USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=10 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= -1.28 K(o=-1.3,f=-5!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.19 K(o=-0.19,f=-1.6) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -1.1 K(o=-1.1,f=-2.3!) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 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= -3.99! K(o=-4!,f=-0.53) USER MOD Single : A 77 GLN : amide:sc= -1.9 K(o=-1.9,f=-2.8!) 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 -35:sc= 0.00664 USER MOD Single : A 88 LYS NZ :NH3+ -167:sc=-0.00405 (180deg=-0.0967) USER MOD Single : A 90 ASN : amide:sc= -2.85! C(o=-2.9!,f=-2.9!) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot -73:sc= 0.137 USER MOD Single : A 101 HIS : no HD1:sc= -0.0602 X(o=-0.06,f=-0.0051) USER MOD ----------------------------------------------------------------- ATOM 280 N LYS A 23 -5.793 31.818 16.868 1.00 61.52 N ATOM 281 CA LYS A 23 -6.962 31.323 16.152 1.00 51.43 C ATOM 282 C LYS A 23 -6.563 30.730 14.803 1.00 24.40 C ATOM 283 O LYS A 23 -6.589 29.514 14.618 1.00 3.02 O ATOM 284 CB LYS A 23 -7.974 32.452 15.945 1.00 75.12 C ATOM 285 CG LYS A 23 -7.333 33.805 15.688 1.00 30.10 C ATOM 286 CD LYS A 23 -7.582 34.767 16.837 1.00 13.02 C ATOM 287 CE LYS A 23 -6.488 34.673 17.890 1.00 4.31 C ATOM 288 NZ LYS A 23 -6.710 35.631 19.007 1.00 65.13 N ATOM 0 HA LYS A 23 -7.420 30.538 16.753 1.00 51.43 H new ATOM 0 HB2 LYS A 23 -8.620 32.200 15.104 1.00 75.12 H new ATOM 0 HB3 LYS A 23 -8.612 32.523 16.826 1.00 75.12 H new ATOM 0 HG2 LYS A 23 -6.260 33.679 15.544 1.00 30.10 H new ATOM 0 HG3 LYS A 23 -7.731 34.228 14.765 1.00 30.10 H new ATOM 0 HD2 LYS A 23 -7.634 35.786 16.455 1.00 13.02 H new ATOM 0 HD3 LYS A 23 -8.547 34.548 17.293 1.00 13.02 H new ATOM 0 HE2 LYS A 23 -6.450 33.658 18.285 1.00 4.31 H new ATOM 0 HE3 LYS A 23 -5.521 34.872 17.428 1.00 4.31 H new ATOM 0 HZ1 LYS A 23 -5.943 35.536 19.703 1.00 65.13 H new ATOM 0 HZ2 LYS A 23 -6.721 36.602 18.635 1.00 65.13 H new ATOM 0 HZ3 LYS A 23 -7.621 35.425 19.465 1.00 65.13 H new ATOM 298 N SER A 24 -6.194 31.598 13.867 1.00 4.21 N ATOM 299 CA SER A 24 -5.792 31.160 12.536 1.00 43.50 C ATOM 300 C SER A 24 -4.838 29.972 12.620 1.00 3.13 C ATOM 301 O SER A 24 -4.787 29.139 11.716 1.00 51.32 O ATOM 302 CB SER A 24 -5.127 32.311 11.776 1.00 62.35 C ATOM 303 OG SER A 24 -5.350 32.199 10.382 1.00 74.32 O ATOM 0 H SER A 24 -6.165 32.608 14.006 1.00 4.21 H new ATOM 0 HA SER A 24 -6.687 30.848 11.997 1.00 43.50 H new ATOM 0 HB2 SER A 24 -5.520 33.262 12.135 1.00 62.35 H new ATOM 0 HB3 SER A 24 -4.056 32.312 11.977 1.00 62.35 H new ATOM 0 HG SER A 24 -4.916 32.947 9.920 1.00 74.32 H new ATOM 308 N TYR A 25 -4.083 29.903 13.711 1.00 22.14 N ATOM 309 CA TYR A 25 -3.129 28.821 13.913 1.00 53.23 C ATOM 310 C TYR A 25 -3.783 27.645 14.634 1.00 2.33 C ATOM 311 O TYR A 25 -3.778 26.519 14.139 1.00 43.41 O ATOM 312 CB TYR A 25 -1.924 29.317 14.714 1.00 13.42 C ATOM 313 CG TYR A 25 -1.167 30.436 14.036 1.00 4.33 C ATOM 314 CD1 TYR A 25 -1.765 31.670 13.812 1.00 64.42 C ATOM 315 CD2 TYR A 25 0.147 30.261 13.617 1.00 74.34 C ATOM 316 CE1 TYR A 25 -1.077 32.696 13.194 1.00 12.04 C ATOM 317 CE2 TYR A 25 0.843 31.280 12.999 1.00 33.44 C ATOM 318 CZ TYR A 25 0.226 32.497 12.789 1.00 14.32 C ATOM 319 OH TYR A 25 0.915 33.515 12.172 1.00 50.22 O ATOM 0 H TYR A 25 -4.114 30.585 14.469 1.00 22.14 H new ATOM 0 HA TYR A 25 -2.791 28.482 12.934 1.00 53.23 H new ATOM 0 HB2 TYR A 25 -2.264 29.659 15.691 1.00 13.42 H new ATOM 0 HB3 TYR A 25 -1.245 28.482 14.887 1.00 13.42 H new ATOM 0 HD1 TYR A 25 -2.786 31.830 14.127 1.00 64.42 H new ATOM 0 HD2 TYR A 25 0.632 29.310 13.778 1.00 74.34 H new ATOM 0 HE1 TYR A 25 -1.557 33.649 13.029 1.00 12.04 H new ATOM 0 HE2 TYR A 25 1.864 31.126 12.682 1.00 33.44 H new ATOM 0 HH TYR A 25 1.820 33.211 11.951 1.00 50.22 H new ATOM 328 N ALA A 26 -4.347 27.918 15.806 1.00 43.31 N ATOM 329 CA ALA A 26 -5.007 26.886 16.594 1.00 75.41 C ATOM 330 C ALA A 26 -6.323 26.461 15.950 1.00 54.30 C ATOM 331 O ALA A 26 -6.578 25.270 15.767 1.00 24.11 O ATOM 332 CB ALA A 26 -5.248 27.379 18.013 1.00 74.44 C ATOM 0 H ALA A 26 -4.360 28.846 16.230 1.00 43.31 H new ATOM 0 HA ALA A 26 -4.352 26.016 16.629 1.00 75.41 H new ATOM 0 HB1 ALA A 26 -5.742 26.598 18.591 1.00 74.44 H new ATOM 0 HB2 ALA A 26 -4.294 27.627 18.479 1.00 74.44 H new ATOM 0 HB3 ALA A 26 -5.881 28.266 17.987 1.00 74.44 H new ATOM 338 N GLU A 27 -7.154 27.440 15.608 1.00 64.23 N ATOM 339 CA GLU A 27 -8.443 27.166 14.986 1.00 51.35 C ATOM 340 C GLU A 27 -8.280 26.237 13.786 1.00 14.12 C ATOM 341 O GLU A 27 -8.877 25.162 13.736 1.00 34.43 O ATOM 342 CB GLU A 27 -9.111 28.471 14.548 1.00 15.53 C ATOM 343 CG GLU A 27 -10.554 28.296 14.106 1.00 0.13 C ATOM 344 CD GLU A 27 -11.543 28.883 15.095 1.00 1.40 C ATOM 345 OE1 GLU A 27 -11.577 28.411 16.250 1.00 31.22 O ATOM 346 OE2 GLU A 27 -12.281 29.815 14.713 1.00 24.14 O ATOM 0 H GLU A 27 -6.957 28.430 15.751 1.00 64.23 H new ATOM 0 HA GLU A 27 -9.076 26.672 15.723 1.00 51.35 H new ATOM 0 HB2 GLU A 27 -9.076 29.182 15.373 1.00 15.53 H new ATOM 0 HB3 GLU A 27 -8.539 28.905 13.728 1.00 15.53 H new ATOM 0 HG2 GLU A 27 -10.692 28.771 13.135 1.00 0.13 H new ATOM 0 HG3 GLU A 27 -10.764 27.234 13.975 1.00 0.13 H new ATOM 351 N GLN A 28 -7.469 26.660 