USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 367 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 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0241 X(o=-0.024,f=-0.29) USER MOD Single : A 30 LYS NZ :NH3+ -157:sc= -0.001 (180deg=-0.562) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.478 X(o=-0.48,f=-0.02) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.173 K(o=-0.17,f=-2.2!) USER MOD Single : A 57 HIS : no HD1:sc= -0.0906 K(o=-0.091,f=-0.67) USER MOD Single : A 59 SER OG : rot 96:sc= 1.32 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -1.92 K(o=-1.9,f=-0.38) USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0107) USER MOD Single : A 90 ASN : amide:sc=-0.00767 K(o=-0.0077,f=-0.87) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -0.443 X(o=-0.44,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 280 N LYS A 23 -6.069 32.295 17.176 1.00 33.10 N ATOM 281 CA LYS A 23 -7.202 31.468 16.781 1.00 61.44 C ATOM 282 C LYS A 23 -7.083 31.043 15.321 1.00 34.33 C ATOM 283 O LYS A 23 -6.792 29.884 15.023 1.00 61.20 O ATOM 284 CB LYS A 23 -8.513 32.227 16.996 1.00 5.54 C ATOM 285 CG LYS A 23 -8.381 33.731 16.826 1.00 72.04 C ATOM 286 CD LYS A 23 -9.646 34.339 16.245 1.00 4.31 C ATOM 287 CE LYS A 23 -9.806 33.994 14.773 1.00 24.20 C ATOM 288 NZ LYS A 23 -11.167 34.334 14.269 1.00 13.21 N ATOM 0 HA LYS A 23 -7.200 30.573 17.403 1.00 61.44 H new ATOM 0 HB2 LYS A 23 -9.258 31.854 16.293 1.00 5.54 H new ATOM 0 HB3 LYS A 23 -8.886 32.015 17.998 1.00 5.54 H new ATOM 0 HG2 LYS A 23 -8.166 34.190 17.791 1.00 72.04 H new ATOM 0 HG3 LYS A 23 -7.537 33.952 16.173 1.00 72.04 H new ATOM 0 HD2 LYS A 23 -10.512 33.979 16.800 1.00 4.31 H new ATOM 0 HD3 LYS A 23 -9.618 35.422 16.365 1.00 4.31 H new ATOM 0 HE2 LYS A 23 -9.058 34.532 14.190 1.00 24.20 H new ATOM 0 HE3 LYS A 23 -9.620 32.930 14.627 1.00 24.20 H new ATOM 0 HZ1 LYS A 23 -11.237 34.084 13.262 1.00 13.21 H new ATOM 0 HZ2 LYS A 23 -11.880 33.802 14.808 1.00 13.21 H new ATOM 0 HZ3 LYS A 23 -11.335 35.354 14.385 1.00 13.21 H new ATOM 298 N SER A 24 -7.307 31.988 14.414 1.00 70.43 N ATOM 299 CA SER A 24 -7.227 31.711 12.984 1.00 5.14 C ATOM 300 C SER A 24 -6.099 30.728 12.684 1.00 1.04 C ATOM 301 O SER A 24 -6.180 29.943 11.740 1.00 41.40 O ATOM 302 CB SER A 24 -7.009 33.008 12.203 1.00 50.05 C ATOM 303 OG SER A 24 -8.075 33.243 11.298 1.00 2.03 O ATOM 0 H SER A 24 -7.545 32.953 14.644 1.00 70.43 H new ATOM 0 HA SER A 24 -8.170 31.262 12.673 1.00 5.14 H new ATOM 0 HB2 SER A 24 -6.926 33.845 12.897 1.00 50.05 H new ATOM 0 HB3 SER A 24 -6.068 32.953 11.655 1.00 50.05 H new ATOM 0 HG SER A 24 -7.913 34.079 10.812 1.00 2.03 H new ATOM 308 N TYR A 25 -5.048 30.779 13.495 1.00 12.31 N ATOM 309 CA TYR A 25 -3.902 29.895 13.316 1.00 30.22 C ATOM 310 C TYR A 25 -4.145 28.545 13.984 1.00 5.45 C ATOM 311 O TYR A 25 -4.070 27.499 13.342 1.00 25.12 O ATOM 312 CB TYR A 25 -2.639 30.541 13.888 1.00 43.50 C ATOM 313 CG TYR A 25 -2.307 31.878 13.266 1.00 2.03 C ATOM 314 CD1 TYR A 25 -3.172 32.958 13.390 1.00 31.04 C ATOM 315 CD2 TYR A 25 -1.129 32.061 12.554 1.00 34.13 C ATOM 316 CE1 TYR A 25 -2.872 34.182 12.822 1.00 44.41 C ATOM 317 CE2 TYR A 25 -0.820 33.281 11.984 1.00 42.10 C ATOM 318 CZ TYR A 25 -1.696 34.339 12.120 1.00 14.55 C ATOM 319 OH TYR A 25 -1.393 35.556 11.554 1.00 41.32 O ATOM 0 H TYR A 25 -4.966 31.423 14.282 1.00 12.31 H new ATOM 0 HA TYR A 25 -3.765 29.731 12.247 1.00 30.22 H new ATOM 0 HB2 TYR A 25 -2.763 30.671 14.963 1.00 43.50 H new ATOM 0 HB3 TYR A 25 -1.797 29.864 13.743 1.00 43.50 H new ATOM 0 HD1 TYR A 25 -4.094 32.839 13.939 1.00 31.04 H new ATOM 0 HD2 TYR A 25 -0.442 31.235 12.444 1.00 34.13 H new ATOM 0 HE1 TYR A 25 -3.556 35.011 12.928 1.00 44.41 H new ATOM 0 HE2 TYR A 25 0.102 33.406 11.435 1.00 42.10 H new ATOM 0 HH TYR A 25 -0.528 35.498 11.096 1.00 41.32 H new ATOM 328 N ALA A 26 -4.436 28.579 15.282 1.00 63.33 N ATOM 329 CA ALA A 26 -4.692 27.360 16.038 1.00 44.33 C ATOM 330 C ALA A 26 -6.022 26.733 15.634 1.00 61.14 C ATOM 331 O ALA A 26 -6.096 25.536 15.359 1.00 54.32 O ATOM 332 CB ALA A 26 -4.677 27.653 17.531 1.00 42.31 C ATOM 0 H ALA A 26 -4.500 29.437 15.830 1.00 63.33 H new ATOM 0 HA ALA A 26 -3.900 26.647 15.810 1.00 44.33 H new ATOM 0 HB1 ALA A 26 -4.870 26.734 18.084 1.00 42.31 H new ATOM 0 HB2 ALA A 26 -3.702 28.049 17.814 1.00 42.31 H new ATOM 0 HB3 ALA A 26 -5.449 28.386 17.766 1.00 42.31 H new ATOM 338 N GLU A 27 -7.071 27.549 15.601 1.00 40.04 N ATOM 339 CA GLU A 27 -8.399 27.072 15.231 1.00 53.23 C ATOM 340 C GLU A 27 -8.344 26.257 13.942 1.00 54.41 C ATOM 341 O GLU A 27 -8.754 25.096 13.912 1.00 5.22 O ATOM 342 CB GLU A 27 -9.360 28.250 15.062 1.00 73.24 C ATOM 343 CG GLU A 27 -10.806 27.831 14.857 1.00 40.31 C ATOM 344 CD GLU A 27 -11.686 28.175 16.043 1.00 1.33 C ATOM 345 OE1 GLU A 27 -12.158 29.329 16.119 1.00 54.23 O ATOM 346 OE2 GLU A 27 -11.903 27.289 16.897 1.00 62.13 O ATOM 0 H GLU A 27 -7.027 28.543 15.826 1.00 40.04 H new ATOM 0 HA GLU A 27 -8.762 26.429 16.032 1.00 53.23 H new ATOM 0 HB2 GLU A 27 -9.297 28.889 15.943 1.00 73.24 H new ATOM 0 HB3 GLU A 27 -9.040 28.850 14.210 1.00 73.24 H new ATOM 0 HG2 GLU A 27 -11.199 28.318 13.964 1.00 40.31 H new ATOM 0 HG3 GLU A 27 -10.847 26.757 14.678 1.00 40.31 H new ATOM 351 N GLN A 28 -7.836 26.872 12.880 1.00 24.34 N ATOM 352 CA GLN A 28 -7.729 26.204 11.588 1.00 25.33 C ATOM 353 C GLN A 28 -7.107 24.820 11.741 1.00 24.11 C ATOM 354 O GLN A 28 -7.476 23.881 11.037 1.00 63.45 O ATOM 355 CB GLN A 28 -6.895 27.047 10.622 1.00 33.32 C ATOM 356 CG GLN A 28 -7.726 27.783 9.584 1.00 21.13 C ATOM 357 CD GLN A 28 -6.959 28.049 8.304 1.00 25.22 C ATOM 358 OE1 GLN A 28 -6.360 27.142 7.726 1.00 74.32 O ATOM 359 NE2 GLN A 28 -6.974 29.298 7.853 1.00 1.14 N ATOM 0 H GLN A 28 -7.492 27.832 12.888 1.00 24.34 H new ATOM 0 HA GLN A 28 -8.734 26.088 11.183 1.00 25.33 H new ATOM 0 HB2 GLN A 28 -6.316 27.773 11.193 1.00 33.32 H new ATOM 0 HB3 GLN A 28 -6.181 26.400 10.112 1.00 33.32 H new ATOM 0 HG2 GLN A 28 -8.616 27.197 9.355 1.00 21.13 H new ATOM 0 HG3 GLN A 28 -8.067 28.730 10.002 1.00 21.13 H new ATOM 0 HE21 GLN A 28 -7.484 30.019 8.364 1.00 1.14 H new ATOM 0 HE22 GLN A 28 -6.476 29.537 6.995 1.00 1.14 H new ATOM 366 N GLY A 29 -6.160 24.701 12.667 1.00 41.25 N ATOM 367 CA GLY A 29 -5.502 23.427 12.895 1.00 21.41 C ATOM 368 C GLY A 29 -6.386 22.443 13.635 1.00 13.34 C ATOM 369 O GLY A 29 -6.433 21.260 13.294 1.00 31.41 O ATOM 0 H GLY A 29 -5.837 25.463 13.263 1.00 41.25 H new ATOM 0 HA2 GLY A 29 -5.207 22.997 11.938 1.00 21.41 H new ATOM 0 HA3 GLY A 29 -4.588 23.591 13.466 1.00 21.41 H new ATOM 372 N LYS A 30 -7.087 22.928 14.653 1.00 24.15 N ATOM 373 CA LYS A 30 -7.973 22.084 15.446 1.00 72.43 C ATOM 374 C LYS A 30 -9.183 21.647 