11.007 1.00 0.00 H new ATOM 651 N LYS A 46 32.580 -13.219 10.089 1.00 0.00 N ATOM 652 CA LYS A 46 31.348 -13.972 10.287 1.00 0.00 C ATOM 653 C LYS A 46 30.150 -13.199 9.749 1.00 0.00 C ATOM 654 O LYS A 46 29.001 -13.575 9.979 1.00 0.00 O ATOM 655 CB LYS A 46 31.145 -14.275 11.770 1.00 0.00 C ATOM 656 CG LYS A 46 31.842 -15.545 12.233 1.00 0.00 C ATOM 657 CD LYS A 46 30.961 -16.767 12.034 1.00 0.00 C ATOM 658 CE LYS A 46 30.549 -17.378 13.364 1.00 0.00 C ATOM 659 NZ LYS A 46 31.237 -18.675 13.617 1.00 0.00 N ATOM 0 H LYS A 46 32.511 -12.229 10.326 1.00 0.00 H new ATOM 0 HA LYS A 46 31.432 -14.910 9.739 1.00 0.00 H new ATOM 0 HB2 LYS A 46 31.513 -13.434 12.358 1.00 0.00 H new ATOM 0 HB3 LYS A 46 30.077 -14.362 11.972 1.00 0.00 H new ATOM 0 HG2 LYS A 46 32.773 -15.672 11.681 1.00 0.00 H new ATOM 0 HG3 LYS A 46 32.106 -15.453 13.286 1.00 0.00 H new ATOM 0 HD2 LYS A 46 30.071 -16.488 11.469 1.00 0.00 H new ATOM 0 HD3 LYS A 46 31.495 -17.509 11.441 1.00 0.00 H new ATOM 0 HE2 LYS A 46 30.779 -16.682 14.170 1.00 0.00 H new ATOM 0 HE3 LYS A 46 29.470 -17.532 13.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 30.929 -19.058 14.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 30.997 -19.348 12.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 32.266 -18.525 13.633 1.00 0.00 H new ATOM 673 N CYS A 47 30.428 -12.115 9.034 1.00 0.00 N ATOM 674 CA CYS A 47 29.374 -11.285 8.465 1.00 0.00 C ATOM 675 C CYS A 47 29.080 -11.677 7.021 1.00 0.00 C ATOM 676 O CYS A 47 29.783 -11.263 6.099 1.00 0.00 O ATOM 677 CB CYS A 47 29.768 -9.809 8.529 1.00 0.00 C ATOM 678 SG CYS A 47 28.746 -8.722 7.483 1.00 0.00 S ATOM 0 H CYS A 47 31.374 -11.791 8.835 1.00 0.00 H new ATOM 0 HA CYS A 47 28.471 -11.444 9.055 1.00 0.00 H new ATOM 0 HB2 CYS A 47 29.700 -9.470 9.563 1.00 0.00 H new ATOM 0 HB3 CYS A 47 30.811 -9.709 8.229 1.00 0.00 H new ATOM 683 N ARG A 48 28.028 -12.468 6.831 1.00 0.00 N ATOM 684 CA ARG A 48 27.633 -12.903 5.497 1.00 0.00 C ATOM 685 C ARG A 48 26.663 -11.901 4.882 1.00 0.00 C ATOM 686 O ARG A 48 26.584 -11.761 3.661 1.00 0.00 O ATOM 687 CB ARG A 48 26.988 -14.290 5.557 1.00 0.00 C ATOM 688 CG ARG A 48 27.954 -15.392 5.958 1.00 0.00 C ATOM 689 CD ARG A 48 27.460 -16.758 5.509 1.00 0.00 C ATOM 690 NE ARG A 48 28.543 -17.735 5.431 1.00 0.00 N ATOM 691 CZ ARG A 48 29.397 -17.810 4.415 1.00 0.00 C ATOM 692 NH1 ARG A 48 29.295 -16.968 3.395 1.00 0.00 N ATOM 693 NH2 ARG A 48 30.356 -18.725 4.420 1.00 0.00 N ATOM 0 H ARG A 48 27.435 -12.820 7.583 1.00 0.00 H new ATOM 0 HA ARG A 48 28.525 -12.959 4.873 1.00 0.00 H new ATOM 0 HB2 ARG A 48 26.161 -14.267 6.267 1.00 0.00 H new ATOM 0 HB3 ARG A 48 26.564 -14.527 4.581 1.00 0.00 H new ATOM 0 HG2 ARG A 48 28.933 -15.196 5.520 1.00 0.00 H new ATOM 0 HG3 ARG A 48 28.083 -15.388 7.040 1.00 0.00 H new ATOM 0 HD2 ARG A 48 26.700 -17.115 6.204 1.00 0.00 H new ATOM 0 HD3 ARG A 48 26.983 -16.668 4.533 1.00 0.00 H new ATOM 0 HE ARG A 48 28.650 -18.397 6.199 1.00 0.00 H new ATOM 0 HH11 ARG A 48 28.560 -16.261 3.389 1.00 0.00 H new ATOM 0 HH12 ARG A 48 29.952 -17.028 2.617 1.00 0.00 H new ATOM 0 HH21 ARG A 48 30.439 -19.372 5.204 1.00 0.00 H new ATOM 0 HH22 ARG A 48 31.011 -18.782 3.640 1.00 0.00 H new ATOM 707 N PHE A 49 25.932 -11.201 5.745 1.00 0.00 N ATOM 708 