12.822 1.00 24.34 N ATOM 352 CA GLN A 28 -7.230 25.867 11.623 1.00 0.31 C ATOM 353 C GLN A 28 -6.881 24.427 11.983 1.00 1.15 C ATOM 354 O GLN A 28 -7.305 23.489 11.309 1.00 42.42 O ATOM 355 CB GLN A 28 -6.102 26.485 10.794 1.00 4.43 C ATOM 356 CG GLN A 28 -6.588 27.477 9.748 1.00 74.24 C ATOM 357 CD GLN A 28 -7.736 28.334 10.245 1.00 61.25 C ATOM 358 OE1 GLN A 28 -7.663 28.925 11.323 1.00 1.21 O ATOM 359 NE2 GLN A 28 -8.805 28.404 9.462 1.00 21.01 N ATOM 0 H GLN A 28 -6.967 27.547 12.848 1.00 24.34 H new ATOM 0 HA GLN A 28 -8.146 25.863 11.032 1.00 0.31 H new ATOM 0 HB2 GLN A 28 -5.404 26.988 11.463 1.00 4.43 H new ATOM 0 HB3 GLN A 28 -5.549 25.688 10.297 1.00 4.43 H new ATOM 0 HG2 GLN A 28 -5.760 28.121 9.452 1.00 74.24 H new ATOM 0 HG3 GLN A 28 -6.904 26.934 8.857 1.00 74.24 H new ATOM 0 HE21 GLN A 28 -8.823 27.898 8.577 1.00 21.01 H new ATOM 0 HE22 GLN A 28 -9.609 28.964 9.745 1.00 21.01 H new ATOM 366 N GLY A 29 -6.106 24.260 13.050 1.00 53.44 N ATOM 367 CA GLY A 29 -5.713 22.930 13.480 1.00 32.14 C ATOM 368 C GLY A 29 -6.840 22.187 14.169 1.00 32.41 C ATOM 369 O GLY A 29 -6.912 20.960 14.111 1.00 20.31 O ATOM 0 H GLY A 29 -5.743 25.021 13.624 1.00 53.44 H new ATOM 0 HA2 GLY A 29 -5.379 22.356 12.616 1.00 32.14 H new ATOM 0 HA3 GLY A 29 -4.864 23.007 14.159 1.00 32.14 H new ATOM 372 N LYS A 30 -7.724 22.933 14.824 1.00 72.04 N ATOM 373 CA LYS A 30 -8.854 22.338 15.528 1.00 70.33 C ATOM 374 C LYS A 30 -9.965 21.960 14.553 1.00 21.35 C ATOM 375 O LYS A 30 -10.478 20.842 14.586 1.00 40.44 O ATOM 376 CB LYS A 30 -9.394 23.308 16.581 1.00 25.11 C ATOM 377 CG LYS A 30 -8.962 22.970 17.998 1.00 30.15 C ATOM 378 CD LYS A 30 -9.154 24.150 18.936 1.00 10.41 C ATOM 379 CE LYS A 30 -10.572 24.206 19.480 1.00 73.24 C ATOM 380 NZ LYS A 30 -10.707 23.449 20.756 1.00 74.40 N ATOM 0 H LYS A 30 -7.679 23.950 14.882 1.00 72.04 H new ATOM 0 HA LYS A 30 -8.505 21.432 16.023 1.00 70.33 H new ATOM 0 HB2 LYS A 30 -9.060 24.317 16.339 1.00 25.11 H new ATOM 0 HB3 LYS A 30 -10.483 23.313 16.534 1.00 25.11 H new ATOM 0 HG2 LYS A 30 -9.537 22.118 18.361 1.00 30.15 H new ATOM 0 HG3 LYS A 30 -7.914 22.671 17.998 1.00 30.15 H new ATOM 0 HD2 LYS A 30 -8.449 24.076 19.764 1.00 10.41 H new ATOM 0 HD3 LYS A 30 -8.929 25.076 18.407 1.00 10.41 H new ATOM 0 HE2 LYS A 30 -10.858 25.245 19.642 1.00 73.24 H new ATOM 0 HE3 LYS A 30 -11.261 23.798 18.741 1.00 73.24 H new ATOM 0 HZ1 LYS A 30 -11.688 23.511 21.095 1.00 74.40 H new ATOM 0 HZ2 LYS A 30 -10.459 22.452 20.596 1.00 74.40 H new ATOM 0 HZ3 LYS A 30 -10.068 23.855 21.470 1.00 74.40 H new ATOM 390 N GLU A 31 -10.330 22.899 13.687 1.00 22.23 N ATOM 391 CA GLU A 31 -11.380 22.664 12.703 1.00 1.23 C ATOM 392 C GLU A 31 -11.184 21.318 12.009 1.00 64.22 C ATOM 393 O GLU A 31 -12.148 20.671 11.602 1.00 14.05 O ATOM 394 CB GLU A 31 -11.397 23.787 11.663 1.00 71.12 C ATOM 395 CG GLU A 31 -10.083 23.947 10.918 1.00 12.25 C ATOM 396 CD GLU A 31 -10.217 24.813 9.680 1.00 42.33 C ATOM 397 OE1 GLU A 31 -11.156 25.634 9.628 1.00 63.22 O ATOM 398 OE2 GLU A 31 -9.381 24.669 8.763 1.00 53.24 O ATOM 0 H GLU A 31 -9.914 23.830 13.646 1.00 22.23 H new ATOM 0 HA GLU A 31 -12.336 22.649 13.227 1.00 1.23 H new ATOM 0 HB2 GLU A 31 -12.192 23.592 10.943 1.00 71.12 H new ATOM 0 HB3 GLU A 31 -11.640 24.727 12.159 1.00 71.12 H new ATOM 0 HG2 GLU A 31 -9.342 24.386 11.586 1.00 12.25 H new ATOM 0 HG3 GLU A 31 -9.710 22.964 10.631 1.00 12.25 H new ATOM 403 N TYR A 32 -9.929 20.904 11.880 1.00 43.14 N ATOM 404 CA TYR A 32 -9.603 19.637 11.235 1.00 32.44 C ATOM 405 C TYR A 32 -9.830 18.467 12.187 1.00 4.45 C ATOM 406 O TYR A 32 -10.260 17.390 11.773 1.00 70.53 O ATOM 407 CB TYR A 32 -8.153 19.644 10.752 1.00 63.01 C ATOM 408 CG TYR A 32 -7.689 18.311 10.210 1.00 43.52 C ATOM 409 CD1 TYR A 32 -7.477 17.230 11.057 1.00 62.30 C ATOM 410 CD2 TYR A 32 -7.461 18.132 8.851 1.00 63.42 C ATOM 411 CE1 TYR A 32 -7.053 16.010 10.567 1.00 44.14 C ATOM 412 CE2 TYR A 32 -7.038 16.915 8.352 1.00 2.52 C ATOM 413 CZ TYR A 32 -6.835 15.857 9.214 1.00 2.14 C ATOM 414 OH TYR A 32 -6.412 14.645 8.721 1.00 32.32 O ATOM 0 H TYR A 32 -9.120 21.427 12.214 1.00 43.14 H new ATOM 0 HA TYR A 32 -10.263 19.515 10.376 1.00 32.44 H new ATOM 0 HB2 TYR A 32 -8.041 20.401 9.976 1.00 63.01 H new ATOM 0 HB3 TYR A 32 -7.505 19.936 11.578 1.00 63.01 H new ATOM 0 HD1 TYR A 32 -7.647 17.346 12.117 1.00 62.30 H new ATOM 0 HD2 TYR A 32 -7.617 18.958 8.173 1.00 63.42 H new ATOM 0 HE1 TYR A 32 -6.893 15.181 11.240 1.00 44.14 H new ATOM 0 HE2 TYR A 32 -6.867 16.793 7.293 1.00 2.52 H new ATOM 0 HH TYR A 32 -6.307 14.706 7.749 1.00 32.32 H new ATOM 423 N ILE A 33 -9.535 18.687 13.464 1.00 70.23 N ATOM 424 CA ILE A 33 -9.708 17.652 14.476 1.00 5.10 C ATOM 425 C ILE A 33 -11.142 17.620 14.991 1.00 73.41 C ATOM 426 O ILE A 33 -11.830 16.604 14.886 1.00 54.52 O ATOM 427 CB ILE A 33 -8.751 17.863 15.665 1.00 33.25 C ATOM 428 CG1 ILE A 33 -7.354 17.339 15.324 1.00 75.43 C ATOM 429 CG2 ILE A 33 -9.292 17.174 16.908 1.00 74.43 C ATOM 430 CD1 ILE A 33 -6.647 18.152 14.262 1.00 71.43 C ATOM 0 H ILE A 33 -9.175 19.572 13.822 1.00 70.23 H new ATOM 0 HA ILE A 33 -9.476 16.701 13.997 1.00 5.10 H new ATOM 0 HB ILE A 33 -8.678 18.931 15.868 1.00 33.25 H new ATOM 0 HG12 ILE A 33 -6.747 17.332 16.229 1.00 75.43 H new ATOM 0 HG13 ILE A 33 -7.435 16.306 14.986 1.00 75.43 H new ATOM 