14.627 1.00 61.13 C ATOM 375 O LYS A 30 -9.512 20.462 14.573 1.00 74.21 O ATOM 376 CB LYS A 30 -8.435 22.829 16.700 1.00 35.34 C ATOM 377 CG LYS A 30 -7.815 22.303 17.983 1.00 71.42 C ATOM 378 CD LYS A 30 -7.509 23.428 18.957 1.00 43.11 C ATOM 379 CE LYS A 30 -8.779 24.134 19.408 1.00 3.42 C ATOM 380 NZ LYS A 30 -8.986 25.419 18.685 1.00 42.13 N ATOM 0 H LYS A 30 -7.059 23.904 14.949 1.00 24.15 H new ATOM 0 HA LYS A 30 -7.417 21.195 15.744 1.00 72.43 H new ATOM 0 HB2 LYS A 30 -8.191 23.886 16.595 1.00 35.34 H new ATOM 0 HB3 LYS A 30 -9.520 22.759 16.775 1.00 35.34 H new ATOM 0 HG2 LYS A 30 -8.494 21.590 18.451 1.00 71.42 H new ATOM 0 HG3 LYS A 30 -6.897 21.763 17.750 1.00 71.42 H new ATOM 0 HD2 LYS A 30 -6.986 23.027 19.825 1.00 43.11 H new ATOM 0 HD3 LYS A 30 -6.839 24.147 18.486 1.00 43.11 H new ATOM 0 HE2 LYS A 30 -9.636 23.481 19.241 1.00 3.42 H new ATOM 0 HE3 LYS A 30 -8.727 24.325 20.480 1.00 3.42 H new ATOM 0 HZ1 LYS A 30 -9.597 26.042 19.251 1.00 42.13 H new ATOM 0 HZ2 LYS A 30 -8.068 25.882 18.531 1.00 42.13 H new ATOM 0 HZ3 LYS A 30 -9.438 25.232 17.767 1.00 42.13 H new ATOM 390 N GLU A 31 -9.841 22.611 13.990 1.00 42.32 N ATOM 391 CA GLU A 31 -11.014 22.323 13.173 1.00 22.21 C ATOM 392 C GLU A 31 -10.769 21.115 12.274 1.00 20.44 C ATOM 393 O GLU A 31 -11.700 20.394 11.916 1.00 63.34 O ATOM 394 CB GLU A 31 -11.382 23.540 12.322 1.00 0.41 C ATOM 395 CG GLU A 31 -10.527 23.692 11.076 1.00 53.14 C ATOM 396 CD GLU A 31 -11.182 23.099 9.843 1.00 32.12 C ATOM 397 OE1 GLU A 31 -12.362 23.416 9.589 1.00 43.43 O ATOM 398 OE2 GLU A 31 -10.514 22.318 9.133 1.00 23.30 O ATOM 0 H GLU A 31 -9.582 23.597 14.024 1.00 42.32 H new ATOM 0 HA GLU A 31 -11.843 22.093 13.843 1.00 22.21 H new ATOM 0 HB2 GLU A 31 -12.429 23.464 12.027 1.00 0.41 H new ATOM 0 HB3 GLU A 31 -11.287 24.440 12.930 1.00 0.41 H new ATOM 0 HG2 GLU A 31 -10.327 24.750 10.904 1.00 53.14 H new ATOM 0 HG3 GLU A 31 -9.564 23.208 11.239 1.00 53.14 H new ATOM 403 N TYR A 32 -9.508 20.902 11.911 1.00 44.42 N ATOM 404 CA TYR A 32 -9.140 19.784 11.051 1.00 34.12 C ATOM 405 C TYR A 32 -9.157 18.470 11.828 1.00 72.21 C ATOM 406 O TYR A 32 -9.534 17.427 11.295 1.00 74.20 O ATOM 407 CB TYR A 32 -7.753 20.014 10.447 1.00 53.51 C ATOM 408 CG TYR A 32 -7.045 18.737 10.054 1.00 21.43 C ATOM 409 CD1 TYR A 32 -6.437 17.933 11.010 1.00 1.12 C ATOM 410 CD2 TYR A 32 -6.984 18.335 8.725 1.00 42.12 C ATOM 411 CE1 TYR A 32 -5.788 16.767 10.654 1.00 22.22 C ATOM 412 CE2 TYR A 32 -6.338 17.169 8.361 1.00 63.43 C ATOM 413 CZ TYR A 32 -5.742 16.389 9.329 1.00 15.23 C ATOM 414 OH TYR A 32 -5.097 15.227 8.971 1.00 13.34 O ATOM 0 H TYR A 32 -8.725 21.489 12.199 1.00 44.42 H new ATOM 0 HA TYR A 32 -9.874 19.719 10.247 1.00 34.12 H new ATOM 0 HB2 TYR A 32 -7.850 20.651 9.568 1.00 53.51 H new ATOM 0 HB3 TYR A 32 -7.138 20.554 11.166 1.00 53.51 H new ATOM 0 HD1 TYR A 32 -6.472 18.225 12.049 1.00 1.12 H new ATOM 0 HD2 TYR A 32 -7.449 18.944 7.964 1.00 42.12 H new ATOM 0 HE1 TYR A 32 -5.319 16.154 11.410 1.00 22.22 H new ATOM 0 HE2 TYR A 32 -6.300 16.870 7.324 1.00 63.43 H new ATOM 0 HH TYR A 32 -5.157 15.105 8.000 1.00 13.34 H new ATOM 423 N ILE A 33 -8.746 18.531 13.090 1.00 20.21 N ATOM 424 CA ILE A 33 -8.716 17.348 13.941 1.00 61.21 C ATOM 425 C ILE A 33 -10.013 17.206 14.731 1.00 34.51 C ATOM 426 O ILE A 33 -10.717 16.203 14.614 1.00 51.33 O ATOM 427 CB ILE A 33 -7.531 17.391 14.924 1.00 24.44 C ATOM 428 CG1 ILE A 33 -7.913 16.726 16.247 1.00 52.23 C ATOM 429 CG2 ILE A 33 -7.088 18.829 15.156 1.00 24.52 C ATOM 430 CD1 ILE A 33 -6.795 16.721 17.266 1.00 22.40 C ATOM 0 H ILE A 33 -8.429 19.387 13.546 1.00 20.21 H new ATOM 0 HA ILE A 33 -8.599 16.488 13.282 1.00 61.21 H new ATOM 0 HB ILE A 33 -6.697 16.839 14.490 1.00 24.44 H new ATOM 0 HG12 ILE A 33 -8.775 17.243 16.668 1.00 52.23 H new ATOM 0 HG13 ILE A 33 -8.221 15.699 16.052 1.00 52.23 H new ATOM 0 HG21 ILE A 33 -6.250 18.844 15.853 1.00 24.52 H new ATOM 0 HG22 ILE A 33 -6.780 19.272 14.209 1.00 24.52 H new ATOM 0 HG23 ILE A 33 -7.916 19.402 15.573 1.00 24.52 H new ATOM 0 HD11 ILE A 33 -7.137 16.234 18.179 1.00 22.40 H new ATOM 0 HD12 ILE A 33 -5.939 16.179 16.864 1.00 22.40 H new ATOM 0 HD13 ILE A 33 -6.502 17.747 17.490 1.00 22.40 H new ATOM 441 N THR A 34 -10.323 18.218 15.535 1.00 43.02 N ATOM 442 CA THR A 34 -11.535 18.206 16.344 1.00 20.02 C ATOM 443 C THR A 34 -12.689 17.550 15.596 1.00 42.34 C ATOM 444 O THR A 34 -13.404 16.712 16.148 1.00 32.35 O ATOM 445 CB THR A 34 -11.949 19.632 16.756 1.00 11.10 C ATOM 446 OG1 THR A 34 -13.246 19.609 17.364 1.00 35.33 O ATOM 447 CG2 THR A 34 -11.965 20.560 15.550 1.00 31.24 C ATOM 0 H THR A 34 -9.752 19.056 15.643 1.00 43.02 H new ATOM 0 HA THR A 34 -11.311 17.627 17.240 1.00 20.02 H new ATOM 0 HB THR A 34 -11.219 20.006 17.473 1.00 11.10 H new ATOM 0 HG1 THR A 34 -13.501 20.519 17.624 1.00 35.33 H new ATOM 0 HG21 THR A 34 -12.260 21.561 15.865 1.00 31.24 H new ATOM 0 HG22 THR A 34 -10.970 20.598 15.107 1.00 31.24 H new ATOM 0 HG23 THR A 34 -12.677 20.187 14.813 1.00 31.24 H new ATOM 604 N PRO A 46 -14.564 -0.927 19.976 1.00 74.35 N ATOM 605 CA PRO A 46 -14.678 -2.226 19.306 1.00 74.12 C ATOM 606 C PRO A 46 -15.990 -2.932 19.633 1.00 74.14 C ATOM 607 O PRO A 46 -16.370 -3.895 18.965 1.00 32.44 O ATOM 608 CB PRO A 46 -13.492 -3.018 19.863 1.00 23.31 C ATOM 609 CG PRO A 46 -13.208 -2.394 21.185 1.00 4.32 C ATOM 610 CD PRO A 46 -13.542 -0.936 21.036 1.00 4.12 C ATOM 0 HA PRO A 46 -14.670 -2.127 18.221 1.00 74.12 H new ATOM 0 HB2 PRO A 46 -13.736 -4.075 19.968 1.00 23.31 H new ATOM 0 HB3 PRO A 46 -12.628 -2.955 19.202 1.00 23.31 H new ATOM 0 HG2 PRO A 46 -13.808 -2.853 21.970 1.00 4.32 H new ATOM 0 HG3 PRO A 46 -12.163 -2.528 21.463 1.00 4.32 H new ATOM 0 HD2 PRO A 46 -13.924 -0.514 21.966 1.00 4.12 H new ATOM 0 HD3 PRO A 46 -12.667 -0.350 20.756 1.00 4.12 H new ATOM 615 N GLU A 47 -16.677 -2.448 20.662 1.00 70.43 N ATOM 616 CA GLU A 47 -17.946 -3.035 21.076 1.00 40.04 C ATOM 617 C GLU A 47 -19.116 -2.352 20.372 1.00 1.01 C ATOM 618 O GLU A 47 -20.275 -2.708 20.584 1.00 42.11 O ATOM 619 CB GLU A 47 -18.114 -2.924 22.592 1.00 44.52 C ATOM 620 CG GLU A 47 -17.871 -1.525 23.131 1.00 35.23 C ATOM 621 CD GLU A 47 -18.311 -1.371 24.574 1.00 2.45 C ATOM 622 OE1 GLU A 47 -18.954 -2.303 25.102 1.00 25.43 O ATOM 623 OE2 GLU A 47 -18.011 -0.318 25.176 1.00 74.43 O ATOM 0 H GLU A 47 -16.377 -1.652 21.224 1.00 70.43 H new ATOM 0 HA GLU A 47 -17.939 -4.088 20.795 1.00 40.04 H new ATOM 0 HB2 GLU A 47 -19.123 -3.238 22.861 1.00 44.52 H new ATOM 0 HB3 GLU A 47 -17.425 -3.616 23.077 1.00 44.52 H new ATOM 0 HG2 GLU A 47 -16.810 -1.288 23.051 1.00 35.23 H new ATOM 0 HG3 GLU A 47 -18.406 -0.804 22.513 1.00 35.23 H new ATOM 628 N ASP A 48 -18.803 -1.370 19.535 1.00 70.50 N ATOM 