CA PHE A 49 24.967 -10.199 5.307 1.00 0.00 C ATOM 709 C PHE A 49 25.003 -8.987 6.233 1.00 0.00 C ATOM 710 O PHE A 49 25.636 -9.024 7.288 1.00 0.00 O ATOM 711 CB PHE A 49 23.556 -10.791 5.281 1.00 0.00 C ATOM 712 CG PHE A 49 23.436 -12.028 4.436 1.00 0.00 C ATOM 713 CD1 PHE A 49 23.250 -11.931 3.067 1.00 0.00 C ATOM 714 CD2 PHE A 49 23.507 -13.286 5.013 1.00 0.00 C ATOM 715 CE1 PHE A 49 23.138 -13.067 2.287 1.00 0.00 C ATOM 716 CE2 PHE A 49 23.396 -14.425 4.238 1.00 0.00 C ATOM 717 CZ PHE A 49 23.212 -14.315 2.874 1.00 0.00 C ATOM 0 H PHE A 49 25.991 -11.311 6.757 1.00 0.00 H new ATOM 0 HA PHE A 49 25.235 -9.883 4.299 1.00 0.00 H new ATOM 0 HB2 PHE A 49 23.252 -11.027 6.301 1.00 0.00 H new ATOM 0 HB3 PHE A 49 22.862 -10.038 4.908 1.00 0.00 H new ATOM 0 HD1 PHE A 49 23.192 -10.957 2.604 1.00 0.00 H new ATOM 0 HD2 PHE A 49 23.651 -13.377 6.080 1.00 0.00 H new ATOM 0 HE1 PHE A 49 22.993 -12.979 1.220 1.00 0.00 H new ATOM 0 HE2 PHE A 49 23.453 -15.400 4.699 1.00 0.00 H new ATOM 0 HZ PHE A 49 23.126 -15.204 2.267 1.00 0.00 H new ATOM 727 N PHE A 50 24.323 -7.916 5.837 1.00 0.00 N ATOM 728 CA PHE A 50 24.284 -6.700 6.641 1.00 0.00 C ATOM 729 C PHE A 50 22.923 -6.017 6.532 1.00 0.00 C ATOM 730 O PHE A 50 22.218 -6.171 5.535 1.00 0.00 O ATOM 731 CB PHE A 50 25.403 -5.742 6.215 1.00 0.00 C ATOM 732 CG PHE A 50 24.988 -4.735 5.179 1.00 0.00 C ATOM 733 CD1 PHE A 50 24.832 -5.107 3.853 1.00 0.00 C ATOM 734 CD2 PHE A 50 24.754 -3.417 5.533 1.00 0.00 C ATOM 735 CE1 PHE A 50 24.452 -4.183 2.899 1.00 0.00 C ATOM 736 CE2 PHE A 50 24.373 -2.486 4.584 1.00 0.00 C ATOM 737 CZ PHE A 50 24.222 -2.870 3.266 1.00 0.00 C ATOM 0 H PHE A 50 23.793 -7.865 4.967 1.00 0.00 H new ATOM 0 HA PHE A 50 24.440 -6.976 7.684 1.00 0.00 H new ATOM 0 HB2 PHE A 50 25.768 -5.212 7.095 1.00 0.00 H new ATOM 0 HB3 PHE A 50 26.237 -6.325 5.825 1.00 0.00 H new ATOM 0 HD1 PHE A 50 25.010 -6.132 3.562 1.00 0.00 H new ATOM 0 HD2 PHE A 50 24.870 -3.112 6.563 1.00 0.00 H new ATOM 0 HE1 PHE A 50 24.335 -4.486 1.869 1.00 0.00 H new ATOM 0 HE2 PHE A 50 24.194 -1.461 4.873 1.00 0.00 H new ATOM 0 HZ PHE A 50 23.924 -2.145 2.523 1.00 0.00 H new ATOM 747 N THR A 51 22.562 -5.264 7.567 1.00 0.00 N ATOM 748 CA THR A 51 21.286 -4.560 7.592 1.00 0.00 C ATOM 749 C THR A 51 21.357 -3.320 8.480 1.00 0.00 C ATOM 750 O THR A 51 21.321 -3.419 9.707 1.00 0.00 O ATOM 751 CB THR A 51 20.153 -5.481 8.087 1.00 0.00 C ATOM 752 OG1 THR A 51 19.934 -6.533 7.140 1.00 0.00 O ATOM 753 CG2 THR A 51 18.861 -4.702 8.291 1.00 0.00 C ATOM 0 H THR A 51 23.136 -5.126 8.399 1.00 0.00 H new ATOM 0 HA THR A 51 21.070 -4.250 6.569 1.00 0.00 H new ATOM 0 HB THR A 51 20.454 -5.904 9.045 1.00 0.00 H new ATOM 0 HG1 THR A 51 20.582 -6.455 6.409 1.00 0.00 H new ATOM 0 HG21 THR A 51 18.080 -5.378 8.640 1.00 0.00 H new ATOM 0 HG22 THR A 51 19.021 -3.919 9.032 1.00 0.00 H new ATOM 0 HG23 THR A 51 18.555 -4.251 7.347 1.00 0.00 H new ATOM 761 N LEU A 52 21.460 -2.154 7.848 1.00 0.00 N ATOM 762 CA LEU A 52 21.537 -0.891 8.575 1.00 0.00 C ATOM 763 C LEU A 52 20.145 -0.302 8.792 1.00 0.00 C ATOM 764 O LEU A 52 19.180 -0.713 8.147 1.00 0.00 O ATOM 765 CB LEU A 52 22.413 0.105 7.811 1.00 0.00 C ATOM 766 CG LEU A 52 22.766 1.383 8.577 1.00 0.00 C ATOM 767 CD1 LEU A 52 24.261 1.445 8.850 1.00 