0 HG21 ILE A 33 -8.605 17.332 17.740 1.00 74.43 H new ATOM 0 HG22 ILE A 33 -10.268 17.590 17.159 1.00 74.43 H new ATOM 0 HG23 ILE A 33 -9.391 16.105 16.717 1.00 74.43 H new ATOM 0 HD11 ILE A 33 -5.663 17.724 14.071 1.00 71.43 H new ATOM 0 HD12 ILE A 33 -7.233 18.139 13.343 1.00 71.43 H new ATOM 0 HD13 ILE A 33 -6.534 19.180 14.606 1.00 71.43 H new ATOM 441 N THR A 34 -11.591 18.741 15.548 1.00 64.42 N ATOM 442 CA THR A 34 -12.944 18.843 16.079 1.00 73.25 C ATOM 443 C THR A 34 -13.915 17.984 15.277 1.00 52.13 C ATOM 444 O THR A 34 -14.704 17.228 15.844 1.00 32.24 O ATOM 445 CB THR A 34 -13.441 20.300 16.075 1.00 22.21 C ATOM 446 OG1 THR A 34 -14.847 20.339 16.342 1.00 74.43 O ATOM 447 CG2 THR A 34 -13.155 20.965 14.738 1.00 21.31 C ATOM 0 H THR A 34 -11.036 19.592 15.643 1.00 64.42 H new ATOM 0 HA THR A 34 -12.908 18.483 17.107 1.00 73.25 H new ATOM 0 HB THR A 34 -12.909 20.844 16.855 1.00 22.21 H new ATOM 0 HG1 THR A 34 -15.155 21.269 16.339 1.00 74.43 H new ATOM 0 HG21 THR A 34 -13.515 21.994 14.759 1.00 21.31 H new ATOM 0 HG22 THR A 34 -12.081 20.960 14.552 1.00 21.31 H new ATOM 0 HG23 THR A 34 -13.664 20.419 13.944 1.00 21.31 H new ATOM 604 N PRO A 46 -9.575 -0.162 18.061 1.00 31.43 N ATOM 605 CA PRO A 46 -9.203 -0.907 19.268 1.00 0.21 C ATOM 606 C PRO A 46 -7.904 -1.687 19.090 1.00 31.01 C ATOM 607 O PRO A 46 -7.228 -2.014 20.064 1.00 33.54 O ATOM 608 CB PRO A 46 -10.378 -1.865 19.471 1.00 15.25 C ATOM 609 CG PRO A 46 -10.964 -2.040 18.112 1.00 64.51 C ATOM 610 CD PRO A 46 -10.765 -0.728 17.404 1.00 33.33 C ATOM 0 HA PRO A 46 -9.024 -0.246 20.116 1.00 0.21 H new ATOM 0 HB2 PRO A 46 -10.045 -2.817 19.884 1.00 15.25 H new ATOM 0 HB3 PRO A 46 -11.109 -1.453 20.167 1.00 15.25 H new ATOM 0 HG2 PRO A 46 -10.472 -2.851 17.576 1.00 64.51 H new ATOM 0 HG3 PRO A 46 -12.022 -2.294 18.173 1.00 64.51 H new ATOM 0 HD2 PRO A 46 -10.605 -0.869 16.335 1.00 33.33 H new ATOM 0 HD3 PRO A 46 -11.632 -0.077 17.514 1.00 33.33 H new ATOM 615 N GLU A 47 -7.563 -1.980 17.839 1.00 53.30 N ATOM 616 CA GLU A 47 -6.345 -2.722 17.535 1.00 62.04 C ATOM 617 C GLU A 47 -5.166 -1.775 17.335 1.00 45.14 C ATOM 618 O GLU A 47 -4.047 -2.208 17.060 1.00 52.11 O ATOM 619 CB GLU A 47 -6.543 -3.579 16.283 1.00 52.32 C ATOM 620 CG GLU A 47 -7.865 -4.328 16.260 1.00 64.20 C ATOM 621 CD GLU A 47 -7.747 -5.701 15.630 1.00 72.23 C ATOM 622 OE1 GLU A 47 -7.886 -5.800 14.392 1.00 63.43 O ATOM 623 OE2 GLU A 47 -7.517 -6.678 16.373 1.00 21.20 O ATOM 0 H GLU A 47 -8.112 -1.715 17.021 1.00 53.30 H new ATOM 0 HA GLU A 47 -6.126 -3.373 18.382 1.00 62.04 H new ATOM 0 HB2 GLU A 47 -6.482 -2.940 15.402 1.00 52.32 H new ATOM 0 HB3 GLU A 47 -5.727 -4.298 16.212 1.00 52.32 H new ATOM 0 HG2 GLU A 47 -8.238 -4.431 17.279 1.00 64.20 H new ATOM 0 HG3 GLU A 47 -8.601 -3.742 15.709 1.00 64.20 H new ATOM 628 N ASP A 48 -5.425 -0.479 17.475 1.00 71.23 N ATOM 629 CA ASP A 48 -4.387 0.531 17.310 1.00 42.21 C ATOM 630 C ASP A 48 -3.664 0.787 18.629 1.00 4.53 C ATOM 631 O ASP A 48 -2.901 1.745 18.755 1.00 14.41 O ATOM 632 CB ASP A 48 -4.990 1.833 16.783 1.00 22.43 C ATOM 633 CG ASP A 48 -3.967 2.704 16.082 1.00 71.42 C ATOM 634 OD1 ASP A 48 -2.811 2.257 15.934 1.00 0.42 O ATOM 635 OD2 ASP A 48 -4.322 3.833 15.683 1.00 13.03 O ATOM 0 H ASP A 48 -6.346 -0.104 17.703 1.00 71.23 H new ATOM 0 HA ASP A 48 -3.663 0.157 16.586 1.00 42.21 H new ATOM 0 HB2 ASP A 48 -5.800 1.601 16.091 1.00 22.43 H new ATOM 0 HB3 ASP A 48 -5.428 2.388 17.612 1.00 22.43 H new ATOM 639 N ASN A 49 -3.911 -0.074 19.610 1.00 50.24 N ATOM 640 CA ASN A 49 -3.285 0.059 20.921 1.00 24.22 C ATOM 641 C ASN A 49 -1.767 -0.046 20.813 1.00 13.23 C ATOM 642 O ASN A 49 -1.036 0.441 21.675 1.00 2.22 O ATOM 643 CB ASN A 49 -3.816 -1.012 21.875 1.00 43.44 C ATOM 644 CG ASN A 49 -3.386 -2.409 21.471 1.00 42.41 C ATOM 645 OD1 ASN A 49 -2.218 -2.775 21.606 1.00 1.43 O ATOM 646 ND2 ASN A 49 -4.331 -3.198 20.972 1.00 3.13 N ATOM 0 H ASN A 49 -4.540 -0.872 19.523 1.00 50.24 H new ATOM 0 HA ASN A 49 -3.535 1.043 21.317 1.00 24.22 H new ATOM 0 HB2 ASN A 49 -3.462 -0.803 22.885 1.00 43.44 H new ATOM 0 HB3 ASN A 49 -4.905 -0.963 21.902 1.00 43.44 H new ATOM 0 HD21 ASN A 49 -4.101 -4.149 20.683 1.00 3.13 H new ATOM 0 HD22 ASN A 49 -5.286 -2.853 20.878 1.00 3.13 H new ATOM 652 N LYS A 50 -1.299 -0.686 19.746 1.00 63.45 N ATOM 653 CA LYS A 50 0.132 -0.856 19.522 1.00 25.21 C ATOM 654 C LYS A 50 0.691 0.291 18.685 1.00 72.42 C ATOM 655 O LYS A 50 1.892 0.558 18.705 1.00 14.43 O ATOM 656 CB LYS A 50 0.405 -2.190 18.825 1.00 13.01 C ATOM 657 CG LYS A 50 1.836 -2.339 18.336 1.00 33.22 C ATOM 658 CD LYS A 50 2.822 -2.339 19.492 1.00 32.13 C ATOM 659 CE LYS A 50 3.892 -3.405 19.311 1.00 62.53 C ATOM 660 NZ LYS A 50 3.387 -4.762 19.660 1.00 32.43 N ATOM 0 H LYS A 50 -1.890 -1.096 19.023 1.00 63.45 H new ATOM 0 HA LYS A 50 0.630 -0.852 20.492 1.00 25.21 H new ATOM 0 HB2 LYS A 50 0.179 -3.004 19.514 1.00 13.01 H new ATOM 0 HB3 LYS A 50 -0.272 -2.293 17.977 1.00 13.01 H new ATOM 0 HG2 LYS A 50 1.934 -3.267 17.772 1.00 33.22 H new ATOM 0 HG3 LYS A 50 2.075 -1.524 17.653 1.00 33.22 H new ATOM 0 HD2 LYS A 50 3.293 -1.359 19.570 1.00 32.13 H new ATOM 0 HD3 LYS A 50 2.289 -2.512 20.427 1.00 32.13 H new ATOM 0 HE2 LYS A 50 4.238 -3.401 18.277 1.00 62.53 H new ATOM 0 HE3 LYS A 50 4.752 -3.166 19.936 1.00 62.53 H new ATOM 0 HZ1 LYS A 50 4.145 -5.460 19.524 1.00 32.43 H new ATOM 0 HZ2 LYS A 50 3.080 -4.773 20.654 1.00 32.43 H new ATOM 0 HZ3 LYS A 50 2.582 -5.001 19.047 1.00 32.43 H new ATOM 670 N GLY A 51 -0.189 0.967 17.953 1.00 33.01 N ATOM 671 CA GLY A 51 0.236 2.078 17.122 1.00 1.03 C ATOM 672 C GLY A 51 0.717 3.263 17.937 1.00 53.45 C ATOM 673 O GLY A 51 1.496 4.083 17.454 1.00 1.42 O ATOM 0 H GLY A 51 -1.188 0.765 17.921 1.00 33.01 H new ATOM 0 HA2 GLY A 51 1.037 1.747 16.461 1.00 1.03 H new ATOM 0 HA3 GLY A 51 -0.593 2.390 16.487 1.00 1.03 H new ATOM 676 N VAL A 52 0.250 3.352 19.179 1.00 44.41 N ATOM 677 CA VAL A 52 0.637 4.445 20.063 1.00 52.01 C ATOM 678 C VAL A 52 2.110 4.346 20.446 1.00 60.50 C ATOM 679 O VAL A 52 2.809 5.356 20.530 1.00 43.20 O ATOM 680 CB VAL A 52 -0.216 4.457 21.346 1.00 11.33 C ATOM 681 CG1 VAL A 52 -1.691 4.602 21.004 1.00 55.04 C ATOM 682 CG2 VAL A 52 0.030 3.198 22.161 1.00 60.42 C ATOM 0 H VAL A 52 -0.396 2.681 19.595 1.00 44.41 H new ATOM 0 HA VAL A 52 0.468 5.372 19.514 1.00 52.01 H new ATOM 0 HB VAL A 52 0.079 5.315 21.950 1.00 11.33 H new ATOM 0 HG11 VAL A 52 -2.278 4.609 21.922 1.00 55.04 H new ATOM 0 HG12 VAL A 52 -1.849 5.536 20.465 1.00 55.04 H new ATOM 0 HG13 VAL A 52 -2.004 3.765 20.379 1.00 55.04 H new ATOM 0 HG21 VAL A 52 -0.581 3.224 23.063 1.00 60.42 H new ATOM 0 HG22 VAL A 52 -0.236 2.323 21.568 1.00 60.42 H new ATOM 0 HG23 VAL A 52 1.083 3.143 22.437 1.00 60.42 H new ATOM 692 N PHE A 53 2.575 3.123 20.679 1.00 21.32 N ATOM 693 CA PHE A 53 3.964 2.892 21.054 1.00 4.00 C ATOM 694 C PHE A 53 4.857 2.820 19.819 1.00 3.14 C ATOM 695 O PHE A 53 6.080 2.756 19.928 1.00 44.45 O ATOM 696 CB PHE A 53 4.088 1.598 21.863 1.00 2.51 C ATOM 697 CG PHE A 53 3.798 1.776 23.325 1.00 71.14 C ATOM 698 CD1 PHE A 53 4.810 2.106 24.212 1.00 0.42 C ATOM 699 CD2 PHE A 53 2.512 1.611 23.816 1.00 14.55 C ATOM 700 CE1 PHE A 53 4.547 2.270 25.558 1.00 52.10 C ATOM 701 CE2 PHE A 53 2.242 1.774 25.161 1.00 15.30 C ATOM 702 CZ PHE A 53 3.261 2.102 26.033 1.00 31.34 C ATOM 0 H PHE A 53 2.009 2.277 20.615 1.00 21.32 H new ATOM 0 HA PHE A 53 4.292 3.730 21.669 1.00 4.00 H new ATOM 0 HB2 PHE A 53 3.404 0.855 21.453 1.00 2.51 H new ATOM 0 HB3 PHE A 53 5.096 1.201 21.746 1.00 2.51 H new ATOM 0 HD1 PHE A 53 5.818 2.237 23.846 1.00 0.42 H new ATOM 0 HD2 PHE A 53 1.712 1.352 23.139 1.00 14.55 H new ATOM 0 HE1 PHE A 53 5.345 2.529 26.238 1.00 52.10 H new ATOM 0 HE2 PHE A 53 1.235 1.645 25.530 1.00 15.30 H new ATOM 0 HZ PHE A 53 3.053 2.227 27.085 1.00 31.34 H new ATOM 711 N GLN A 54 4.234 2.832 18.645 1.00 44.02 N ATOM 712 CA GLN A 54 4.971 2.767 17.389 1.00 30.11 C ATOM 713 C GLN A 54 5.927 3.948 17.257 1.00 44.12 C ATOM 714 O GLN A 54 6.921 3.878 16.536 1.00 45.44 O ATOM 715 CB GLN A 54 4.003 2.745 16.204 1.00 24.42 C ATOM 716 CG GLN A 54 4.303 1.652 15.193 1.00 75.03 C ATOM 717 CD GLN A 54 4.395 0.278 15.828 1.00 31.32 C ATOM 718 OE1 GLN A 54 3.553 -0.098 16.644 1.00 13.14 O ATOM 719 NE2 GLN A 54 5.420 -0.479 15.458 1.00 3.43 N ATOM 0 H GLN A 54 3.221 2.886 18.538 1.00 44.02 H new ATOM 0 HA GLN A 54 5.556 1.847 17.388 1.00 30.11 H new ATOM 0 HB2 GLN A 54 2.988 2.614 16.578 1.00 24.42 H new ATOM 0 HB3 GLN A 54 4.035 3.712 15.702 1.00 24.42 H new ATOM 0 HG2 GLN A 54 3.524 1.644 14.430 1.00 75.03 H new ATOM 0 HG3 GLN A 54 5.242 1.878 14.687 1.00 75.03 H new ATOM 0 HE21 GLN A 54 6.095 -0.127 14.778 1.00 3.43 H new ATOM 0 HE22 GLN A 54 5.533 -1.413 15.853 1.00 3.43 H new ATOM 726 N GLY A 55 5.619 5.035 17.959 1.00 30.52 N ATOM 727 CA GLY A 55 6.460 6.216 17.906 1.00 64.31 C ATOM 728 C GLY A 55 7.529 6.215 18.981 1.00 72.42 C ATOM 729 O GLY A 55 8.698 6.484 18.705 1.00 62.04 O ATOM 0 H GLY A 55 4.802 5.118 18.563 1.00 30.52 H new ATOM 0 HA2 GLY A 55 6.934 6.277 16.926 1.00 64.31 H new ATOM 0 HA3 GLY A 55 5.840 7.105 18.016 1.00 64.31 H new ATOM 732 N VAL A 56 7.129 5.913 20.213 1.00 34.23 N ATOM 733 CA VAL A 56 8.060 5.878 21.333 1.00 25.24 C ATOM 734 C VAL A 56 9.044 4.722 21.194 1.00 25.41 C ATOM 735 O VAL A 56 10.223 4.854 21.524 1.00 3.01 O ATOM 736 CB VAL A 56 7.318 5.748 22.676 1.00 25.41 C ATOM 737 CG1 VAL A 56 6.433 6.962 22.918 1.00 15.31 C ATOM 738 CG2 VAL A 56 6.499 4.466 22.710 1.00 24.20 C ATOM 0 H VAL A 56 6.165 5.689 20.460 1.00 34.23 H new ATOM 0 HA VAL A 56 8.607 6.821 21.319 1.00 25.24 H new ATOM 0 HB VAL A 56 8.057 5.702 23.476 1.00 25.41 H new ATOM 0 HG11 VAL A 56 5.917 6.852 23.872 1.00 15.31 H new ATOM 0 HG12 VAL A 56 7.048 7.862 22.940 1.00 15.31 H new ATOM 0 HG13 VAL A 56 5.699 7.043 22.116 1.00 15.31 H new ATOM 0 HG21 VAL A 56 5.981 4.390 23.666 1.00 24.20 H new ATOM 0 HG22 VAL A 56 5.768 4.480 21.902 1.00 24.20 H new ATOM 0 HG23 VAL A 56 7.160 3.608 22.587 1.00 24.20 H new ATOM 748 N HIS A 57 8.552 3.589 20.705 1.00 3.24 N ATOM 749 CA HIS A 57 9.389 2.409 20.520 1.00 71.41 C ATOM 750 C HIS A 57 10.657 2.757 19.747 1.00 73.14 C ATOM 751 O HIS A 57 11.767 2.474 20.198 1.00 14.41 O ATOM 752 CB HIS A 57 8.611 1.317 19.785 1.00 51.14 C ATOM 753 CG HIS A 57 9.421 0.088 19.508 1.00 45.41 C ATOM 754 ND1 HIS A 57 10.249 -0.495 20.445 1.00 2.31 N ATOM 755 CD2 HIS A 57 9.528 -0.670 18.392 1.00 53.02 C ATOM 756 CE1 HIS A 57 10.830 -1.558 19.917 1.00 1.05 C ATOM 757 NE2 HIS A 57 10.409 -1.686 18.672 1.00 53.21 N ATOM 0 H HIS A 57 7.578 3.463 20.430 1.00 3.24 H new ATOM 0 HA HIS A 57 9.676 2.040 21.504 1.00 71.41 H