629 CA ASP A 48 -19.826 -0.637 18.799 1.00 45.34 C ATOM 630 C ASP A 48 -20.134 -1.319 17.469 1.00 21.41 C ATOM 631 O ASP A 48 -20.807 -0.751 16.610 1.00 30.13 O ATOM 632 CB ASP A 48 -19.377 0.805 18.555 1.00 15.44 C ATOM 633 CG ASP A 48 -19.935 1.767 19.585 1.00 64.20 C ATOM 634 OD1 ASP A 48 -19.924 1.424 20.786 1.00 32.42 O ATOM 635 OD2 ASP A 48 -20.383 2.863 19.190 1.00 44.10 O ATOM 0 H ASP A 48 -17.848 -1.063 19.349 1.00 70.50 H new ATOM 0 HA ASP A 48 -20.734 -0.629 19.401 1.00 45.34 H new ATOM 0 HB2 ASP A 48 -18.288 0.851 18.571 1.00 15.44 H new ATOM 0 HB3 ASP A 48 -19.694 1.118 17.560 1.00 15.44 H new ATOM 639 N ASN A 49 -19.634 -2.540 17.307 1.00 63.11 N ATOM 640 CA ASN A 49 -19.853 -3.298 16.080 1.00 15.24 C ATOM 641 C ASN A 49 -21.343 -3.436 15.785 1.00 53.04 C ATOM 642 O ASN A 49 -21.746 -3.614 14.635 1.00 0.30 O ATOM 643 CB ASN A 49 -19.213 -4.683 16.192 1.00 11.40 C ATOM 644 CG ASN A 49 -20.098 -5.672 16.928 1.00 22.23 C ATOM 645 OD1 ASN A 49 -20.490 -6.700 16.378 1.00 12.23 O ATOM 646 ND2 ASN A 49 -20.417 -5.361 18.179 1.00 30.11 N ATOM 0 H ASN A 49 -19.075 -3.025 18.009 1.00 63.11 H new ATOM 0 HA ASN A 49 -19.387 -2.755 15.258 1.00 15.24 H new ATOM 0 HB2 ASN A 49 -19.000 -5.064 15.193 1.00 11.40 H new ATOM 0 HB3 ASN A 49 -18.258 -4.598 16.711 1.00 11.40 H new ATOM 0 HD21 ASN A 49 -21.010 -5.986 18.724 1.00 30.11 H new ATOM 0 HD22 ASN A 49 -20.069 -4.497 18.594 1.00 30.11 H new ATOM 652 N LYS A 50 -22.158 -3.352 16.831 1.00 43.51 N ATOM 653 CA LYS A 50 -23.604 -3.466 16.686 1.00 62.33 C ATOM 654 C LYS A 50 -24.248 -2.089 16.551 1.00 33.32 C ATOM 655 O LYS A 50 -25.080 -1.866 15.673 1.00 64.34 O ATOM 656 CB LYS A 50 -24.202 -4.203 17.886 1.00 52.25 C ATOM 657 CG LYS A 50 -24.314 -5.705 17.683 1.00 60.25 C ATOM 658 CD LYS A 50 -25.501 -6.282 18.437 1.00 55.23 C ATOM 659 CE LYS A 50 -25.573 -7.794 18.288 1.00 50.23 C ATOM 660 NZ LYS A 50 -26.816 -8.352 18.888 1.00 51.43 N ATOM 0 H LYS A 50 -21.841 -3.205 17.789 1.00 43.51 H new ATOM 0 HA LYS A 50 -23.808 -4.035 15.779 1.00 62.33 H new ATOM 0 HB2 LYS A 50 -23.587 -4.008 18.765 1.00 52.25 H new ATOM 0 HB3 LYS A 50 -25.192 -3.798 18.094 1.00 52.25 H new ATOM 0 HG2 LYS A 50 -24.416 -5.923 16.620 1.00 60.25 H new ATOM 0 HG3 LYS A 50 -23.397 -6.188 18.021 1.00 60.25 H new ATOM 0 HD2 LYS A 50 -25.424 -6.022 19.493 1.00 55.23 H new ATOM 0 HD3 LYS A 50 -26.423 -5.834 18.065 1.00 55.23 H new ATOM 0 HE2 LYS A 50 -25.530 -8.057 17.231 1.00 50.23 H new ATOM 0 HE3 LYS A 50 -24.704 -8.248 18.765 1.00 50.23 H new ATOM 0 HZ1 LYS A 50 -26.827 -9.385 18.766 1.00 51.43 H new ATOM 0 HZ2 LYS A 50 -26.845 -8.123 19.902 1.00 51.43 H new ATOM 0 HZ3 LYS A 50 -27.645 -7.939 18.416 1.00 51.43 H new ATOM 670 N GLY A 51 -23.854 -1.168 17.426 1.00 73.05 N ATOM 671 CA GLY A 51 -24.401 0.175 17.386 1.00 23.21 C ATOM 672 C GLY A 51 -24.383 0.767 15.991 1.00 70.22 C ATOM 673 O GLY A 51 -25.158 1.673 15.683 1.00 70.52 O ATOM 0 H GLY A 51 -23.166 -1.329 18.162 1.00 73.05 H new ATOM 0 HA2 GLY A 51 -25.426 0.158 17.757 1.00 23.21 H new ATOM 0 HA3 GLY A 51 -23.830 0.817 18.057 1.00 23.21 H new ATOM 676 N VAL A 52 -23.496 0.255 15.143 1.00 14.12 N ATOM 677 CA VAL A 52 -23.379 0.739 13.773 1.00 44.22 C ATOM 678 C VAL A 52 -24.621 0.391 12.960 1.00 51.52 C ATOM 679 O VAL A 52 -25.119 1.207 12.185 1.00 22.44 O ATOM 680 CB VAL A 52 -22.139 0.151 13.073 1.00 50.32 C ATOM 681 CG1 VAL A 52 -20.891 0.395 13.907 1.00 12.22 C ATOM 682 CG2 VAL A 52 -22.332 -1.334 12.807 1.00 13.54 C ATOM 0 H VAL A 52 -22.848 -0.495 15.381 1.00 14.12 H new ATOM 0 HA VAL A 52 -23.275 1.823 13.828 1.00 44.22 H new ATOM 0 HB VAL A 52 -22.010 0.654 12.114 1.00 50.32 H new ATOM 0 HG11 VAL A 52 -20.025 -0.027 13.398 1.00 12.22 H new ATOM 0 HG12 VAL A 52 -20.747 1.467 14.041 1.00 12.22 H new ATOM 0 HG13 VAL A 52 -21.006 -0.080 14.881 1.00 12.22 H new ATOM 0 HG21 VAL A 52 -21.447 -1.733 12.312 1.00 13.54 H new ATOM 0 HG22 VAL A 52 -22.486 -1.856 13.752 1.00 13.54 H new ATOM 0 HG23 VAL A 52 -23.202 -1.479 12.166 1.00 13.54 H new ATOM 692 N PHE A 53 -25.117 -0.829 13.142 1.00 24.42 N ATOM 693 CA PHE A 53 -26.302 -1.286 12.425 1.00 71.24 C ATOM 694 C PHE A 53 -27.570 -0.984 13.217 1.00 14.25 C ATOM 695 O PHE A 53 -28.678 -1.053 12.687 1.00 34.42 O ATOM 696 CB PHE A 53 -26.207 -2.788 12.147 1.00 73.35 C ATOM 697 CG PHE A 53 -26.866 -3.635 13.198 1.00 30.31 C ATOM 698 CD1 PHE A 53 -26.157 -4.057 14.310 1.00 13.42 C ATOM 699 CD2 PHE A 53 -28.194 -4.008 13.073 1.00 60.54 C ATOM 700 CE1 PHE A 53 -26.761 -4.837 15.279 1.00 24.31 C ATOM 701 CE2 PHE A 53 -28.804 -4.787 14.037 1.00 53.33 C ATOM 702 CZ PHE A 53 -28.087 -5.201 15.142 1.00 13.43 C ATOM 0 H PHE A 53 -24.717 -1.518 13.779 1.00 24.42 H new ATOM 0 HA PHE A 53 -26.351 -0.749 11.478 1.00 71.24 H new ATOM 0 HB2 PHE A 53 -26.665 -3.000 11.181 1.00 73.35 H new ATOM 0 HB3 PHE A 53 -25.157 -3.070 12.071 1.00 73.35 H new ATOM 0 HD1 PHE A 53 -25.121 -3.774 14.422 1.00 13.42 H new ATOM 0 HD2 PHE A 53 -28.760 -3.686 12.211 1.00 60.54 H new ATOM 0 HE1 PHE A 53 -26.197 -5.161 16.141 1.00 24.31 H new ATOM 0 HE2 PHE A 53 -29.840 -5.072 13.927 1.00 53.33 H new ATOM 0 HZ PHE A 53 -28.562 -5.808 15.898 1.00 13.43 H new ATOM 711 N GLN A 54 -27.396 -0.649 14.493 1.00 61.14 N ATOM 712 CA GLN A 54 -28.526 -0.336 15.360 1.00 61.13 C ATOM 713 C GLN A 54 -29.280 0.888 14.852 1.00 20.23 C ATOM 714 O GLN A 54 -30.510 0.902 14.818 1.00 4.33 O ATOM 715 CB GLN A 54 -28.046 -0.097 16.792 1.00 15.04 C ATOM 716 CG GLN A 54 -29.041 -0.543 17.850 1.00 22.01 C ATOM 717 CD GLN A 54 -28.894 0.223 19.151 1.00 74.31 C ATOM 718 OE1 GLN A 54 -28.277 1.288 19.190 1.00 32.12 O ATOM 719 NE2 GLN A 54 -29.461 -0.316 20.223 1.00 34.12 N ATOM 0 H GLN A 54 -26.485 -0.588 14.948 1.00 61.14 H new ATOM 0 HA GLN A 54 -29.206 -1.188 15.350 1.00 61.13 H new ATOM 0 HB2 GLN A 54 -27.105 -0.626 16.944 1.00 15.04 H new ATOM 0 HB3 GLN A 54 -27.839 0.965 16.924 1.00 15.04 H new ATOM 0 HG2 GLN A 54 -30.054 -0.412 17.469 1.00 22.01 H new ATOM 0 HG3 GLN A 54 -28.908 -1.608 18.043 1.00 22.01 H new ATOM 0 HE21 GLN A 54 -29.963 -1.201 20.144 1.00 34.12 H new ATOM 0 HE22 GLN A 54 -29.395 0.154 21.126 1.00 34.12 H new ATOM 726 N GLY A 55 -28.533 1.916 14.458 1.00 42.44 N ATOM 727 CA GLY A 55 -29.149 3.131 13.958 1.00 42.35 C ATOM 728 C GLY A 55 -29.331 3.112 12.453 1.00 33.14 C ATOM 729 O GLY A 55 -30.120 3.882 11.905 1.00 10.14 O ATOM 0 H GLY A 55 -27.513 1.928 14.476 1.00 42.44 H new ATOM 0 HA2 GLY A 55 -30.119 3.266 14.436 1.00 42.35 H new ATOM 0 HA3 GLY A 55 -28.534 3.987 14.236 1.00 42.35 H new ATOM 732 N VAL A 56 -28.595 2.231 11.781 1.00 40.13 N ATOM 733 CA VAL A 56 -28.678 2.116 10.330 1.00 63.22 C ATOM 734 C VAL A 56 -29.825 1.200 9.915 1.00 21.03 C ATOM 735 O VAL A 56 -30.704 1.595 9.151 1.00 25.51 O ATOM 