0.00 C ATOM 768 CD2 LEU A 52 22.311 2.611 7.804 1.00 0.00 C ATOM 0 H LEU A 52 21.492 -2.058 6.833 1.00 0.00 H new ATOM 0 HA LEU A 52 21.984 -1.086 9.550 1.00 0.00 H new ATOM 0 HB2 LEU A 52 23.338 -0.395 7.524 1.00 0.00 H new ATOM 0 HB3 LEU A 52 21.901 0.382 6.889 1.00 0.00 H new ATOM 0 HG LEU A 52 22.243 1.367 9.533 1.00 0.00 H new ATOM 0 HD11 LEU A 52 24.494 2.360 9.395 1.00 0.00 H new ATOM 0 HD12 LEU A 52 24.558 0.582 9.446 1.00 0.00 H new ATOM 0 HD13 LEU A 52 24.804 1.438 7.905 1.00 0.00 H new ATOM 0 HD21 LEU A 52 22.570 3.510 8.364 1.00 0.00 H new ATOM 0 HD22 LEU A 52 22.805 2.633 6.833 1.00 0.00 H new ATOM 0 HD23 LEU A 52 21.231 2.571 7.661 1.00 0.00 H new ATOM 780 N ALA A 53 20.049 0.660 9.705 1.00 0.00 N ATOM 781 CA ALA A 53 18.777 1.304 10.007 1.00 0.00 C ATOM 782 C ALA A 53 18.932 2.820 10.079 1.00 0.00 C ATOM 783 O ALA A 53 19.902 3.379 9.567 1.00 0.00 O ATOM 784 CB ALA A 53 18.210 0.765 11.312 1.00 0.00 C ATOM 0 H ALA A 53 20.838 1.010 10.248 1.00 0.00 H new ATOM 0 HA ALA A 53 18.081 1.075 9.200 1.00 0.00 H new ATOM 0 HB1 ALA A 53 17.260 1.255 11.526 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.053 -0.310 11.224 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.911 0.964 12.123 1.00 0.00 H new ATOM 790 N SER A 54 17.969 3.477 10.717 1.00 0.00 N ATOM 791 CA SER A 54 17.993 4.930 10.858 1.00 0.00 C ATOM 792 C SER A 54 19.307 5.399 11.478 1.00 0.00 C ATOM 793 O SER A 54 19.771 6.507 11.205 1.00 0.00 O ATOM 794 CB SER A 54 16.816 5.400 11.716 1.00 0.00 C ATOM 795 OG SER A 54 16.066 4.301 12.200 1.00 0.00 O ATOM 0 H SER A 54 17.161 3.026 11.146 1.00 0.00 H new ATOM 0 HA SER A 54 17.907 5.366 9.863 1.00 0.00 H new ATOM 0 HB2 SER A 54 17.186 5.989 12.555 1.00 0.00 H new ATOM 0 HB3 SER A 54 16.171 6.053 11.128 1.00 0.00 H new ATOM 0 HG SER A 54 15.321 4.628 12.746 1.00 0.00 H new ATOM 801 N GLY A 55 19.899 4.552 12.313 1.00 0.00 N ATOM 802 CA GLY A 55 21.152 4.899 12.957 1.00 0.00 C ATOM 803 C GLY A 55 21.780 3.723 13.678 1.00 0.00 C ATOM 804 O GLY A 55 22.402 3.890 14.727 1.00 0.00 O ATOM 0 H GLY A 55 19.533 3.631 12.555 1.00 0.00 H new ATOM 0 HA2 GLY A 55 21.849 5.276 12.209 1.00 0.00 H new ATOM 0 HA3 GLY A 55 20.980 5.707 13.668 1.00 0.00 H new ATOM 808 N LYS A 56 21.619 2.532 13.112 1.00 0.00 N ATOM 809 CA LYS A 56 22.175 1.321 13.705 1.00 0.00 C ATOM 810 C LYS A 56 22.292 0.211 12.668 1.00 0.00 C ATOM 811 O LYS A 56 21.316 -0.143 12.008 1.00 0.00 O ATOM 812 CB LYS A 56 21.304 0.853 14.871 1.00 0.00 C ATOM 813 CG LYS A 56 22.100 0.472 16.108 1.00 0.00 C ATOM 814 CD LYS A 56 21.278 0.649 17.376 1.00 0.00 C ATOM 815 CE LYS A 56 21.630 1.942 18.092 1.00 0.00 C ATOM 816 NZ LYS A 56 20.701 3.048 17.732 1.00 0.00 N ATOM 0 H LYS A 56 21.108 2.379 12.243 1.00 0.00 H new ATOM 0 HA LYS A 56 23.173 1.554 14.076 1.00 0.00 H new ATOM 0 HB2 LYS A 56 20.602 1.645 15.130 1.00 0.00 H new ATOM 0 HB3 LYS A 56 20.713 -0.005 14.551 1.00 0.00 H new ATOM 0 HG2 LYS A 56 22.427 -0.565 16.027 1.00 0.00 H new ATOM 0 HG3 LYS A 56 22.999 1.086 16.167 1.00 0.00 H new ATOM 0 HD2 LYS A 56 20.217 0.647 17.126 1.00 0.00 H new ATOM 0 HD3 LYS A 56 21.450 -0.196 18.043 1.00 0.00 H new ATOM 0 HE2 LYS A 56 21.601 1.780 19.169 1.00 0.00 H new ATOM 0 HE3 LYS A 56 22.651 2.229 17.