new ATOM 0 HB2 HIS A 57 7.739 1.041 20.378 1.00 51.14 H new ATOM 0 HB3 HIS A 57 8.241 1.718 18.842 1.00 51.14 H new ATOM 0 HD2 HIS A 57 9.016 -0.506 17.455 1.00 53.02 H new ATOM 0 HE1 HIS A 57 11.530 -2.211 20.418 1.00 1.05 H new ATOM 0 HE2 HIS A 57 10.692 -2.420 18.023 1.00 53.21 H new ATOM 764 N ASP A 58 10.484 3.370 18.582 1.00 35.04 N ATOM 765 CA ASP A 58 11.614 3.757 17.746 1.00 12.23 C ATOM 766 C ASP A 58 12.382 4.915 18.373 1.00 25.22 C ATOM 767 O ASP A 58 13.507 5.216 17.973 1.00 45.14 O ATOM 768 CB ASP A 58 11.132 4.146 16.347 1.00 33.42 C ATOM 769 CG ASP A 58 11.942 3.484 15.251 1.00 11.51 C ATOM 770 OD1 ASP A 58 12.144 2.253 15.323 1.00 23.22 O ATOM 771 OD2 ASP A 58 12.375 4.196 14.320 1.00 41.34 O ATOM 0 H ASP A 58 9.571 3.610 18.195 1.00 35.04 H new ATOM 0 HA ASP A 58 12.284 2.901 17.666 1.00 12.23 H new ATOM 0 HB2 ASP A 58 10.083 3.869 16.237 1.00 33.42 H new ATOM 0 HB3 ASP A 58 11.190 5.229 16.234 1.00 33.42 H new ATOM 775 N SER A 59 11.767 5.563 19.357 1.00 5.20 N ATOM 776 CA SER A 59 12.391 6.693 20.037 1.00 70.11 C ATOM 777 C SER A 59 13.271 6.215 21.188 1.00 63.12 C ATOM 778 O SER A 59 14.228 6.886 21.572 1.00 42.42 O ATOM 779 CB SER A 59 11.322 7.654 20.562 1.00 51.41 C ATOM 780 OG SER A 59 11.889 8.625 21.423 1.00 42.01 O ATOM 0 H SER A 59 10.837 5.325 19.702 1.00 5.20 H new ATOM 0 HA SER A 59 13.018 7.218 19.316 1.00 70.11 H new ATOM 0 HB2 SER A 59 10.830 8.149 19.724 1.00 51.41 H new ATOM 0 HB3 SER A 59 10.555 7.093 21.096 1.00 51.41 H new ATOM 0 HG SER A 59 11.186 9.228 21.744 1.00 42.01 H new ATOM 785 N ALA A 60 12.939 5.049 21.734 1.00 22.24 N ATOM 786 CA ALA A 60 13.699 4.480 22.840 1.00 20.23 C ATOM 787 C ALA A 60 14.988 3.833 22.345 1.00 31.14 C ATOM 788 O ALA A 60 15.795 3.350 23.138 1.00 4.10 O ATOM 789 CB ALA A 60 12.853 3.466 23.595 1.00 73.01 C ATOM 0 H ALA A 60 12.149 4.481 21.428 1.00 22.24 H new ATOM 0 HA ALA A 60 13.967 5.290 23.519 1.00 20.23 H new ATOM 0 HB1 ALA A 60 13.433 3.049 24.418 1.00 73.01 H new ATOM 0 HB2 ALA A 60 11.963 3.957 23.990 1.00 73.01 H new ATOM 0 HB3 ALA A 60 12.555 2.665 22.919 1.00 73.01 H new ATOM 795 N GLU A 61 15.173 3.825 21.028 1.00 32.44 N ATOM 796 CA GLU A 61 16.363 3.235 20.428 1.00 42.22 C ATOM 797 C GLU A 61 17.629 3.762 21.098 1.00 1.03 C ATOM 798 O GLU A 61 18.629 3.054 21.209 1.00 54.23 O ATOM 799 CB GLU A 61 16.406 3.532 18.928 1.00 1.03 C ATOM 800 CG GLU A 61 17.594 2.907 18.217 1.00 12.40 C ATOM 801 CD GLU A 61 17.884 3.559 16.879 1.00 64.50 C ATOM 802 OE1 GLU A 61 16.989 3.551 16.009 1.00 21.12 O ATOM 803 OE2 GLU A 61 19.007 4.078 16.704 1.00 33.04 O ATOM 0 H GLU A 61 14.514 4.220 20.357 1.00 32.44 H new ATOM 0 HA GLU A 61 16.316 2.156 20.576 1.00 42.22 H new ATOM 0 HB2 GLU A 61 15.487 3.170 18.468 1.00 1.03 H new ATOM 0 HB3 GLU A 61 16.432 4.612 18.781 1.00 1.03 H new ATOM 0 HG2 GLU A 61 18.475 2.985 18.853 1.00 12.40 H new ATOM 0 HG3 GLU A 61 17.404 1.845 18.065 1.00 12.40 H new ATOM 808 N LYS A 62 17.578 5.013 21.544 1.00 62.03 N ATOM 809 CA LYS A 62 18.718 5.638 22.204 1.00 12.04 C ATOM 810 C LYS A 62 18.920 5.061 23.601 1.00 62.43 C ATOM 811 O LYS A 62 20.030 4.679 23.972 1.00 12.00 O ATOM 812 CB LYS A 62 18.516 7.153 22.290 1.00 43.25 C ATOM 813 CG LYS A 62 19.486 7.945 21.429 1.00 64.04 C ATOM 814 CD LYS A 62 20.724 8.349 22.212 1.00 21.42 C ATOM 815 CE LYS A 62 21.631 7.157 22.475 1.00 64.54 C ATOM 816 NZ LYS A 62 22.982 7.580 22.940 1.00 40.41 N ATOM 0 H LYS A 62 16.758 5.614 21.460 1.00 62.03 H new ATOM 0 HA LYS A 62 19.609 5.430 21.612 1.00 12.04 H new ATOM 0 HB2 LYS A 62 17.496 7.393 21.989 1.00 43.25 H new ATOM 0 HB3 LYS A 62 18.624 7.467 23.328 1.00 43.25 H new ATOM 0 HG2 LYS A 62 19.779 7.348 20.566 1.00 64.04 H new ATOM 0 HG3 LYS A 62 18.990 8.837 21.046 1.00 64.04 H new ATOM 0 HD2 LYS A 62 21.273 9.110 21.658 1.00 21.42 H new ATOM 0 HD3 LYS A 62 20.426 8.797 23.160 1.00 21.42 H new ATOM 0 HE2 LYS A 62 21.174 6.512 23.225 1.00 64.54 H new ATOM 0 HE3 LYS A 62 21.729 6.567 21.564 1.00 64.54 H new ATOM 0 HZ1 LYS A 62 23.570 6.739 23.108 1.00 40.41 H new ATOM 0 HZ2 LYS A 62 23.429 8.175 22.213 1.00 40.41 H new ATOM 0 HZ3 LYS A 62 22.891 8.121 23.823 1.00 40.41 H new ATOM 826 N GLY A 63 17.840 5.000 24.374 1.00 23.43 N ATOM 827 CA GLY A 63 17.920 4.468 25.722 1.00 43.32 C ATOM 828 C GLY A 63 18.024 2.956 25.743 1.00 32.03 C ATOM 829 O GLY A 63 18.180 2.351 26.804 1.00 54.50 O ATOM 0 H GLY A 63 16.910 5.310 24.091 1.00 23.43 H new ATOM 0 HA2 GLY A 63 18.786 4.896 26.227 1.00 43.32 H new ATOM 0 HA3 GLY A 63 17.038 4.776 26.284 1.00 43.32 H new ATOM 832 N LYS A 64 17.934 2.342 24.567 1.00 43.12 N ATOM 833 CA LYS A 64 18.018 0.891 24.453 1.00 42.23 C ATOM 834 C LYS A 64 19.338 0.471 23.812 1.00 14.23 C ATOM 835 O LYS A 64 19.539 -0.701 23.496 1.00 55.54 O ATOM 836 CB LYS A 64 16.846 0.355 23.630 1.00 11.44 C ATOM 837 CG LYS A 64 16.226 -0.907 24.203 1.00 31.42 C ATOM 838 CD LYS A 64 15.402 -0.608 25.445 1.00 30.51 C ATOM 839 CE LYS A 64 14.203 -1.537 25.555 1.00 70.55 C ATOM 840 NZ LYS A 64 14.480 -2.697 26.447 1.00 65.44 N ATOM 0 H LYS A 64 17.803 2.828 23.680 1.00 43.12 H new ATOM 0 HA LYS A 64 17.972 0.469 25.457 1.00 42.23 H new ATOM 0 HB2 LYS A 64 16.079 1.127 23.560 1.00 11.44 H new ATOM 0 HB3 LYS A 64 17.188 0.153 22.615 1.00 11.44 H new ATOM 0 HG2 LYS A 64 15.594 -1.377 23.450 1.00 31.42 H new ATOM 0 HG3 