736 CB VAL A 56 -27.365 1.577 9.733 1.00 13.24 C ATOM 737 CG1 VAL A 56 -27.640 0.767 8.476 1.00 63.10 C ATOM 738 CG2 VAL A 56 -26.404 2.719 9.442 1.00 71.30 C ATOM 0 H VAL A 56 -27.935 1.587 12.218 1.00 40.13 H new ATOM 0 HA VAL A 56 -28.860 3.119 9.944 1.00 63.22 H new ATOM 0 HB VAL A 56 -26.899 0.917 10.465 1.00 13.24 H new ATOM 0 HG11 VAL A 56 -26.699 0.395 8.070 1.00 63.10 H new ATOM 0 HG12 VAL A 56 -28.288 -0.075 8.720 1.00 63.10 H new ATOM 0 HG13 VAL A 56 -28.130 1.399 7.736 1.00 63.10 H new ATOM 0 HG21 VAL A 56 -25.481 2.320 9.021 1.00 71.30 H new ATOM 0 HG22 VAL A 56 -26.861 3.406 8.730 1.00 71.30 H new ATOM 0 HG23 VAL A 56 -26.180 3.251 10.367 1.00 71.30 H new ATOM 748 N HIS A 57 -29.809 -0.027 10.426 1.00 1.44 N ATOM 749 CA HIS A 57 -30.849 -1.000 10.110 1.00 11.44 C ATOM 750 C HIS A 57 -32.235 -0.414 10.358 1.00 22.01 C ATOM 751 O HIS A 57 -33.111 -0.483 9.497 1.00 64.13 O ATOM 752 CB HIS A 57 -30.661 -2.267 10.946 1.00 3.22 C ATOM 753 CG HIS A 57 -31.669 -3.334 10.650 1.00 55.13 C ATOM 754 ND1 HIS A 57 -32.938 -3.343 11.189 1.00 44.02 N ATOM 755 CD2 HIS A 57 -31.590 -4.433 9.862 1.00 3.44 C ATOM 756 CE1 HIS A 57 -33.595 -4.400 10.748 1.00 70.33 C ATOM 757 NE2 HIS A 57 -32.799 -5.078 9.941 1.00 52.42 N ATOM 0 H HIS A 57 -29.088 -0.371 11.060 1.00 1.44 H new ATOM 0 HA HIS A 57 -30.766 -1.254 9.053 1.00 11.44 H new ATOM 0 HB2 HIS A 57 -29.661 -2.664 10.770 1.00 3.22 H new ATOM 0 HB3 HIS A 57 -30.719 -2.007 12.003 1.00 3.22 H new ATOM 0 HD2 HIS A 57 -30.735 -4.744 9.280 1.00 3.44 H new ATOM 0 HE1 HIS A 57 -34.610 -4.665 11.004 1.00 70.33 H new ATOM 0 HE2 HIS A 57 -33.043 -5.941 9.455 1.00 52.42 H new ATOM 764 N ASP A 58 -32.426 0.162 11.541 1.00 71.55 N ATOM 765 CA ASP A 58 -33.706 0.762 11.900 1.00 13.23 C ATOM 766 C ASP A 58 -34.085 1.866 10.919 1.00 11.34 C ATOM 767 O ASP A 58 -35.262 2.184 10.752 1.00 71.44 O ATOM 768 CB ASP A 58 -33.648 1.324 13.322 1.00 53.33 C ATOM 769 CG ASP A 58 -33.835 0.250 14.377 1.00 42.31 C ATOM 770 OD1 ASP A 58 -34.498 -0.766 14.078 1.00 32.44 O ATOM 771 OD2 ASP A 58 -33.321 0.426 15.501 1.00 23.33 O ATOM 0 H ASP A 58 -31.712 0.226 12.266 1.00 71.55 H new ATOM 0 HA ASP A 58 -34.469 -0.015 11.854 1.00 13.23 H new ATOM 0 HB2 ASP A 58 -32.688 1.817 13.476 1.00 53.33 H new ATOM 0 HB3 ASP A 58 -34.420 2.084 13.441 1.00 53.33 H new ATOM 775 N SER A 59 -33.079 2.448 10.274 1.00 43.13 N ATOM 776 CA SER A 59 -33.306 3.521 9.312 1.00 41.25 C ATOM 777 C SER A 59 -33.607 2.954 7.928 1.00 64.33 C ATOM 778 O SER A 59 -34.236 3.612 7.100 1.00 71.34 O ATOM 779 CB SER A 59 -32.086 4.440 9.245 1.00 21.55 C ATOM 780 OG SER A 59 -31.962 5.211 10.428 1.00 22.22 O ATOM 0 H SER A 59 -32.099 2.195 10.400 1.00 43.13 H new ATOM 0 HA SER A 59 -34.169 4.098 9.645 1.00 41.25 H new ATOM 0 HB2 SER A 59 -31.185 3.844 9.100 1.00 21.55 H new ATOM 0 HB3 SER A 59 -32.172 5.102 8.383 1.00 21.55 H new ATOM 0 HG SER A 59 -31.343 4.767 11.045 1.00 22.22 H new ATOM 785 N ALA A 60 -33.153 1.729 7.685 1.00 62.25 N ATOM 786 CA ALA A 60 -33.375 1.073 6.403 1.00 73.31 C ATOM 787 C ALA A 60 -34.709 0.334 6.388 1.00 74.23 C ATOM 788 O ALA A 60 -35.034 -0.359 5.423 1.00 33.04 O ATOM 789 CB ALA A 60 -32.235 0.113 6.097 1.00 30.44 C ATOM 0 H ALA A 60 -32.629 1.171 8.359 1.00 62.25 H new ATOM 0 HA ALA A 60 -33.406 1.841 5.631 1.00 73.31 H new ATOM 0 HB1 ALA A 60 -32.414 -0.370 5.136 1.00 30.44 H new ATOM 0 HB2 ALA A 60 -31.296 0.665 6.056 1.00 30.44 H new ATOM 0 HB3 ALA A 60 -32.177 -0.644 6.879 1.00 30.44 H new ATOM 795 N GLU A 61 -35.476 0.486 7.462 1.00 73.05 N ATOM 796 CA GLU A 61 -36.774 -0.169 7.571 1.00 4.21 C ATOM 797 C GLU A 61 -37.720 0.310 6.473 1.00 4.43 C ATOM 798 O GLU A 61 -38.055 -0.439 5.556 1.00 42.33 O ATOM 799 CB GLU A 61 -37.392 0.100 8.945 1.00 51.32 C ATOM 800 CG GLU A 61 -38.721 -0.604 9.164 1.00 62.41 C ATOM 801 CD GLU A 61 -39.891 0.164 8.578 1.00 14.45 C ATOM 802 OE1 GLU A 61 -40.386 1.092 9.250 1.00 63.42 O ATOM 803 OE2 GLU A 61 -40.311 -0.166 7.449 1.00 10.14 O ATOM 0 H GLU A 61 -35.222 1.056 8.268 1.00 73.05 H new ATOM 0 HA GLU A 61 -36.622 -1.242 7.452 1.00 4.21 H new ATOM 0 HB2 GLU A 61 -36.691 -0.217 9.717 1.00 51.32 H new ATOM 0 HB3 GLU A 61 -37.535 1.174 9.066 1.00 51.32 H new ATOM 0 HG2 GLU A 61 -38.681 -1.596 8.715 1.00 62.41 H new ATOM 0 HG3 GLU A 61 -38.882 -0.744 10.233 1.00 62.41 H new ATOM 808 N LYS A 62 -38.148 1.564 6.575 1.00 13.23 N ATOM 809 CA LYS A 62 -39.054 2.146 5.592 1.00 5.25 C ATOM 810 C LYS A 62 -38.340 3.199 4.751 1.00 20.44 C ATOM 811 O LYS A 62 -38.971 3.935 3.994 1.00 5.20 O ATOM 812 CB LYS A 62 -40.263 2.771 6.291 1.00 43.44 C ATOM 813 CG LYS A 62 -41.483 2.901 5.395 1.00 51.05 C ATOM 814 CD LYS A 62 -42.327 1.638 5.415 1.00 61.12 C ATOM 815 CE LYS A 62 -41.911 0.672 4.317 1.00 71.42 C ATOM 816 NZ LYS A 62 -42.988 -0.308 4.002 1.00 34.43 N ATOM 0 H LYS A 62 -37.882 2.197 7.329 1.00 13.23 H new ATOM 0 HA LYS A 62 -39.395 1.349 4.932 1.00 5.25 H new ATOM 0 HB2 LYS A 62 -40.523 2.166 7.159 1.00 43.44 H new ATOM 0 HB3 LYS A 62 -39.988 3.758 6.662 1.00 43.44 H new ATOM 0 HG2 LYS A 62 -42.086 3.748 5.721 1.00 51.05 H new ATOM 0 HG3 LYS A 62 -41.165 3.111 4.374 1.00 51.05 H new ATOM 0 HD2 LYS A 62 -42.231 1.151 6.385 1.00 61.12 H new ATOM 0 HD3 LYS A 62 -43.378 1.900 5.292 1.00 61.12 H new ATOM 0 HE2 LYS A 62 -41.656 1.233 3.418 1.00 71.42 H new ATOM 0 HE3 LYS A 62 -41.012 0.137 4.625 1.00 71.42 H new ATOM 0 HZ1 LYS A 62 -42.665 -0.948 3.249 1.00 34.43 H new ATOM 0 HZ2 LYS A 62 -43.214 -0.861 4.853 1.00 34.43 H new ATOM 0 HZ3 LYS A 62 -43.838 0.200 3.684 1.00 34.43 H new ATOM 826 N GLY A 63 -37.019 3.265 4.889 1.00 71.52 N ATOM 827 CA GLY A 63 -36.241 4.231 4.133 1.00 43.44 C ATOM 828 C GLY A 63 -35.326 3.573 3.120 1.00 51.55 C ATOM 829 O GLY A 63 -34.595 4.252 2.400 1.00 34.23 O ATOM 0 H GLY A 63 -36.474 2.667 5.510 1.00 71.52 H new ATOM 0 HA2 GLY A 63 -36.917 4.914 3.618 1.00 43.44 H new ATOM 0 HA3 GLY A 63 -35.645 4.831 4.821 1.00 43.44 H new ATOM 832 N LYS A 64 -35.364 2.246 3.065 1.00 73.14 N ATOM 833 CA LYS A 64 -34.531 1.494 2.133 1.00 63.12 C ATOM 834 C LYS A 64 -35.355 0.988 0.954 1.00 75.34 C ATOM 835 O LYS A 64 -35.048 -0.052 0.370 1.00 41.40 O ATOM 836 CB LYS A 64 -33.867 0.316 2.848 1.00 15.21 C ATOM 837 CG LYS A 64 -32.592 -0.163 2.175 1.00 13.11 C ATOM 838 CD LYS A 64 -31.480 0.867 2.290 1.00 51.45 C ATOM 839 CE LYS A 64 -30.525 0.530 3.425 1.00 72.22 C ATOM 840 NZ LYS A 64 -29.101 0.677 3.013 1.00 31.51 N ATOM 0 H LYS A 64 -35.963 1.669 3.655 1.00 73.14 H new ATOM 0 HA LYS A 64 -33.759 2.163 1.753 1.00 63.12 H new ATOM 0 HB2 LYS A 64 -33.640 0.606 3.874 1.00 15.21 H new ATOM 0 HB3 LYS A 64 -34.574 -0.512 2.900 1.00 15.21 H new ATOM 0 HG2 LYS A 64 -32.270 -1.100 2.629 1.00 13.11 H new ATOM 0 HG3 LYS A 64 -32.790 -0.370 1.123 