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 20.976 3.912 18.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 20.747 3.221 16.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 19.730 2.785 17.995 1.00 0.00 H new ATOM 830 N CYS A 57 23.495 -0.338 12.534 1.00 0.00 N ATOM 831 CA CYS A 57 23.744 -1.412 11.580 1.00 0.00 C ATOM 832 C CYS A 57 23.729 -2.767 12.280 1.00 0.00 C ATOM 833 O CYS A 57 24.000 -2.861 13.476 1.00 0.00 O ATOM 834 CB CYS A 57 25.086 -1.197 10.875 1.00 0.00 C ATOM 835 SG CYS A 57 26.092 -2.707 10.694 1.00 0.00 S ATOM 0 H CYS A 57 24.313 -0.056 13.074 1.00 0.00 H new ATOM 0 HA CYS A 57 22.949 -1.399 10.834 1.00 0.00 H new ATOM 0 HB2 CYS A 57 24.900 -0.778 9.886 1.00 0.00 H new ATOM 0 HB3 CYS A 57 25.661 -0.457 11.432 1.00 0.00 H new ATOM 840 N SER A 58 23.412 -3.812 11.525 1.00 0.00 N ATOM 841 CA SER A 58 23.364 -5.163 12.072 1.00 0.00 C ATOM 842 C SER A 58 23.668 -6.194 10.993 1.00 0.00 C ATOM 843 O SER A 58 22.908 -6.349 10.038 1.00 0.00 O ATOM 844 CB SER A 58 21.991 -5.441 12.684 1.00 0.00 C ATOM 845 OG SER A 58 21.736 -4.580 13.780 1.00 0.00 O ATOM 0 H SER A 58 23.184 -3.750 10.533 1.00 0.00 H new ATOM 0 HA SER A 58 24.123 -5.240 12.851 1.00 0.00 H new ATOM 0 HB2 SER A 58 21.218 -5.309 11.926 1.00 0.00 H new ATOM 0 HB3 SER A 58 21.940 -6.479 13.014 1.00 0.00 H new ATOM 0 HG SER A 58 22.508 -3.994 13.922 1.00 0.00 H new ATOM 851 N LEU A 59 24.781 -6.900 11.153 1.00 0.00 N ATOM 852 CA LEU A 59 25.178 -7.920 10.192 1.00 0.00 C ATOM 853 C LEU A 59 24.710 -9.296 10.650 1.00 0.00 C ATOM 854 O LEU A 59 24.689 -9.587 11.846 1.00 0.00 O ATOM 855 CB LEU A 59 26.698 -7.916 9.994 1.00 0.00 C ATOM 856 CG LEU A 59 27.504 -7.204 11.085 1.00 0.00 C ATOM 857 CD1 LEU A 59 28.833 -7.909 11.307 1.00 0.00 C ATOM 858 CD2 LEU A 59 27.727 -5.745 10.722 1.00 0.00 C ATOM 0 H LEU A 59 25.423 -6.785 11.937 1.00 0.00 H new ATOM 0 HA LEU A 59 24.705 -7.690 9.237 1.00 0.00 H new ATOM 0 HB2 LEU A 59 27.041 -8.949 9.929 1.00 0.00 H new ATOM 0 HB3 LEU A 59 26.921 -7.445 9.037 1.00 0.00 H new ATOM 0 HG LEU A 59 26.934 -7.240 12.013 1.00 0.00 H new ATOM 0 HD11 LEU A 59 29.394 -7.391 12.085 1.00 0.00 H new ATOM 0 HD12 LEU A 59 28.652 -8.939 11.615 1.00 0.00 H new ATOM 0 HD13 LEU A 59 29.407 -7.903 10.381 1.00 0.00 H new ATOM 0 HD21 LEU A 59 28.301 -5.258 11.510 1.00 0.00 H new ATOM 0 HD22 LEU A 59 28.276 -5.684 9.782 1.00 0.00 H new ATOM 0 HD23 LEU A 59 26.764 -5.246 10.613 1.00 0.00 H new ATOM 870 N PHE A 60 24.326 -10.136 9.695 1.00 0.00 N ATOM 871 CA PHE A 60 23.847 -11.478 10.006 1.00 0.00 C ATOM 872 C PHE A 60 24.540 -12.524 9.141 1.00 0.00 C ATOM 873 O PHE A 60 24.591 -12.399 7.918 1.00 0.00 O ATOM 874 CB PHE A 60 22.332 -11.557 9.809 1.00 0.00 C ATOM 875 CG PHE A 60 21.585 -10.417 10.441 1.00 0.00 C ATOM 876 CD1 PHE A 60 21.253 -10.453 11.785 1.00 0.00 C ATOM 877 CD2 PHE A 60 21.221 -9.309 9.694 1.00 0.00 C ATOM 878 CE1 PHE A 60 20.571 -9.403 12.372 1.00 0.00 C ATOM 879 CE2 PHE A 60 20.539 -8.256 10.275 1.00 0.00 C ATOM 880 CZ PHE A 60 20.214 -8.305 11.616 1.00 0.00 C ATOM 0 H PHE A 60 24.337 -9.912 8.700 1.00 0.00 H new ATOM 0 HA PHE A 60 24.085 -11.687 11.049 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.113 -11.577 8.741 1.00 0.00 H new ATOM 0 HB3 PHE A 60 21.968 -12.496 10.227 1.00 0.00 H new