LYS A 64 17.012 -1.620 24.450 1.00 31.42 H new ATOM 0 HD2 LYS A 64 16.027 -0.713 26.332 1.00 30.51 H new ATOM 0 HD3 LYS A 64 15.061 0.427 25.416 1.00 30.51 H new ATOM 0 HE2 LYS A 64 13.347 -0.981 25.937 1.00 70.55 H new ATOM 0 HE3 LYS A 64 13.931 -1.898 24.563 1.00 70.55 H new ATOM 0 HZ1 LYS A 64 13.639 -3.306 26.496 1.00 65.44 H new ATOM 0 HZ2 LYS A 64 15.281 -3.242 26.069 1.00 65.44 H new ATOM 0 HZ3 LYS A 64 14.714 -2.354 27.400 1.00 65.44 H new ATOM 850 N ASP A 65 20.232 1.435 23.623 1.00 21.23 N ATOM 851 CA ASP A 65 21.533 1.165 23.022 1.00 52.20 C ATOM 852 C ASP A 65 22.650 1.325 24.049 1.00 34.23 C ATOM 853 O ASP A 65 23.829 1.352 23.699 1.00 14.10 O ATOM 854 CB ASP A 65 21.775 2.101 21.836 1.00 71.42 C ATOM 855 CG ASP A 65 21.432 1.453 20.509 1.00 24.22 C ATOM 856 OD1 ASP A 65 20.391 0.768 20.435 1.00 43.24 O ATOM 857 OD2 ASP A 65 22.205 1.633 19.544 1.00 32.10 O ATOM 0 H ASP A 65 20.080 2.411 23.877 1.00 21.23 H new ATOM 0 HA ASP A 65 21.535 0.134 22.668 1.00 52.20 H new ATOM 0 HB2 ASP A 65 21.178 3.004 21.961 1.00 71.42 H new ATOM 0 HB3 ASP A 65 22.820 2.409 21.827 1.00 71.42 H new ATOM 861 N ASN A 66 22.269 1.431 25.318 1.00 42.21 N ATOM 862 CA ASN A 66 23.239 1.590 26.395 1.00 61.42 C ATOM 863 C ASN A 66 24.467 0.719 26.154 1.00 44.45 C ATOM 864 O ASN A 66 25.594 1.125 26.440 1.00 52.45 O ATOM 865 CB ASN A 66 22.602 1.232 27.739 1.00 75.44 C ATOM 866 CG ASN A 66 22.322 -0.253 27.869 1.00 34.53 C ATOM 867 OD1 ASN A 66 22.656 -0.874 28.878 1.00 70.32 O ATOM 868 ND2 ASN A 66 21.704 -0.830 26.845 1.00 12.43 N ATOM 0 H ASN A 66 21.297 1.410 25.625 1.00 42.21 H new ATOM 0 HA ASN A 66 23.554 2.633 26.416 1.00 61.42 H new ATOM 0 HB2 ASN A 66 23.263 1.546 28.547 1.00 75.44 H new ATOM 0 HB3 ASN A 66 21.671 1.786 27.856 1.00 75.44 H new ATOM 0 HD21 ASN A 66 21.488 -1.826 26.875 1.00 12.43 H new ATOM 0 HD22 ASN A 66 21.445 -0.277 26.028 1.00 12.43 H new ATOM 874 N ALA A 67 24.242 -0.480 25.627 1.00 4.00 N ATOM 875 CA ALA A 67 25.331 -1.407 25.345 1.00 14.24 C ATOM 876 C ALA A 67 26.422 -0.737 24.517 1.00 1.24 C ATOM 877 O ALA A 67 27.581 -0.682 24.928 1.00 61.52 O ATOM 878 CB ALA A 67 24.802 -2.639 24.625 1.00 61.11 C ATOM 0 H ALA A 67 23.315 -0.832 25.387 1.00 4.00 H new ATOM 0 HA ALA A 67 25.769 -1.714 26.295 1.00 14.24 H new ATOM 0 HB1 ALA A 67 25.626 -3.323 24.421 1.00 61.11 H new ATOM 0 HB2 ALA A 67 24.063 -3.138 25.252 1.00 61.11 H new ATOM 0 HB3 ALA A 67 24.337 -2.340 23.686 1.00 61.11 H new ATOM 947 N LEU A 74 25.657 8.474 30.724 1.00 71.34 N ATOM 948 CA LEU A 74 24.843 7.586 31.548 1.00 42.53 C ATOM 949 C LEU A 74 23.719 8.357 32.233 1.00 50.44 C ATOM 950 O LEU A 74 22.779 7.764 32.760 1.00 74.43 O ATOM 951 CB LEU A 74 25.713 6.891 32.596 1.00 63.00 C ATOM 952 CG LEU A 74 26.867 6.046 32.057 1.00 41.13 C ATOM 953 CD1 LEU A 74 26.488 5.411 30.729 1.00 52.45 C ATOM 954 CD2 LEU A 74 28.124 6.891 31.907 1.00 73.53 C ATOM 0 HA LEU A 74 24.398 6.833 30.897 1.00 42.53 H new ATOM 0 HB2 LEU A 74 26.125 7.652 33.259 1.00 63.00 H new ATOM 0 HB3 LEU A 74 25.073 6.251 33.204 1.00 63.00 H new ATOM 0 HG LEU A 74 27.073 5.249 32.772 1.00 41.13 H new ATOM 0 HD11 LEU A 74 27.322 4.813 30.360 1.00 52.45 H new ATOM 0 HD12 LEU A 74 25.616 4.772 30.867 1.00 52.45 H new ATOM 0 HD13 LEU A 74 26.254 6.192 30.006 1.00 52.45 H new ATOM 0 HD21 LEU A 74 28.935 6.272 31.522 1.00 73.53 H new ATOM 0 HD22 LEU A 74 27.932 7.709 31.213 1.00 73.53 H new ATOM 0 HD23 LEU A 74 28.407 7.297 32.878 1.00 73.53 H new ATOM 965 N ALA A 75 23.822 9.681 32.219 1.00 3.51 N ATOM 966 CA ALA A 75 22.813 10.533 32.834 1.00 70.51 C ATOM 967 C ALA A 75 21.604 10.703 31.919 1.00 53.31 C ATOM 968 O ALA A 75 20.493 10.959 32.383 1.00 44.23 O ATOM 969 CB ALA A 75 23.407 11.890 33.183 1.00 12.43 C ATOM 0 H ALA A 75 24.595 10.188 31.788 1.00 3.51 H new ATOM 0 HA ALA A 75 22.477 10.049 33.751 1.00 70.51 H new ATOM 0 HB1 ALA A 75 22.641 12.515 33.642 1.00 12.43 H new ATOM 0 HB2 ALA A 75 24.233 11.757 33.882 1.00 12.43 H new ATOM 0 HB3 ALA A 75 23.773 12.371 32.276 1.00 12.43 H new ATOM 975 N ASP A 76 21.830 10.558 30.619 1.00 15.41 N ATOM 976 CA ASP A 76 20.759 10.695 29.637 1.00 54.45 C ATOM 977 C ASP A 76 19.698 9.617 29.838 1.00 24.45 C ATOM 978 O ASP A 76 18.508 9.861 29.635 1.00 70.44 O ATOM 979 CB ASP A 76 21.324 10.612 28.219 1.00 5.45 C ATOM 980 CG ASP A 76 20.250 10.753 27.158 1.00 10.41 C ATOM 981 OD1 ASP A 76 19.563 9.750 26.872 1.00 71.14 O ATOM 982 OD2 ASP A 76 20.096 11.866 26.614 1.00 41.24 O ATOM 0 H ASP A 76 22.744 10.346 30.220 1.00 15.41 H new ATOM 0 HA ASP A 76 20.293 11.670 29.777 1.00 54.45 H new ATOM 0 HB2 ASP A 76 22.071 11.394 28.082 1.00 5.45 H new ATOM 0 HB3 ASP A 76 21.835 9.658 28.090 1.00 5.45 H new ATOM 986 N GLN A 77 20.137 8.428 30.236 1.00 72.33 N ATOM 987 CA GLN A 77 19.224 7.313 30.462 1.00 21.21 C ATOM 988 C GLN A 77 18.712 7.312 31.899 1.00 31.40 C ATOM 989 O GLN A 77 17.542 7.025 32.151 1.00 72.35 O ATOM 990 CB GLN A 77 19.919 5.987 30.155 1.00 54.32 C ATOM 991 CG GLN A 77 20.887 6.064 28.985 1.00 53.41 C ATOM 992 CD GLN A 77 20.307 6.803 27.796 1.00 23.01 C ATOM 993 OE1 GLN A 77 19.102 6.754 27.546 1.00 71.24 O ATOM 994 NE2 GLN A 77 21.163 7.497 27.055 1.00 44.52 N ATOM 0 H GLN A 77 21.119 8.211 30.409 1.00 72.33 H new ATOM 0 HA GLN A 77 18.372 7.432 29.792 1.00 21.21 H new ATOM 0 HB2 GLN A 77 20.459 5.656 31.042 