1.00 13.11 H new ATOM 0 HD2 LYS A 64 -30.929 0.915 1.351 1.00 51.45 H new ATOM 0 HD3 LYS A 64 -31.912 1.854 2.457 1.00 51.45 H new ATOM 0 HE2 LYS A 64 -30.726 1.182 4.275 1.00 72.22 H new ATOM 0 HE3 LYS A 64 -30.703 -0.492 3.758 1.00 72.22 H new ATOM 0 HZ1 LYS A 64 -28.482 0.439 3.814 1.00 31.51 H new ATOM 0 HZ2 LYS A 64 -28.902 0.036 2.218 1.00 31.51 H new ATOM 0 HZ3 LYS A 64 -28.924 1.659 2.719 1.00 31.51 H new ATOM 850 N ASP A 65 -36.401 1.730 0.607 1.00 31.10 N ATOM 851 CA ASP A 65 -37.267 1.358 -0.506 1.00 55.11 C ATOM 852 C ASP A 65 -37.094 2.321 -1.676 1.00 73.40 C ATOM 853 O ASP A 65 -37.900 2.337 -2.605 1.00 1.32 O ATOM 854 CB ASP A 65 -38.729 1.339 -0.057 1.00 22.35 C ATOM 855 CG ASP A 65 -39.310 2.734 0.082 1.00 15.11 C ATOM 856 OD1 ASP A 65 -39.639 3.346 -0.956 1.00 52.01 O ATOM 857 OD2 ASP A 65 -39.435 3.212 1.228 1.00 72.01 O ATOM 0 H ASP A 65 -36.670 2.593 1.080 1.00 31.10 H new ATOM 0 HA ASP A 65 -36.983 0.359 -0.837 1.00 55.11 H new ATOM 0 HB2 ASP A 65 -39.320 0.772 -0.777 1.00 22.35 H new ATOM 0 HB3 ASP A 65 -38.806 0.819 0.898 1.00 22.35 H new ATOM 861 N ASN A 66 -36.035 3.123 -1.624 1.00 11.14 N ATOM 862 CA ASN A 66 -35.756 4.090 -2.679 1.00 32.34 C ATOM 863 C ASN A 66 -35.856 3.438 -4.055 1.00 14.04 C ATOM 864 O ASN A 66 -36.124 4.107 -5.052 1.00 33.24 O ATOM 865 CB ASN A 66 -34.364 4.696 -2.489 1.00 15.43 C ATOM 866 CG ASN A 66 -33.448 3.799 -1.679 1.00 72.24 C ATOM 867 OD1 ASN A 66 -32.883 4.218 -0.669 1.00 70.42 O ATOM 868 ND2 ASN A 66 -33.296 2.555 -2.121 1.00 65.32 N ATOM 0 H ASN A 66 -35.356 3.122 -0.863 1.00 11.14 H new ATOM 0 HA ASN A 66 -36.501 4.883 -2.617 1.00 32.34 H new ATOM 0 HB2 ASN A 66 -33.916 4.882 -3.465 1.00 15.43 H new ATOM 0 HB3 ASN A 66 -34.456 5.661 -1.991 1.00 15.43 H new ATOM 0 HD21 ASN A 66 -32.692 1.905 -1.618 1.00 65.32 H new ATOM 0 HD22 ASN A 66 -33.784 2.250 -2.963 1.00 65.32 H new ATOM 874 N ALA A 67 -35.638 2.129 -4.100 1.00 54.25 N ATOM 875 CA ALA A 67 -35.706 1.385 -5.352 1.00 75.13 C ATOM 876 C ALA A 67 -37.011 1.668 -6.088 1.00 72.22 C ATOM 877 O ALA A 67 -37.065 1.613 -7.316 1.00 22.40 O ATOM 878 CB ALA A 67 -35.558 -0.106 -5.090 1.00 13.43 C ATOM 0 H ALA A 67 -35.413 1.561 -3.284 1.00 54.25 H new ATOM 0 HA ALA A 67 -34.883 1.714 -5.986 1.00 75.13 H new ATOM 0 HB1 ALA A 67 -35.611 -0.648 -6.034 1.00 13.43 H new ATOM 0 HB2 ALA A 67 -34.596 -0.298 -4.614 1.00 13.43 H new ATOM 0 HB3 ALA A 67 -36.361 -0.442 -4.433 1.00 13.43 H new ATOM 947 N LEU A 74 -35.149 10.238 -13.390 1.00 52.11 N ATOM 948 CA LEU A 74 -36.518 10.486 -13.830 1.00 41.33 C ATOM 949 C LEU A 74 -36.564 10.786 -15.325 1.00 13.12 C ATOM 950 O LEU A 74 -37.638 10.844 -15.923 1.00 15.20 O ATOM 951 CB LEU A 74 -37.123 11.651 -13.045 1.00 44.20 C ATOM 952 CG LEU A 74 -37.400 11.391 -11.563 1.00 73.51 C ATOM 953 CD1 LEU A 74 -38.204 10.113 -11.387 1.00 13.23 C ATOM 954 CD2 LEU A 74 -36.096 11.316 -10.783 1.00 23.03 C ATOM 0 HA LEU A 74 -37.103 9.586 -13.641 1.00 41.33 H new ATOM 0 HB2 LEU A 74 -36.450 12.504 -13.124 1.00 44.20 H new ATOM 0 HB3 LEU A 74 -38.059 11.938 -13.524 1.00 44.20 H new ATOM 0 HG LEU A 74 -37.987 12.221 -11.171 1.00 73.51 H new ATOM 0 HD11 LEU A 74 -38.391 9.944 -10.327 1.00 13.23 H new ATOM 0 HD12 LEU A 74 -39.154 10.205 -11.913 1.00 13.23 H new ATOM 0 HD13 LEU A 74 -37.644 9.272 -11.795 1.00 13.23 H new ATOM 0 HD21 LEU A 74 -36.312 11.131 -9.731 1.00 23.03 H new ATOM 0 HD22 LEU A 74 -35.483 10.505 -11.176 1.00 23.03 H new ATOM 0 HD23 LEU A 74 -35.558 12.259 -10.882 1.00 23.03 H new ATOM 965 N ALA A 75 -35.392 10.974 -15.922 1.00 13.22 N ATOM 966 CA ALA A 75 -35.297 11.263 -17.347 1.00 65.41 C ATOM 967 C ALA A 75 -35.298 9.979 -18.169 1.00 34.45 C ATOM 968 O ALA A 75 -35.807 9.948 -19.289 1.00 45.42 O ATOM 969 CB ALA A 75 -34.047 12.080 -17.638 1.00 75.14 C ATOM 0 H ALA A 75 -34.494 10.931 -15.440 1.00 13.22 H new ATOM 0 HA ALA A 75 -36.172 11.846 -17.634 1.00 65.41 H new ATOM 0 HB1 ALA A 75 -33.989 12.288 -18.706 1.00 75.14 H new ATOM 0 HB2 ALA A 75 -34.090 13.019 -17.087 1.00 75.14 H new ATOM 0 HB3 ALA A 75 -33.165 11.518 -17.330 1.00 75.14 H new ATOM 975 N ASP A 76 -34.721 8.923 -17.606 1.00 74.33 N ATOM 976 CA ASP A 76 -34.655 7.635 -18.288 1.00 35.40 C ATOM 977 C ASP A 76 -36.047 7.164 -18.696 1.00 34.40 C ATOM 978 O ASP A 76 -36.243 6.663 -19.803 1.00 25.01 O ATOM 979 CB ASP A 76 -33.992 6.591 -17.388 1.00 43.33 C ATOM 980 CG ASP A 76 -33.479 5.396 -18.167 1.00 44.01 C ATOM 981 OD1 ASP A 76 -32.921 5.599 -19.266 1.00 30.14 O ATOM 982 OD2 ASP A 76 -33.637 4.257 -17.679 1.00 62.05 O ATOM 0 H ASP A 76 -34.293 8.933 -16.680 1.00 74.33 H new ATOM 0 HA ASP A 76 -34.055 7.759 -19.190 1.00 35.40 H new ATOM 0 HB2 ASP A 76 -33.164 7.053 -16.850 1.00 43.33 H new ATOM 0 HB3 ASP A 76 -34.709 6.253 -16.640 1.00 43.33 H new ATOM 986 N GLN A 77 -37.009 7.326 -17.793 1.00 23.32 N ATOM 987 CA GLN A 77 -38.383 6.915 -18.060 1.00 12.23 C ATOM 988 C GLN A 77 -39.114 7.964 -18.891 1.00 21.04 C ATOM 989 O GLN A 77 -39.891 7.631 -19.784 1.00 71.05 O ATOM 990 CB GLN A 77 -39.129 6.678 -16.746 1.00 63.14 C ATOM 991 CG GLN A 77 -39.823 7.918 -16.208 1.00 1.41 C ATOM 992 CD GLN A 77 -40.419 7.702 -14.830 1.00 24.43 C ATOM 993 OE1 GLN A 77 -40.063 6.755 -14.128 1.00 72.53 O ATOM 994 NE2 GLN A 77 -41.331 8.583 -14.435 1.00 5.11 N ATOM 0 H GLN A 77 -36.863 7.738 -16.872 1.00 23.32 H new ATOM 0 HA GLN A 77 -38.354 5.985 -18.628 1.00 12.23 H new ATOM 0 HB2 GLN A 77 -39.870 5.893 -16.895 1.00 63.14 H new ATOM 0 HB3 GLN A 77 -38.424 6.313 -15.999 1.00 63.14 H new ATOM 0 HG2 GLN A 77 -39.109 8.740 -16.166 1.00 1.41 H new ATOM 0 HG3 GLN A 77 -40.612 8.216 -16.898 1.00 1.41 H new ATOM 0 HE21 GLN A 77 -41.596 9.353 -15.049 1.00 5.11 H new ATOM 0 HE22 GLN A 77 -41.766 8.490 -13.517 1.00 5.11 H new ATOM 1001 N ALA A 78 -38.858 9.233 -18.590 1.00 71.32 N ATOM 1002 CA ALA A 78 -39.490 10.331 -19.311 1.00 30.40 C ATOM 1003 C ALA A 78 -39.525 10.055 -20.811 1.00 63.14 C ATOM 1004 O ALA A 78 -40.460 10.456 -21.504 1.00 13.20 O ATOM 1005 CB ALA A 78 -38.761 11.636 -19.030 1.00 22.23 C ATOM 0 H ALA A 78 -38.218 9.526 -17.852 1.00 71.32 H new ATOM 0 HA ALA A 78 -40.518 10.419 -18.960 1.00 30.40 H new ATOM 0 HB1 ALA A 78 -39.244 12.447 -19.575 1.00 22.23 H new ATOM 0 HB2 ALA A 78 -38.793 11.848 -17.961 1.00 22.23 H new ATOM 0 HB3 ALA A 78 -37.723 11.550 -19.352 1.00 22.23 H new ATOM 1011 N ARG A 79 -38.500 9.370 -21.306 1.00 50.10 N ATOM 1012 CA ARG A 79 -38.412 9.042 -22.723 1.00 63.33 C ATOM 1013 C ARG A 79 -39.348 7.889 -23.073 1.00 61.44 C ATOM 1014 O ARG A 79 -40.264 8.042 -23.883 1.00 24.24 O ATOM 1015 CB ARG A 79 -36.975 8.678 -23.098 1.00 73.02 C ATOM 1016 CG ARG A 79 -35.969 9.775 -22.791 1.00 2.45 C ATOM 1017 CD ARG A 79 -34.555 9.355 -23.162 1.00 3.02 C ATOM 1018 NE ARG