ATOM 0 HD1 PHE A 60 21.530 -11.310 12.381 1.00 0.00 H new ATOM 0 HD2 PHE A 60 21.473 -9.267 8.645 1.00 0.00 H new ATOM 0 HE1 PHE A 60 20.318 -9.442 13.421 1.00 0.00 H new ATOM 0 HE2 PHE A 60 20.261 -7.397 9.682 1.00 0.00 H new ATOM 0 HZ PHE A 60 19.681 -7.485 12.073 1.00 0.00 H new ATOM 890 N ALA A 61 25.071 -13.559 9.787 1.00 0.00 N ATOM 891 CA ALA A 61 25.761 -14.630 9.080 1.00 0.00 C ATOM 892 C ALA A 61 24.770 -15.540 8.363 1.00 0.00 C ATOM 893 O ALA A 61 24.583 -15.438 7.151 1.00 0.00 O ATOM 894 CB ALA A 61 26.614 -15.436 10.050 1.00 0.00 C ATOM 0 H ALA A 61 25.036 -13.677 10.800 1.00 0.00 H new ATOM 0 HA ALA A 61 26.410 -14.179 8.329 1.00 0.00 H new ATOM 0 HB1 ALA A 61 27.124 -16.233 9.510 1.00 0.00 H new ATOM 0 HB2 ALA A 61 27.352 -14.782 10.515 1.00 0.00 H new ATOM 0 HB3 ALA A 61 25.977 -15.870 10.821 1.00 0.00 H new ATOM 900 N ASP A 62 24.137 -16.427 9.122 1.00 0.00 N ATOM 901 CA ASP A 62 23.162 -17.356 8.564 1.00 0.00 C ATOM 902 C ASP A 62 22.233 -17.886 9.651 1.00 0.00 C ATOM 903 O ASP A 62 22.626 -18.726 10.461 1.00 0.00 O ATOM 904 CB ASP A 62 23.874 -18.521 7.872 1.00 0.00 C ATOM 905 CG ASP A 62 23.151 -18.979 6.621 1.00 0.00 C ATOM 906 OD1 ASP A 62 22.160 -19.729 6.749 1.00 0.00 O ATOM 907 OD2 ASP A 62 23.575 -18.589 5.513 1.00 0.00 O ATOM 0 H ASP A 62 24.282 -16.522 10.127 1.00 0.00 H new ATOM 0 HA ASP A 62 22.563 -16.818 7.829 1.00 0.00 H new ATOM 0 HB2 ASP A 62 24.889 -18.220 7.612 1.00 0.00 H new ATOM 0 HB3 ASP A 62 23.957 -19.357 8.567 1.00 0.00 H new ATOM 912 N ASP A 63 21.000 -17.391 9.662 1.00 0.00 N ATOM 913 CA ASP A 63 20.014 -17.814 10.650 1.00 0.00 C ATOM 914 C ASP A 63 18.604 -17.749 10.073 1.00 0.00 C ATOM 915 O ASP A 63 17.734 -18.535 10.448 1.00 0.00 O ATOM 916 CB ASP A 63 20.108 -16.938 11.900 1.00 0.00 C ATOM 917 CG ASP A 63 19.530 -17.614 13.127 1.00 0.00 C ATOM 918 OD1 ASP A 63 19.644 -18.854 13.231 1.00 0.00 O ATOM 919 OD2 ASP A 63 18.963 -16.906 13.984 1.00 0.00 O ATOM 0 H ASP A 63 20.659 -16.696 8.998 1.00 0.00 H new ATOM 0 HA ASP A 63 20.228 -18.848 10.922 1.00 0.00 H new ATOM 0 HB2 ASP A 63 21.152 -16.686 12.086 1.00 0.00 H new ATOM 0 HB3 ASP A 63 19.581 -16.001 11.723 1.00 0.00 H new ATOM 924 N ALA A 64 18.389 -16.805 9.159 1.00 0.00 N ATOM 925 CA ALA A 64 17.085 -16.631 8.525 1.00 0.00 C ATOM 926 C ALA A 64 16.003 -16.327 9.555 1.00 0.00 C ATOM 927 O ALA A 64 14.810 -16.440 9.269 1.00 0.00 O ATOM 928 CB ALA A 64 16.717 -17.869 7.720 1.00 0.00 C ATOM 0 H ALA A 64 19.102 -16.149 8.841 1.00 0.00 H new ATOM 0 HA ALA A 64 17.153 -15.778 7.849 1.00 0.00 H new ATOM 0 HB1 ALA A 64 15.743 -17.723 7.254 1.00 0.00 H new ATOM 0 HB2 ALA A 64 17.467 -18.037 6.947 1.00 0.00 H new ATOM 0 HB3 ALA A 64 16.677 -18.734 8.381 1.00 0.00 H new ATOM 934 N ALA A 65 16.425 -15.938 10.754 1.00 0.00 N ATOM 935 CA ALA A 65 15.493 -15.616 11.826 1.00 0.00 C ATOM 936 C ALA A 65 15.238 -14.114 11.896 1.00 0.00 C ATOM 937 O ALA A 65 14.693 -13.610 12.879 1.00 0.00 O ATOM 938 CB ALA A 65 16.024 -16.124 13.158 1.00 0.00 C ATOM 0 H ALA A 65 17.408 -15.838 11.007 1.00 0.00 H new ATOM 0 HA ALA A 65 14.546 -16.111 11.612 1.00 0.00 H new ATOM 0 HB1 ALA A 65 15.317 -15.876 13.950 1.00 0.00 H new ATOM 0 HB2 ALA A 65 16.151 -17.206 13.110 1.00 0.00 H new ATOM 0 HB3 ALA A 65 16.985 -15.655 