1.00 54.32 H new ATOM 0 HB3 GLN A 77 19.163 5.231 29.941 1.00 54.32 H new ATOM 0 HG2 GLN A 77 21.801 6.562 29.307 1.00 53.41 H new ATOM 0 HG3 GLN A 77 21.164 5.055 28.681 1.00 53.41 H new ATOM 0 HE21 GLN A 77 22.154 7.510 27.298 1.00 44.52 H new ATOM 0 HE22 GLN A 77 20.830 8.017 26.243 1.00 44.52 H new ATOM 1001 N ALA A 78 19.596 7.635 32.837 1.00 5.20 N ATOM 1002 CA ALA A 78 19.233 7.672 34.248 1.00 62.52 C ATOM 1003 C ALA A 78 17.906 8.394 34.455 1.00 62.40 C ATOM 1004 O ALA A 78 17.136 8.052 35.352 1.00 63.45 O ATOM 1005 CB ALA A 78 20.333 8.343 35.059 1.00 1.10 C ATOM 0 H ALA A 78 20.569 7.875 32.645 1.00 5.20 H new ATOM 0 HA ALA A 78 19.116 6.645 34.594 1.00 62.52 H new ATOM 0 HB1 ALA A 78 20.048 8.364 36.111 1.00 1.10 H new ATOM 0 HB2 ALA A 78 21.262 7.784 34.945 1.00 1.10 H new ATOM 0 HB3 ALA A 78 20.478 9.363 34.702 1.00 1.10 H new ATOM 1011 N ARG A 79 17.645 9.394 33.619 1.00 53.02 N ATOM 1012 CA ARG A 79 16.411 10.165 33.712 1.00 63.13 C ATOM 1013 C ARG A 79 15.243 9.397 33.102 1.00 13.42 C ATOM 1014 O ARG A 79 14.163 9.320 33.688 1.00 41.12 O ATOM 1015 CB ARG A 79 16.573 11.513 33.007 1.00 31.03 C ATOM 1016 CG ARG A 79 16.524 11.417 31.491 1.00 43.41 C ATOM 1017 CD ARG A 79 16.965 12.717 30.836 1.00 21.42 C ATOM 1018 NE ARG A 79 18.415 12.886 30.875 1.00 33.22 N ATOM 1019 CZ ARG A 79 19.031 14.027 30.584 1.00 34.11 C ATOM 1020 NH1 ARG A 79 18.325 15.094 30.234 1.00 55.32 N ATOM 1021 NH2 ARG A 79 20.353 14.101 30.642 1.00 44.21 N ATOM 0 H ARG A 79 18.271 9.689 32.870 1.00 53.02 H new ATOM 0 HA ARG A 79 16.198 10.338 34.767 1.00 63.13 H new ATOM 0 HB2 ARG A 79 15.786 12.187 33.346 1.00 31.03 H new ATOM 0 HB3 ARG A 79 17.523 11.957 33.304 1.00 31.03 H new ATOM 0 HG2 ARG A 79 17.167 10.603 31.156 1.00 43.41 H new ATOM 0 HG3 ARG A 79 15.510 11.174 31.173 1.00 43.41 H new ATOM 0 HD2 ARG A 79 16.626 12.734 29.800 1.00 21.42 H new ATOM 0 HD3 ARG A 79 16.489 13.557 31.341 1.00 21.42 H new ATOM 0 HE ARG A 79 18.987 12.084 31.140 1.00 33.22 H new ATOM 0 HH11 ARG A 79 17.307 15.040 30.188 1.00 55.32 H new ATOM 0 HH12 ARG A 79 18.800 15.969 30.011 1.00 55.32 H new ATOM 0 HH21 ARG A 79 20.898 13.282 30.910 1.00 44.21 H new ATOM 0 HH22 ARG A 79 20.825 14.977 30.418 1.00 44.21 H new ATOM 1032 N ASP A 80 15.466 8.831 31.921 1.00 11.30 N ATOM 1033 CA ASP A 80 14.432 8.068 31.230 1.00 62.30 C ATOM 1034 C ASP A 80 14.450 6.607 31.671 1.00 34.13 C ATOM 1035 O ASP A 80 13.441 6.077 32.137 1.00 33.10 O ATOM 1036 CB ASP A 80 14.626 8.160 29.716 1.00 55.21 C ATOM 1037 CG ASP A 80 14.440 9.571 29.193 1.00 71.14 C ATOM 1038 OD1 ASP A 80 13.629 10.317 29.778 1.00 34.51 O ATOM 1039 OD2 ASP A 80 15.105 9.926 28.198 1.00 25.33 O ATOM 0 H ASP A 80 16.354 8.886 31.422 1.00 11.30 H new ATOM 0 HA ASP A 80 13.464 8.496 31.490 1.00 62.30 H new ATOM 0 HB2 ASP A 80 15.625 7.809 29.459 1.00 55.21 H new ATOM 0 HB3 ASP A 80 13.918 7.496 29.221 1.00 55.21 H new ATOM 1043 N TYR A 81 15.602 5.963 31.519 1.00 74.41 N ATOM 1044 CA TYR A 81 15.749 4.562 31.897 1.00 65.32 C ATOM 1045 C TYR A 81 15.027 4.274 33.210 1.00 34.12 C ATOM 1046 O TYR A 81 14.122 3.441 33.263 1.00 14.15 O ATOM 1047 CB TYR A 81 17.229 4.201 32.028 1.00 51.41 C ATOM 1048 CG TYR A 81 17.499 2.715 31.948 1.00 63.44 C ATOM 1049 CD1 TYR A 81 16.895 1.929 30.975 1.00 24.13 C ATOM 1050 CD2 TYR A 81 18.359 2.098 32.849 1.00 74.11 C ATOM 1051 CE1 TYR A 81 17.138 0.572 30.901 1.00 14.14 C ATOM 1052 CE2 TYR A 81 18.609 0.740 32.780 1.00 63.51 C ATOM 1053 CZ TYR A 81 17.996 -0.018 31.806 1.00 15.32 C ATOM 1054 OH TYR A 81 18.241 -1.370 31.734 1.00 45.52 O ATOM 0 H TYR A 81 16.447 6.388 31.137 1.00 74.41 H new ATOM 0 HA TYR A 81 15.300 3.951 31.114 1.00 65.32 H new ATOM 0 HB2 TYR A 81 17.789 4.706 31.241 1.00 51.41 H new ATOM 0 HB3 TYR A 81 17.604 4.579 32.979 1.00 51.41 H new ATOM 0 HD1 TYR A 81 16.224 2.387 30.264 1.00 24.13 H new ATOM 0 HD2 TYR A 81 18.839 2.689 33.615 1.00 74.11 H new ATOM 0 HE1 TYR A 81 16.659 -0.025 30.139 1.00 14.14 H new ATOM 0 HE2 TYR A 81 19.281 0.275 33.486 1.00 63.51 H new ATOM 0 HH TYR A 81 18.868 -1.627 32.442 1.00 45.52 H new ATOM 1063 N MET A 82 15.432 4.969 34.267 1.00 51.24 N ATOM 1064 CA MET A 82 14.824 4.789 35.579 1.00 20.41 C ATOM 1065 C MET A 82 13.330 5.101 35.533 1.00 51.23 C ATOM 1066 O MET A 82 12.526 4.422 36.169 1.00 23.54 O ATOM 1067 CB MET A 82 15.511 5.684 36.611 1.00 65.32 C ATOM 1068 CG MET A 82 14.861 7.051 36.760 1.00 60.35 C ATOM 1069 SD MET A 82 15.649 8.060 38.030 1.00 42.21 S ATOM 1070 CE MET A 82 14.437 9.364 38.227 1.00 73.43 C ATOM 0 H MET A 82 16.179 5.663 34.240 1.00 51.24 H new ATOM 0 HA MET A 82 14.952 3.747 35.871 1.00 20.41 H new ATOM 0 HB2 MET A 82 15.505 5.181 37.578 1.00 65.32 H new ATOM 0 HB3 MET A 82 16.555 5.816 36.327 1.00 65.32 H new ATOM 0 HG2 MET A 82 14.905 7.576 35.806 1.00 60.35 H new ATOM 0 HG3 MET A 82 13.807 6.923 37.005 1.00 60.35 H new ATOM 0 HE1 MET A 82 14.782 10.070 38.982 1.00 73.43 H new ATOM 0 HE2 MET A 82 14.304 9.884 37.278 1.00 73.43 H new ATOM 0 HE3 MET A 82 13.486 8.933 38.541 1.00 73.43 H new ATOM 1078 N GLY A 83 12.969 6.132 34.776 1.00 50.40 N ATOM 1079 CA GLY A 83 11.574 6.515 34.662 1.00 21.14 C ATOM 1080 C GLY A 83 10.740 5.464 33.956 1.00 60.02 C ATOM 1081 O GLY A 83 9.520 5.423 34.111 1.00 25.03 O ATOM 0 H GLY A 83 13.617 6.709 34.240 1.00 50.40 H new ATOM 0 HA2 GLY A 