A 79 -34.410 9.130 -24.597 1.00 60.30 N ATOM 1019 CZ ARG A 79 -33.330 8.593 -25.151 1.00 72.00 C ATOM 1020 NH1 ARG A 79 -32.305 8.226 -24.395 1.00 1.43 N ATOM 1021 NH2 ARG A 79 -33.272 8.420 -26.466 1.00 64.14 N ATOM 0 H ARG A 79 -37.718 9.031 -20.746 1.00 50.10 H new ATOM 0 HA ARG A 79 -38.716 9.921 -23.292 1.00 63.33 H new ATOM 0 HB2 ARG A 79 -36.687 7.773 -22.563 1.00 73.02 H new ATOM 0 HB3 ARG A 79 -36.934 8.446 -24.162 1.00 73.02 H new ATOM 0 HG2 ARG A 79 -36.237 10.679 -23.338 1.00 2.45 H new ATOM 0 HG3 ARG A 79 -36.010 10.021 -21.730 1.00 2.45 H new ATOM 0 HD2 ARG A 79 -33.853 10.125 -22.843 1.00 3.02 H new ATOM 0 HD3 ARG A 79 -34.295 8.443 -22.624 1.00 3.02 H new ATOM 0 HE ARG A 79 -35.181 9.400 -25.208 1.00 60.30 H new ATOM 0 HH11 ARG A 79 -32.345 8.356 -23.384 1.00 1.43 H new ATOM 0 HH12 ARG A 79 -31.477 7.814 -24.824 1.00 1.43 H new ATOM 0 HH21 ARG A 79 -34.058 8.700 -27.052 1.00 64.14 H new ATOM 0 HH22 ARG A 79 -32.441 8.007 -26.890 1.00 64.14 H new ATOM 1032 N ASP A 80 -39.111 6.734 -22.461 1.00 10.13 N ATOM 1033 CA ASP A 80 -39.933 5.555 -22.707 1.00 30.23 C ATOM 1034 C ASP A 80 -41.286 5.681 -22.013 1.00 74.11 C ATOM 1035 O ASP A 80 -42.333 5.529 -22.643 1.00 5.11 O ATOM 1036 CB ASP A 80 -39.213 4.295 -22.222 1.00 22.34 C ATOM 1037 CG ASP A 80 -39.914 3.023 -22.657 1.00 22.53 C ATOM 1038 OD1 ASP A 80 -41.104 2.857 -22.319 1.00 33.45 O ATOM 1039 OD2 ASP A 80 -39.272 2.195 -23.337 1.00 15.11 O ATOM 0 H ASP A 80 -38.356 6.589 -21.791 1.00 10.13 H new ATOM 0 HA ASP A 80 -40.102 5.478 -23.781 1.00 30.23 H new ATOM 0 HB2 ASP A 80 -38.193 4.293 -22.605 1.00 22.34 H new ATOM 0 HB3 ASP A 80 -39.145 4.315 -21.134 1.00 22.34 H new ATOM 1043 N TYR A 81 -41.256 5.957 -20.715 1.00 23.12 N ATOM 1044 CA TYR A 81 -42.480 6.100 -19.935 1.00 71.21 C ATOM 1045 C TYR A 81 -43.528 6.895 -20.708 1.00 10.43 C ATOM 1046 O TYR A 81 -44.604 6.386 -21.021 1.00 34.14 O ATOM 1047 CB TYR A 81 -42.183 6.787 -18.602 1.00 5.03 C ATOM 1048 CG TYR A 81 -43.192 6.474 -17.521 1.00 41.54 C ATOM 1049 CD1 TYR A 81 -43.615 5.170 -17.294 1.00 53.00 C ATOM 1050 CD2 TYR A 81 -43.725 7.482 -16.726 1.00 54.15 C ATOM 1051 CE1 TYR A 81 -44.538 4.878 -16.308 1.00 41.14 C ATOM 1052 CE2 TYR A 81 -44.648 7.199 -15.738 1.00 30.25 C ATOM 1053 CZ TYR A 81 -45.050 5.897 -15.532 1.00 42.34 C ATOM 1054 OH TYR A 81 -45.971 5.611 -14.549 1.00 21.11 O ATOM 0 H TYR A 81 -40.397 6.086 -20.180 1.00 23.12 H new ATOM 0 HA TYR A 81 -42.876 5.103 -19.741 1.00 71.21 H new ATOM 0 HB2 TYR A 81 -41.192 6.486 -18.261 1.00 5.03 H new ATOM 0 HB3 TYR A 81 -42.153 7.865 -18.758 1.00 5.03 H new ATOM 0 HD1 TYR A 81 -43.215 4.370 -17.899 1.00 53.00 H new ATOM 0 HD2 TYR A 81 -43.412 8.504 -16.883 1.00 54.15 H new ATOM 0 HE1 TYR A 81 -44.856 3.859 -16.146 1.00 41.14 H new ATOM 0 HE2 TYR A 81 -45.053 7.994 -15.130 1.00 30.25 H new ATOM 0 HH TYR A 81 -46.231 6.439 -14.093 1.00 21.11 H new ATOM 1063 N MET A 82 -43.205 8.148 -21.012 1.00 74.24 N ATOM 1064 CA MET A 82 -44.117 9.015 -21.750 1.00 54.54 C ATOM 1065 C MET A 82 -44.587 8.340 -23.035 1.00 45.11 C ATOM 1066 O MET A 82 -45.740 8.488 -23.438 1.00 40.42 O ATOM 1067 CB MET A 82 -43.438 10.345 -22.078 1.00 14.01 C ATOM 1068 CG MET A 82 -42.632 10.314 -23.367 1.00 2.40 C ATOM 1069 SD MET A 82 -41.910 11.915 -23.772 1.00 63.52 S ATOM 1070 CE MET A 82 -43.243 12.661 -24.708 1.00 72.02 C ATOM 0 H MET A 82 -42.319 8.586 -20.759 1.00 74.24 H new ATOM 0 HA MET A 82 -44.986 9.206 -21.121 1.00 54.54 H new ATOM 0 HB2 MET A 82 -44.198 11.123 -22.153 1.00 14.01 H new ATOM 0 HB3 MET A 82 -42.780 10.621 -21.254 1.00 14.01 H new ATOM 0 HG2 MET A 82 -41.837 9.574 -23.276 1.00 2.40 H new ATOM 0 HG3 MET A 82 -43.275 9.992 -24.186 1.00 2.40 H new ATOM 0 HE1 MET A 82 -42.947 13.660 -25.030 1.00 72.02 H new ATOM 0 HE2 MET A 82 -43.461 12.048 -25.582 1.00 72.02 H new ATOM 0 HE3 MET A 82 -44.133 12.730 -24.082 1.00 72.02 H new ATOM 1078 N GLY A 83 -43.688 7.599 -23.674 1.00 12.03 N ATOM 1079 CA GLY A 83 -44.030 6.914 -24.906 1.00 3.23 C ATOM 1080 C GLY A 83 -45.048 5.812 -24.692 1.00 73.42 C ATOM 1081 O GLY A 83 -45.747 5.414 -25.625 1.00 15.32 O ATOM 0 H GLY A 83 -42.727 7.461 -23.360 1.00 12.03 H new ATOM 0 HA2 GLY A 83 -44.425 7.635 -25.622 1.00 3.23 H new ATOM 0 HA3 GLY A 83 -43.127 6.490 -25.345 1.00 3.23 H new ATOM 1084 N ALA A 84 -45.132 5.316 -23.463 1.00 13.21 N ATOM 1085 CA ALA A 84 -46.072 4.253 -23.129 1.00 33.41 C ATOM 1086 C ALA A 84 -47.365 4.823 -22.556 1.00 41.33 C ATOM 1087 O ALA A 84 -48.457 4.350 -22.871 1.00 75.52 O ATOM 1088 CB ALA A 84 -45.441 3.278 -22.146 1.00 22.41 C ATOM 0 H ALA A 84 -44.560 5.633 -22.681 1.00 13.21 H new ATOM 0 HA ALA A 84 -46.317 3.718 -24.047 1.00 33.41 H new ATOM 0 HB1 ALA A 84 -46.155 2.490 -21.906 1.00 22.41 H new ATOM 0 HB2 ALA A 84 -44.550 2.837 -22.592 1.00 22.41 H new ATOM 0 HB3 ALA A 84 -45.166 3.808 -21.234 1.00 22.41 H new ATOM 1094 N ALA A 85 -47.234 5.841 -21.713 1.00 22.31 N ATOM 1095 CA ALA A 85 -48.392 6.477 -21.097 1.00 3.21 C ATOM 1096 C ALA A 85 -48.895 7.641 -21.944 1.00 22.24 C ATOM 1097 O ALA A 85 -49.884 7.517 -22.666 1.00 72.23 O ATOM 1098 CB ALA A 85 -48.049 6.952 -19.693 1.00 42.35 C ATOM 0 H ALA A 85 -46.337 6.243 -21.441 1.00 22.31 H new ATOM 0 HA ALA A 85 -49.190 5.737 -21.033 1.00 3.21 H new ATOM 0 HB1 ALA A 85 -48.923 7.425 -19.245 1.00 42.35 H new ATOM 0 HB2 ALA A 85 -47.746 6.100 -19.085 1.00 42.35 H new ATOM 0 HB3 ALA A 85 -47.232 7.672 -19.742 1.00 42.35 H new ATOM 1104 N LYS A 86 -48.207 8.775 -21.849 1.00 52.14 N ATOM 1105 CA LYS A 86 -48.583 9.963 -22.606 1.00 62.00 C ATOM 1106 C LYS A 86 -48.952 9.600 -24.041 1.00 71.14 C ATOM 1107 O LYS A 86 -49.887 10.161 -24.612 1.00 52.24 O ATOM 1108 CB LYS A 86 -47.437 10.977 -22.604 1.00 24.33 C ATOM 1109 CG LYS A 86 -47.832 12.343 -23.139 1.00 72.24 C ATOM 1110 CD LYS A 86 -47.392 12.525 -24.583 1.00 13.05 C ATOM 1111 CE LYS A 86 -47.426 13.988 -24.996 1.00 45.33 C ATOM 1112 NZ LYS A 86 -48.820 14.510 -25.073 1.00 74.22 N ATOM 0 H LYS A 86 -47.386 8.896 -21.255 1.00 52.14 H new ATOM 0 HA LYS A 86 -49.455 10.408 -22.127 1.00 62.00 H new ATOM 0 HB2 LYS A 86 -47.064 11.089 -21.586 1.00 24.33 H new ATOM 0 HB3 LYS A 86 -46.615 10.585 -23.203 1.00 24.33 H new ATOM 0 HG2 LYS A 86 -48.913 12.463 -23.069 1.00 72.24 H new ATOM 0 HG3 LYS A 86 -47.384 13.121 -22.520 1.00 72.24 H new ATOM 0 HD2 LYS A 86 -46.382 12.134 -24.709 1.00 13.05 H new ATOM 0 HD3 LYS A 86 -48.042 11.946 -25.238 1.00 13.05 H new ATOM 0 HE2 LYS A 86 -46.855 14.581 -24.281 1.00 45.33 H new ATOM 0 HE3 LYS A 86 -46.941 14.103 -25.965 1.00 45.33 H new ATOM 0 HZ1 LYS A 86 -48.801 15.510 -25.357 1.00 74.22 H new ATOM 0 HZ2 LYS A 86 -49.358 13.961 -25.773 1.00 74.22 H new ATOM 0 HZ3 LYS A 86 -49.275 14.424 -24.142 1.00 74.22 H new ATOM 1122 