13.369 1.00 0.00 H new ATOM 944 N LEU A 66 15.636 -13.404 10.845 1.00 0.00 N ATOM 945 CA LEU A 66 15.452 -11.958 10.784 1.00 0.00 C ATOM 946 C LEU A 66 14.232 -11.600 9.941 1.00 0.00 C ATOM 947 O LEU A 66 13.931 -12.267 8.952 1.00 0.00 O ATOM 948 CB LEU A 66 16.700 -11.286 10.207 1.00 0.00 C ATOM 949 CG LEU A 66 17.445 -12.100 9.146 1.00 0.00 C ATOM 950 CD1 LEU A 66 17.935 -11.195 8.027 1.00 0.00 C ATOM 951 CD2 LEU A 66 18.606 -12.856 9.773 1.00 0.00 C ATOM 0 H LEU A 66 16.088 -13.806 10.024 1.00 0.00 H new ATOM 0 HA LEU A 66 15.290 -11.595 11.799 1.00 0.00 H new ATOM 0 HB2 LEU A 66 16.410 -10.330 9.771 1.00 0.00 H new ATOM 0 HB3 LEU A 66 17.387 -11.069 11.025 1.00 0.00 H new ATOM 0 HG LEU A 66 16.754 -12.827 8.720 1.00 0.00 H new ATOM 0 HD11 LEU A 66 18.462 -11.791 7.282 1.00 0.00 H new ATOM 0 HD12 LEU A 66 17.083 -10.700 7.560 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.611 -10.444 8.436 1.00 0.00 H new ATOM 0 HD21 LEU A 66 19.124 -13.429 9.004 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.299 -12.147 10.227 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.228 -13.534 10.538 1.00 0.00 H new ATOM 963 N ARG A 67 13.533 -10.543 10.341 1.00 0.00 N ATOM 964 CA ARG A 67 12.345 -10.092 9.626 1.00 0.00 C ATOM 965 C ARG A 67 12.206 -8.574 9.703 1.00 0.00 C ATOM 966 O ARG A 67 12.798 -7.931 10.569 1.00 0.00 O ATOM 967 CB ARG A 67 11.094 -10.758 10.202 1.00 0.00 C ATOM 968 CG ARG A 67 10.892 -12.189 9.729 1.00 0.00 C ATOM 969 CD ARG A 67 9.946 -12.950 10.644 1.00 0.00 C ATOM 970 NE ARG A 67 8.618 -12.343 10.686 1.00 0.00 N ATOM 971 CZ ARG A 67 7.785 -12.458 11.716 1.00 0.00 C ATOM 972 NH1 ARG A 67 8.143 -13.155 12.786 1.00 0.00 N ATOM 973 NH2 ARG A 67 6.595 -11.876 11.676 1.00 0.00 N ATOM 0 H ARG A 67 13.770 -9.981 11.159 1.00 0.00 H new ATOM 0 HA ARG A 67 12.452 -10.377 8.579 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.157 -10.750 11.290 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.220 -10.167 9.929 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.494 -12.185 8.714 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.854 -12.700 9.692 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.862 -13.981 10.302 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.362 -12.981 11.651 1.00 0.00 H new ATOM 0 HE ARG A 67 8.312 -11.800 9.879 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.058 -13.604 12.820 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.503 -13.242 13.575 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.317 -11.339 10.854 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.957 -11.965 12.467 1.00 0.00 H new ATOM 987 N PRO A 68 11.415 -7.976 8.793 1.00 0.00 N ATOM 988 CA PRO A 68 11.200 -6.526 8.766 1.00 0.00 C ATOM 989 C PRO A 68 10.397 -6.038 9.968 1.00 0.00 C ATOM 990 O PRO A 68 9.942 -6.836 10.787 1.00 0.00 O ATOM 991 CB PRO A 68 10.413 -6.306 7.472 1.00 0.00 C ATOM 992 CG PRO A 68 9.730 -7.605 7.219 1.00 0.00 C ATOM 993 CD PRO A 68 10.666 -8.666 7.728 1.00 0.00 C ATOM 0 HA PRO A 68 12.139 -5.974 8.807 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.693 -5.495 7.579 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.074 -6.039 6.647 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.771 -7.649 7.735 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.527 -7.740 6.157 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.124 -9.530 8.113 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.328 -9.029 6.942 1.00 0.00 H new ATOM 1001 N THR A 69 10.228 -4.723 10.066 1.00 0.00 N ATOM 1002 CA THR A 69 9.478 -4.131 11.170 1.00 0.00 C ATOM 1003 C THR A 69 9.029 -2.714 10.833 1.00 0.00 C ATOM 1004 O THR A 69 7.938 -2.291 11.215 1.00 0.00 O ATOM 1005 CB THR A 69 10.313 -4.099 12.463 1.00 0.00 C ATOM 1006 OG1 THR A 69 9.657 -3.296 13.451 1.00 0.00 O ATOM 1007 CG2 THR A 69 11.706 -3.547 12.197 1.00 0.00 C ATOM 0 H THR A 69 10.599 -4.048 9.397 1.00 0.00 H new ATOM 0 HA THR A 69 8.601 -4.759 11.328 1.00 0.00 H new ATOM 0 HB THR A 69 10.409 -5.121 12.831 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.194 -3.282 14.271 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.276 -3.535 13.126 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.214 -4.178 11.468 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.627 -2.532 11.806 1.00 0.00 H new ATOM 1015 N LYS A 70 9.877 -1.984 10.116 1.00 0.00 N ATOM 1016 CA LYS A 70 9.569 -0.612 9.727 1.00 0.00 C ATOM 1017 C LYS A 70 10.503 -0.137 8.620 1.00 0.00 C ATOM 1018 O LYS A 70 11.443 -0.838 8.246 1.00 0.00 O ATOM 1019 CB LYS A 70 9.675 0.320 10.935 1.00 0.00 C ATOM 1020 CG LYS A 70 8.454 1.204 11.133 1.00 0.00 C ATOM 1021 CD LYS A 70 8.405 1.781 12.538 1.00 0.00 C ATOM 1022 CE LYS A 70 7.075 1.488 13.213 1.00 0.00 C ATOM 1023 NZ LYS A 70 6.282 2.728 13.441 1.00 0.00 N ATOM 0 H LYS A 70 10.784 -2.320 9.792 1.00 0.00 H new ATOM 0 HA LYS A 70 8.547 -0.590 9.349 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.829 -0.279 11.833 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.555 0.952 10.819 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.470 2.016 10.406 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.550 0.625 10.945 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.217 1.362 13.133 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.564 2.859 12.496 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.500 0.797 12.597 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.254 0.991 14.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.383 2.485 13.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.820 3.377 14.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.089 3.189 12.529 1.00 0.00 H new ATOM 1037 N SER A 71 10.239 1.058 8.101 1.00 0.00 N ATOM 1038 CA SER A 71 11.057 1.627 7.037 1.00 0.00 C ATOM 1039 C SER A 71 11.384 3.090 7.323 1.00 0.00 C ATOM 1040 O SER A 71 10.830 3.994 6.697 1.00 0.00 O ATOM 1041 CB SER A 71 10.338 1.505 5.691 1.00 0.00 C ATOM 1042 OG SER A 71 8.983 1.134 5.869 1.00 0.00 O ATOM 0 H SER A 71 9.465 1.651 8.400 1.00 0.00 H new ATOM 0 HA SER A 71 11.992 1.068 6.993 1.00 0.00 H new ATOM 0 HB2 SER A 71 10.391 2.455 5.159 1.00 0.00 H new ATOM 0 HB3 SER A 71 10.843 0.764 5.071 1.00 0.00 H new ATOM 0 HG SER A 71 8.545 1.064 4.995 1.00 0.00 H new ATOM 1048 N ASP A 72 12.286 3.314 8.273 1.00 0.00 N ATOM 1049 CA ASP A 72 12.688 4.666 8.642 1.00 0.00 C ATOM 1050 C ASP A 72 14.162 4.898 8.325 1.00 0.00 C ATOM 1051 O ASP A 72 14.987 5.043 9.227 1.00 0.00 O ATOM 1052 CB ASP A 72 12.427 4.909 