N SER A 87 -48.212 8.659 -24.618 1.00 13.21 N ATOM 1123 CA SER A 87 -48.460 8.222 -25.986 1.00 22.50 C ATOM 1124 C SER A 87 -49.723 7.370 -26.064 1.00 72.42 C ATOM 1125 O SER A 87 -50.747 7.803 -26.594 1.00 53.22 O ATOM 1126 CB SER A 87 -47.263 7.430 -26.517 1.00 21.50 C ATOM 1127 OG SER A 87 -46.955 7.804 -27.850 1.00 1.34 O ATOM 0 H SER A 87 -47.435 8.184 -24.158 1.00 13.21 H new ATOM 0 HA SER A 87 -48.602 9.109 -26.604 1.00 22.50 H new ATOM 0 HB2 SER A 87 -46.397 7.602 -25.878 1.00 21.50 H new ATOM 0 HB3 SER A 87 -47.482 6.363 -26.477 1.00 21.50 H new ATOM 0 HG SER A 87 -46.186 7.285 -28.166 1.00 1.34 H new ATOM 1132 N LYS A 88 -49.642 6.154 -25.534 1.00 22.31 N ATOM 1133 CA LYS A 88 -50.777 5.239 -25.540 1.00 32.32 C ATOM 1134 C LYS A 88 -51.979 5.858 -24.834 1.00 70.43 C ATOM 1135 O LYS A 88 -53.060 5.973 -25.413 1.00 62.50 O ATOM 1136 CB LYS A 88 -50.398 3.920 -24.865 1.00 52.50 C ATOM 1137 CG LYS A 88 -51.031 2.701 -25.512 1.00 75.41 C ATOM 1138 CD LYS A 88 -51.684 1.795 -24.481 1.00 30.23 C ATOM 1139 CE LYS A 88 -52.751 0.913 -25.110 1.00 14.13 C ATOM 1140 NZ LYS A 88 -52.173 -0.028 -26.110 1.00 24.45 N ATOM 0 H LYS A 88 -48.801 5.779 -25.095 1.00 22.31 H new ATOM 0 HA LYS A 88 -51.049 5.044 -26.577 1.00 32.32 H new ATOM 0 HB2 LYS A 88 -49.314 3.810 -24.885 1.00 52.50 H new ATOM 0 HB3 LYS A 88 -50.695 3.960 -23.817 1.00 52.50 H new ATOM 0 HG2 LYS A 88 -51.776 3.021 -26.240 1.00 75.41 H new ATOM 0 HG3 LYS A 88 -50.271 2.143 -26.058 1.00 75.41 H new ATOM 0 HD2 LYS A 88 -50.924 1.170 -24.011 1.00 30.23 H new ATOM 0 HD3 LYS A 88 -52.130 2.401 -23.693 1.00 30.23 H new ATOM 0 HE2 LYS A 88 -53.260 0.347 -24.330 1.00 14.13 H new ATOM 0 HE3 LYS A 88 -53.502 1.539 -25.592 1.00 14.13 H new ATOM 0 HZ1 LYS A 88 -52.929 -0.623 -26.504 1.00 24.45 H new ATOM 0 HZ2 LYS A 88 -51.723 0.513 -26.876 1.00 24.45 H new ATOM 0 HZ3 LYS A 88 -51.462 -0.631 -25.649 1.00 24.45 H new ATOM 1150 N LEU A 89 -51.784 6.256 -23.582 1.00 54.11 N ATOM 1151 CA LEU A 89 -52.852 6.865 -22.797 1.00 72.25 C ATOM 1152 C LEU A 89 -53.579 7.934 -23.606 1.00 2.22 C ATOM 1153 O LEU A 89 -54.798 7.884 -23.765 1.00 4.31 O ATOM 1154 CB LEU A 89 -52.285 7.475 -21.515 1.00 24.12 C ATOM 1155 CG LEU A 89 -53.309 7.889 -20.457 1.00 64.54 C ATOM 1156 CD1 LEU A 89 -52.812 7.535 -19.065 1.00 32.32 C ATOM 1157 CD2 LEU A 89 -53.607 9.378 -20.557 1.00 64.52 C ATOM 0 H LEU A 89 -50.896 6.168 -23.088 1.00 54.11 H new ATOM 0 HA LEU A 89 -53.567 6.086 -22.534 1.00 72.25 H new ATOM 0 HB2 LEU A 89 -51.600 6.756 -21.066 1.00 24.12 H new ATOM 0 HB3 LEU A 89 -51.696 8.352 -21.784 1.00 24.12 H new ATOM 0 HG LEU A 89 -54.233 7.341 -20.640 1.00 64.54 H new ATOM 0 HD11 LEU A 89 -53.554 7.837 -18.326 1.00 32.32 H new ATOM 0 HD12 LEU A 89 -52.651 6.459 -18.999 1.00 32.32 H new ATOM 0 HD13 LEU A 89 -51.874 8.055 -18.871 1.00 32.32 H new ATOM 0 HD21 LEU A 89 -54.337 9.655 -19.797 1.00 64.52 H new ATOM 0 HD22 LEU A 89 -52.689 9.944 -20.401 1.00 64.52 H new ATOM 0 HD23 LEU A 89 -54.009 9.603 -21.545 1.00 64.52 H new ATOM 1168 N ASN A 90 -52.823 8.900 -24.115 1.00 34.21 N ATOM 1169 CA ASN A 90 -53.395 9.982 -24.909 1.00 11.21 C ATOM 1170 C ASN A 90 -53.888 9.465 -26.257 1.00 41.41 C ATOM 1171 O ASN A 90 -55.004 9.768 -26.679 1.00 1.20 O ATOM 1172 CB ASN A 90 -52.360 11.089 -25.122 1.00 75.13 C ATOM 1173 CG ASN A 90 -53.001 12.447 -25.331 1.00 5.11 C ATOM 1174 OD1 ASN A 90 -53.468 13.078 -24.383 1.00 4.41 O ATOM 1175 ND2 ASN A 90 -53.028 12.903 -26.578 1.00 13.33 N ATOM 0 H ASN A 90 -51.812 8.956 -23.992 1.00 34.21 H new ATOM 0 HA ASN A 90 -54.246 10.390 -24.363 1.00 11.21 H new ATOM 0 HB2 ASN A 90 -51.696 11.133 -24.259 1.00 75.13 H new ATOM 0 HB3 ASN A 90 -51.743 10.844 -25.987 1.00 75.13 H new ATOM 0 HD21 ASN A 90 -53.448 13.810 -26.780 1.00 13.33 H new ATOM 0 HD22 ASN A 90 -52.629 12.346 -27.333 1.00 13.33 H new ATOM 1181 N ASP A 91 -53.049 8.684 -26.928 1.00 33.23 N ATOM 1182 CA ASP A 91 -53.399 8.123 -28.228 1.00 1.43 C ATOM 1183 C ASP A 91 -54.492 7.067 -28.087 1.00 32.12 C ATOM 1184 O ASP A 91 -55.102 6.657 -29.073 1.00 54.53 O ATOM 1185 CB ASP A 91 -52.164 7.513 -28.893 1.00 45.24 C ATOM 1186 CG ASP A 91 -51.106 8.550 -29.211 1.00 21.10 C ATOM 1187 OD1 ASP A 91 -51.445 9.752 -29.248 1.00 31.33 O ATOM 1188 OD2 ASP A 91 -49.940 8.160 -29.422 1.00 33.22 O ATOM 0 H ASP A 91 -52.121 8.425 -26.593 1.00 33.23 H new ATOM 0 HA ASP A 91 -53.778 8.930 -28.855 1.00 1.43 H new ATOM 0 HB2 ASP A 91 -51.739 6.754 -28.236 1.00 45.24 H new ATOM 0 HB3 ASP A 91 -52.462 7.008 -29.812 1.00 45.24 H new ATOM 1192 N ALA A 92 -54.730 6.630 -26.855 1.00 4.23 N ATOM 1193 CA ALA A 92 -55.748 5.623 -26.585 1.00 41.20 C ATOM 1194 C ALA A 92 -56.967 6.241 -25.908 1.00 11.01 C ATOM 1195 O ALA A 92 -58.076 5.715 -26.003 1.00 23.43 O ATOM 1196 CB ALA A 92 -55.174 4.508 -25.724 1.00 32.31 C ATOM 0 H ALA A 92 -54.231 6.958 -26.028 1.00 4.23 H new ATOM 0 HA ALA A 92 -56.068 5.203 -27.539 1.00 41.20 H new ATOM 0 HB1 ALA A 92 -55.946 3.763 -25.531 1.00 32.31 H new ATOM 0 HB2 ALA A 92 -54.340 4.039 -26.245 1.00 32.31 H new ATOM 0 HB3 ALA A 92 -54.824 4.922 -24.778 1.00 32.31 H new ATOM 1202 N VAL A 93 -56.754 7.361 -25.224 1.00 25.14 N ATOM 1203 CA VAL A 93 -57.835 8.052 -24.531 1.00 52.12 C ATOM 1204 C VAL A 93 -58.241 9.320 -25.273 1.00 65.12 C ATOM 1205 O VAL A 93 -59.419 9.674 -25.316 1.00 22.34 O ATOM 1206 CB VAL A 93 -57.433 8.419 -23.091 1.00 4.22 C ATOM 1207 CG1 VAL A 93 -56.762 9.784 -23.055 1.00 34.54 C ATOM 1208 CG2 VAL A 93 -58.648 8.391 -22.176 1.00 61.01 C ATOM 0 H VAL A 93 -55.842 7.809 -25.135 1.00 25.14 H new ATOM 0 HA VAL A 93 -58.682 7.366 -24.500 1.00 52.12 H new ATOM 0 HB VAL A 93 -56.718 7.679 -22.732 1.00 4.22 H new ATOM 0 HG11 VAL A 93 -56.485 10.026 -22.029 1.00 34.54 H new ATOM 0 HG12 VAL A 93 -55.868 9.766 -23.678 1.00 34.54 H new ATOM 0 HG13 VAL A 93 -57.452 10.539 -23.432 1.00 34.54 H new ATOM 0 HG21 VAL A 93 -58.346 8.653 -21.162 1.00 61.01 H new ATOM 0 HG22 VAL A 93 -59.387 9.109 -22.531 1.00 61.01 H new ATOM 0 HG23 VAL A 93 -59.082 7.391 -22.178 1.00 61.01 H new ATOM 1218 N GLU A 94 -57.258 9.998 -25.858 1.00 41.45 N ATOM 1219 CA GLU A 94 -57.515 11.227 -26.599 1.00 10.32 C ATOM 1220 C GLU A 94 -57.748 10.933 -28.078 1.00 41.41 C ATOM 1221 O GLU A 94 -58.540 11.604 -28.739 1.00 4.41 O ATOM 1222 CB GLU A 94 -56.343 12.199 -26.439 1.00 45.53 C ATOM 1223 CG GLU A 94 -56.767 13.657 -26.370 1.00 71.51 C ATOM 1224 CD GLU A 94 -56.159 14.386 -25.189 1.00 11.15 C ATOM 1225 OE1 GLU A 94 -56.482 14.024 -24.037 1.00 22.41 O ATOM 1226 OE2 GLU A 94 -55.360 15.318 -25.415 1.00 3.35 O ATOM 0 H GLU A 94 -56.278 9.717 -25.833 1.00 41.45 H new ATOM 0 HA GLU A 94 -58.416 11.685 -26.192 1.00 10.32 H new ATOM 0 HB2 GLU A 94 -55.793 11.946 -25.533 1.00 45.53 H new ATOM 0 