10.130 1.00 0.00 C ATOM 1053 CG ASP A 72 12.515 6.377 10.500 1.00 0.00 C ATOM 1054 OD1 ASP A 72 11.800 7.190 9.878 1.00 0.00 O ATOM 1055 OD2 ASP A 72 13.300 6.714 11.412 1.00 0.00 O ATOM 0 H ASP A 72 12.752 2.576 8.801 1.00 0.00 H new ATOM 0 HA ASP A 72 12.095 5.370 8.058 1.00 0.00 H new ATOM 0 HB2 ASP A 72 11.438 4.530 10.389 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.149 4.344 10.720 1.00 0.00 H new ATOM 1060 N GLY A 73 14.486 4.933 7.035 1.00 0.00 N ATOM 1061 CA GLY A 73 15.859 5.146 6.620 1.00 0.00 C ATOM 1062 C GLY A 73 16.722 3.915 6.818 1.00 0.00 C ATOM 1063 O GLY A 73 17.943 4.017 6.940 1.00 0.00 O ATOM 0 H GLY A 73 13.821 4.817 6.271 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.877 5.433 5.569 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.281 5.977 7.185 1.00 0.00 H new ATOM 1067 N ALA A 74 16.084 2.749 6.850 1.00 0.00 N ATOM 1068 CA ALA A 74 16.798 1.491 7.036 1.00 0.00 C ATOM 1069 C ALA A 74 17.125 0.843 5.695 1.00 0.00 C ATOM 1070 O ALA A 74 16.318 0.877 4.766 1.00 0.00 O ATOM 1071 CB ALA A 74 15.977 0.542 7.894 1.00 0.00 C ATOM 0 H ALA A 74 15.074 2.649 6.750 1.00 0.00 H new ATOM 0 HA ALA A 74 17.737 1.706 7.546 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.521 -0.393 8.025 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.796 0.996 8.868 1.00 0.00 H new ATOM 0 HB3 ALA A 74 15.024 0.341 7.405 1.00 0.00 H new ATOM 1077 N VAL A 75 18.313 0.252 5.602 1.00 0.00 N ATOM 1078 CA VAL A 75 18.745 -0.404 4.374 1.00 0.00 C ATOM 1079 C VAL A 75 19.253 -1.815 4.654 1.00 0.00 C ATOM 1080 O VAL A 75 19.562 -2.158 5.795 1.00 0.00 O ATOM 1081 CB VAL A 75 19.855 0.395 3.661 1.00 0.00 C ATOM 1082 CG1 VAL A 75 19.614 0.412 2.159 1.00 0.00 C ATOM 1083 CG2 VAL A 75 19.943 1.810 4.210 1.00 0.00 C ATOM 0 H VAL A 75 18.992 0.214 6.362 1.00 0.00 H new ATOM 0 HA VAL A 75 17.872 -0.454 3.723 1.00 0.00 H new ATOM 0 HB VAL A 75 20.808 -0.098 3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 75 20.406 0.980 1.670 1.00 0.00 H new ATOM 0 HG12 VAL A 75 19.612 -0.610 1.779 1.00 0.00 H new ATOM 0 HG13 VAL A 75 18.651 0.878 1.950 1.00 0.00 H new ATOM 0 HG21 VAL A 75 20.733 2.353 3.691 1.00 0.00 H new ATOM 0 HG22 VAL A 75 18.992 2.319 4.057 1.00 0.00 H new ATOM 0 HG23 VAL A 75 20.168 1.773 5.276 1.00 0.00 H new ATOM 1093 N SER A 76 19.337 -2.626 3.605 1.00 0.00 N ATOM 1094 CA SER A 76 19.808 -4.001 3.736 1.00 0.00 C ATOM 1095 C SER A 76 20.501 -4.459 2.457 1.00 0.00 C ATOM 1096 O SER A 76 20.365 -3.832 1.407 1.00 0.00 O ATOM 1097 CB SER A 76 18.641 -4.934 4.060 1.00 0.00 C ATOM 1098 OG SER A 76 17.405 -4.360 3.673 1.00 0.00 O ATOM 0 H SER A 76 19.085 -2.355 2.654 1.00 0.00 H new ATOM 0 HA SER A 76 20.528 -4.037 4.553 1.00 0.00 H new ATOM 0 HB2 SER A 76 18.780 -5.886 3.547 1.00 0.00 H new ATOM 0 HB3 SER A 76 18.628 -5.147 5.129 1.00 0.00 H new ATOM 0 HG SER A 76 16.675 -4.977 3.890 1.00 0.00 H new ATOM 1104 N GLY A 77 21.247 -5.556 2.553 1.00 0.00 N ATOM 1105 CA GLY A 77 21.949 -6.077 1.394 1.00 0.00 C ATOM 1106 C GLY A 77 22.326 -7.536 1.550 1.00 0.00 C ATOM 1107 O GLY A 77 22.070 -8.144 2.589 1.00 0.00 O ATOM 0 H GLY A 77 21.378 -6.092 3.411 1.00 0.00 H new ATOM 0 HA2 GLY A 77 21.321 -5.960 0.511 1.00 0.00 H new ATOM 0 HA3 GLY A 77 22.851 -5.488 1.225 1.00 0.00 H new