HB3 GLU A 94 -55.656 12.068 -27.275 1.00 45.53 H new ATOM 0 HG2 GLU A 94 -56.476 14.160 -27.292 1.00 71.51 H new ATOM 0 HG3 GLU A 94 -57.854 13.713 -26.306 1.00 71.51 H new ATOM 1231 N TYR A 95 -57.051 9.925 -28.592 1.00 3.33 N ATOM 1232 CA TYR A 95 -57.179 9.543 -29.992 1.00 61.52 C ATOM 1233 C TYR A 95 -58.252 8.472 -30.169 1.00 33.41 C ATOM 1234 O TYR A 95 -59.018 8.499 -31.132 1.00 2.51 O ATOM 1235 CB TYR A 95 -55.839 9.033 -30.527 1.00 63.35 C ATOM 1236 CG TYR A 95 -55.955 8.292 -31.841 1.00 51.51 C ATOM 1237 CD1 TYR A 95 -56.235 6.931 -31.872 1.00 2.53 C ATOM 1238 CD2 TYR A 95 -55.786 8.953 -33.051 1.00 20.44 C ATOM 1239 CE1 TYR A 95 -56.341 6.251 -33.068 1.00 34.33 C ATOM 1240 CE2 TYR A 95 -55.890 8.280 -34.253 1.00 23.41 C ATOM 1241 CZ TYR A 95 -56.167 6.930 -34.256 1.00 51.15 C ATOM 1242 OH TYR A 95 -56.274 6.255 -35.452 1.00 21.04 O ATOM 0 H TYR A 95 -56.392 9.358 -28.059 1.00 3.33 H new ATOM 0 HA TYR A 95 -57.477 10.426 -30.558 1.00 61.52 H new ATOM 0 HB2 TYR A 95 -55.163 9.878 -30.654 1.00 63.35 H new ATOM 0 HB3 TYR A 95 -55.389 8.373 -29.786 1.00 63.35 H new ATOM 0 HD1 TYR A 95 -56.372 6.396 -30.944 1.00 2.53 H new ATOM 0 HD2 TYR A 95 -55.570 10.011 -33.052 1.00 20.44 H new ATOM 0 HE1 TYR A 95 -56.559 5.193 -33.074 1.00 34.33 H new ATOM 0 HE2 TYR A 95 -55.755 8.809 -35.185 1.00 23.41 H new ATOM 0 HH TYR A 95 -56.125 6.878 -36.194 1.00 21.04 H new ATOM 1251 N VAL A 96 -58.298 7.531 -29.232 1.00 73.45 N ATOM 1252 CA VAL A 96 -59.277 6.451 -29.283 1.00 14.24 C ATOM 1253 C VAL A 96 -60.550 6.828 -28.534 1.00 15.24 C ATOM 1254 O VAL A 96 -61.636 6.861 -29.113 1.00 24.33 O ATOM 1255 CB VAL A 96 -58.709 5.150 -28.684 1.00 31.43 C ATOM 1256 CG1 VAL A 96 -59.795 4.382 -27.946 1.00 20.34 C ATOM 1257 CG2 VAL A 96 -58.084 4.291 -29.774 1.00 13.15 C ATOM 0 H VAL A 96 -57.670 7.494 -28.429 1.00 73.45 H new ATOM 0 HA VAL A 96 -59.512 6.286 -30.334 1.00 14.24 H new ATOM 0 HB VAL A 96 -57.931 5.410 -27.966 1.00 31.43 H new ATOM 0 HG11 VAL A 96 -59.375 3.466 -27.530 1.00 20.34 H new ATOM 0 HG12 VAL A 96 -60.192 4.998 -27.139 1.00 20.34 H new ATOM 0 HG13 VAL A 96 -60.598 4.130 -28.639 1.00 20.34 H new ATOM 0 HG21 VAL A 96 -57.688 3.376 -29.334 1.00 13.15 H new ATOM 0 HG22 VAL A 96 -58.841 4.038 -30.517 1.00 13.15 H new ATOM 0 HG23 VAL A 96 -57.275 4.843 -30.253 1.00 13.15 H new ATOM 1267 N SER A 97 -60.408 7.112 -27.243 1.00 45.34 N ATOM 1268 CA SER A 97 -61.548 7.484 -26.413 1.00 20.32 C ATOM 1269 C SER A 97 -61.996 8.911 -26.713 1.00 22.10 C ATOM 1270 O SER A 97 -63.110 9.309 -26.376 1.00 53.54 O ATOM 1271 CB SER A 97 -61.192 7.349 -24.931 1.00 22.02 C ATOM 1272 OG SER A 97 -62.305 6.898 -24.178 1.00 53.21 O ATOM 0 H SER A 97 -59.516 7.092 -26.750 1.00 45.34 H new ATOM 0 HA SER A 97 -62.371 6.808 -26.645 1.00 20.32 H new ATOM 0 HB2 SER A 97 -60.363 6.650 -24.815 1.00 22.02 H new ATOM 0 HB3 SER A 97 -60.854 8.311 -24.546 1.00 22.02 H new ATOM 0 HG SER A 97 -62.051 6.818 -23.235 1.00 53.21 H new ATOM 1277 N GLY A 98 -61.117 9.679 -27.350 1.00 22.43 N ATOM 1278 CA GLY A 98 -61.438 11.054 -27.685 1.00 70.12 C ATOM 1279 C GLY A 98 -62.124 11.178 -29.031 1.00 74.24 C ATOM 1280 O GLY A 98 -62.773 12.185 -29.315 1.00 12.24 O ATOM 0 H GLY A 98 -60.188 9.373 -27.640 1.00 22.43 H new ATOM 0 HA2 GLY A 98 -62.083 11.472 -26.912 1.00 70.12 H new ATOM 0 HA3 GLY A 98 -60.523 11.646 -27.691 1.00 70.12 H new ATOM 1283 N ARG A 99 -61.981 10.151 -29.863 1.00 72.22 N ATOM 1284 CA ARG A 99 -62.590 10.150 -31.187 1.00 32.21 C ATOM 1285 C ARG A 99 -64.013 9.603 -31.131 1.00 12.01 C ATOM 1286 O ARG A 99 -64.964 10.274 -31.532 1.00 43.11 O ATOM 1287 CB ARG A 99 -61.750 9.317 -32.159 1.00 4.44 C ATOM 1288 CG ARG A 99 -60.707 10.128 -32.909 1.00 71.45 C ATOM 1289 CD ARG A 99 -61.208 10.543 -34.284 1.00 40.01 C ATOM 1290 NE ARG A 99 -61.861 11.849 -34.257 1.00 24.02 N ATOM 1291 CZ ARG A 99 -62.392 12.428 -35.329 1.00 0.24 C ATOM 1292 NH1 ARG A 99 -62.347 11.819 -36.505 1.00 62.22 N ATOM 1293 NH2 ARG A 99 -62.969 13.618 -35.223 1.00 34.30 N ATOM 0 H ARG A 99 -61.449 9.309 -29.643 1.00 72.22 H new ATOM 0 HA ARG A 99 -62.629 11.180 -31.541 1.00 32.21 H new ATOM 0 HB2 ARG A 99 -61.251 8.522 -31.606 1.00 4.44 H new ATOM 0 HB3 ARG A 99 -62.412 8.837 -32.879 1.00 4.44 H new ATOM 0 HG2 ARG A 99 -60.450 11.016 -32.331 1.00 71.45 H new ATOM 0 HG3 ARG A 99 -59.795 9.541 -33.015 1.00 71.45 H new ATOM 0 HD2 ARG A 99 -60.371 10.570 -34.982 1.00 40.01 H new ATOM 0 HD3 ARG A 99 -61.908 9.795 -34.656 1.00 40.01 H new ATOM 0 HE ARG A 99 -61.912 12.344 -33.367 1.00 24.02 H new ATOM 0 HH11 ARG A 99 -61.904 10.904 -36.589 1.00 62.22 H new ATOM 0 HH12 ARG A 99 -62.755 12.265 -37.326 1.00 62.22 H new ATOM 0 HH21 ARG A 99 -63.005 14.089 -34.319 1.00 34.30 H new ATOM 0 HH22 ARG A 99 -63.376 14.062 -36.046 1.00 34.30 H new ATOM 1304 N VAL A 100 -64.152 8.379 -30.632 1.00 53.12 N ATOM 1305 CA VAL A 100 -65.458 7.742 -30.523 1.00 43.33 C ATOM 1306 C VAL A 100 -66.401 8.567 -29.655 1.00 43.33 C ATOM 1307 O VAL A 100 -67.621 8.503 -29.810 1.00 63.04 O ATOM 1308 CB VAL A 100 -65.343 6.323 -29.932 1.00 22.10 C ATOM 1309 CG1 VAL A 100 -66.695 5.626 -29.951 1.00 73.54 C ATOM 1310 CG2 VAL A 100 -64.304 5.513 -30.692 1.00 52.40 C ATOM 0 H VAL A 100 -63.375 7.809 -30.297 1.00 53.12 H new ATOM 0 HA VAL A 100 -65.863 7.675 -31.533 1.00 43.33 H new ATOM 0 HB VAL A 100 -65.018 6.404 -28.895 1.00 22.10 H new ATOM 0 HG11 VAL A 100 -66.595 4.626 -29.530 1.00 73.54 H new ATOM 0 HG12 VAL A 100 -67.408 6.199 -29.358 1.00 73.54 H new ATOM 0 HG13 VAL A 100 -67.052 5.553 -30.978 1.00 73.54 H new ATOM 0 HG21 VAL A 100 -64.236 4.514 -30.262 1.00 52.40 H new ATOM 0 HG22 VAL A 100 -64.596 5.438 -31.739 1.00 52.40 H new ATOM 0 HG23 VAL A 100 -63.335 6.006 -30.620 1.00 52.40 H new ATOM 1320 N HIS A 101 -65.829 9.342 -28.740 1.00 22.42 N ATOM 1321 CA HIS A 101 -66.619 10.183 -27.847 1.00 54.01 C ATOM 1322 C HIS A 101 -66.723 11.605 -28.390 1.00 0.14 C ATOM 1323 O HIS A 101 -66.891 12.559 -27.631 1.00 64.42 O ATOM 1324 CB HIS A 101 -65.999 10.202 -26.449 1.00 21.03 C ATOM 1325 CG HIS A 101 -66.954 10.628 -25.377 1.00 32.22 C ATOM 1326 ND1 HIS A 101 -67.830 9.760 -24.761 1.00 12.34 N ATOM 1327 CD2 HIS A 101 -67.165 11.839 -24.810 1.00 2.21 C ATOM 1328 CE1 HIS A 101 -68.541 10.419 -23.862 1.00 35.43 C ATOM 1329 NE2 HIS A 101 -68.156 11.682 -23.872 1.00 23.31 N ATOM 0 H HIS A 101 -64.821 9.406 -28.597 1.00 22.42 H new ATOM 0 HA HIS A 101 -67.623 9.763 -27.785 1.00 54.01 H new ATOM 0 HB2 HIS A 101 -65.622 9.207 -26.214 1.00 21.03 H new ATOM 0 HB3 HIS A 101 -65.142 10.876 -26.450 1.00 21.03 H new ATOM 0 HD2 HIS A 101 -66.650 12.757 -25.050 1.00 2.21 H new ATOM 0 HE1 HIS A 101 -69.306 9.996 -23.228 1.00 35.43 H new ATOM 0 HE2 HIS A 101 -68.533 12.421 -23.279 1.00 23.31 H new