83 11.166 6.690 35.657 1.00 21.14 H new ATOM 0 HA3 GLY A 83 11.502 7.457 34.118 1.00 21.14 H new ATOM 1084 N ALA A 84 11.399 4.613 33.177 1.00 62.14 N ATOM 1085 CA ALA A 84 10.711 3.557 32.445 1.00 72.00 C ATOM 1086 C ALA A 84 10.740 2.243 33.220 1.00 3.12 C ATOM 1087 O ALA A 84 9.753 1.509 33.254 1.00 22.34 O ATOM 1088 CB ALA A 84 11.334 3.375 31.070 1.00 2.21 C ATOM 0 H ALA A 84 12.409 4.634 33.037 1.00 62.14 H new ATOM 0 HA ALA A 84 9.669 3.853 32.323 1.00 72.00 H new ATOM 0 HB1 ALA A 84 10.810 2.583 30.535 1.00 2.21 H new ATOM 0 HB2 ALA A 84 11.255 4.306 30.509 1.00 2.21 H new ATOM 0 HB3 ALA A 84 12.384 3.105 31.179 1.00 2.21 H new ATOM 1094 N ALA A 85 11.880 1.952 33.839 1.00 1.22 N ATOM 1095 CA ALA A 85 12.038 0.728 34.613 1.00 32.42 C ATOM 1096 C ALA A 85 11.707 0.961 36.083 1.00 24.23 C ATOM 1097 O ALA A 85 10.632 0.591 36.556 1.00 73.20 O ATOM 1098 CB ALA A 85 13.453 0.189 34.468 1.00 31.42 C ATOM 0 H ALA A 85 12.707 2.548 33.819 1.00 1.22 H new ATOM 0 HA ALA A 85 11.338 -0.011 34.223 1.00 32.42 H new ATOM 0 HB1 ALA A 85 13.556 -0.726 35.052 1.00 31.42 H new ATOM 0 HB2 ALA A 85 13.655 -0.026 33.419 1.00 31.42 H new ATOM 0 HB3 ALA A 85 14.164 0.932 34.829 1.00 31.42 H new ATOM 1104 N LYS A 86 12.638 1.579 36.804 1.00 13.41 N ATOM 1105 CA LYS A 86 12.446 1.863 38.220 1.00 31.33 C ATOM 1106 C LYS A 86 11.045 2.406 38.482 1.00 13.14 C ATOM 1107 O LYS A 86 10.463 2.165 39.539 1.00 61.33 O ATOM 1108 CB LYS A 86 13.492 2.869 38.706 1.00 41.52 C ATOM 1109 CG LYS A 86 13.499 3.059 40.213 1.00 2.41 C ATOM 1110 CD LYS A 86 12.853 4.376 40.611 1.00 62.14 C ATOM 1111 CE LYS A 86 13.307 4.823 41.993 1.00 34.43 C ATOM 1112 NZ LYS A 86 12.631 4.052 43.074 1.00 1.35 N ATOM 0 H LYS A 86 13.533 1.892 36.429 1.00 13.41 H new ATOM 0 HA LYS A 86 12.564 0.930 38.770 1.00 31.33 H new ATOM 0 HB2 LYS A 86 14.480 2.537 38.385 1.00 41.52 H new ATOM 0 HB3 LYS A 86 13.308 3.831 38.228 1.00 41.52 H new ATOM 0 HG2 LYS A 86 12.968 2.234 40.687 1.00 2.41 H new ATOM 0 HG3 LYS A 86 14.525 3.030 40.580 1.00 2.41 H new ATOM 0 HD2 LYS A 86 13.105 5.143 39.878 1.00 62.14 H new ATOM 0 HD3 LYS A 86 11.768 4.269 40.600 1.00 62.14 H new ATOM 0 HE2 LYS A 86 14.387 4.699 42.079 1.00 34.43 H new ATOM 0 HE3 LYS A 86 13.097 5.885 42.119 1.00 34.43 H new ATOM 0 HZ1 LYS A 86 12.967 4.386 44.000 1.00 1.35 H new ATOM 0 HZ2 LYS A 86 11.602 4.190 43.008 1.00 1.35 H new ATOM 0 HZ3 LYS A 86 12.852 3.041 42.969 1.00 1.35 H new ATOM 1122 N SER A 87 10.508 3.138 37.511 1.00 12.40 N ATOM 1123 CA SER A 87 9.175 3.716 37.637 1.00 25.42 C ATOM 1124 C SER A 87 8.101 2.683 37.314 1.00 52.01 C ATOM 1125 O SER A 87 7.382 2.220 38.199 1.00 34.34 O ATOM 1126 CB SER A 87 9.031 4.925 36.711 1.00 1.13 C ATOM 1127 OG SER A 87 8.397 6.004 37.375 1.00 21.53 O ATOM 0 H SER A 87 10.976 3.345 36.628 1.00 12.40 H new ATOM 0 HA SER A 87 9.043 4.040 38.669 1.00 25.42 H new ATOM 0 HB2 SER A 87 10.015 5.237 36.360 1.00 1.13 H new ATOM 0 HB3 SER A 87 8.453 4.646 35.830 1.00 1.13 H new ATOM 0 HG SER A 87 7.726 5.656 37.998 1.00 21.53 H new ATOM 1132 N LYS A 88 7.999 2.323 36.039 1.00 0.53 N ATOM 1133 CA LYS A 88 7.014 1.343 35.596 1.00 43.32 C ATOM 1134 C LYS A 88 7.247 -0.004 36.272 1.00 12.20 C ATOM 1135 O LYS A 88 6.379 -0.511 36.984 1.00 33.34 O ATOM 1136 CB LYS A 88 7.076 1.181 34.075 1.00 74.52 C ATOM 1137 CG LYS A 88 5.711 1.048 33.423 1.00 72.01 C ATOM 1138 CD LYS A 88 5.434 -0.384 32.994 1.00 64.12 C ATOM 1139 CE LYS A 88 6.040 -0.684 31.631 1.00 30.11 C ATOM 1140 NZ LYS A 88 5.274 -0.037 30.530 1.00 2.44 N ATOM 0 H LYS A 88 8.587 2.696 35.294 1.00 0.53 H new ATOM 0 HA LYS A 88 6.025 1.704 35.877 1.00 43.32 H new ATOM 0 HB2 LYS A 88 7.592 2.040 33.647 1.00 74.52 H new ATOM 0 HB3 LYS A 88 7.671 0.300 33.836 1.00 74.52 H new ATOM 0 HG2 LYS A 88 4.940 1.375 34.121 1.00 72.01 H new ATOM 0 HG3 LYS A 88 5.656 1.706 32.556 1.00 72.01 H new ATOM 0 HD2 LYS A 88 5.842 -1.072 33.734 1.00 64.12 H new ATOM 0 HD3 LYS A 88 4.358 -0.553 32.960 1.00 64.12 H new ATOM 0 HE2 LYS A 88 7.073 -0.336 31.608 1.00 30.11 H new ATOM 0 HE3 LYS A 88 6.063 -1.762 31.473 1.00 30.11 H new ATOM 0 HZ1 LYS A 88 5.575 -0.435 29.617 1.00 2.44 H new ATOM 0 HZ2 LYS A 88 4.258 -0.211 30.665 1.00 2.44 H new ATOM 0 HZ3 LYS A 88 5.454 0.987 30.537 1.00 2.44 H new ATOM 1150 N LEU A 89 8.422 -0.580 36.045 1.00 23.23 N ATOM 1151 CA LEU A 89 8.769 -1.869 36.634 1.00 15.02 C ATOM 1152 C LEU A 89 8.360 -1.924 38.102 1.00 61.12 C ATOM 1153 O LEU A 89 7.664 -2.844 38.529 1.00 14.24 O ATOM 1154 CB LEU A 89 10.271 -2.125 36.500 1.00 21.10 C ATOM 1155 CG LEU A 89 10.741 -3.544 36.824 1.00 4.30 C ATOM 1156 CD1 LEU A 89 11.941 -3.917 35.968 1.00 43.30 C ATOM 1157 CD2 LEU A 89 11.079 -3.670 38.302 1.00 63.22 C ATOM 0 H LEU A 89 9.151 -0.175 35.457 1.00 23.23 H new ATOM 0 HA LEU A 89 8.226 -2.646 36.096 1.00 15.02 H new ATOM 0 HB2 LEU A 89 10.570 -1.889 35.479 1.00 21.10 H new ATOM 0 HB3 LEU A 89 10.798 -1.431 37.155 1.00 21.10 H new ATOM 0 HG LEU A 89 9.929 -4.235 36.597 1.00 4.30 H new ATOM 0 HD11 LEU A 89 12.262 -4.930 36.212 1.00 43.30 H new ATOM 0 HD12 LEU A 89 11.666 -3.868 34.914 1.00 43.30 H new ATOM 0 HD13 LEU A 89 12.757 -3.221 36.163 1.00 43.30 H new ATOM 0 HD21 LEU A 89 11.411 -4.686 38.514 1.00 63.22 H new ATOM 0 HD22 LEU A 89 11.874 -2.968 38.555 1.00 63.22 H new ATOM 0 HD23 LEU A 89 10.194 -3.446 38.898 1.00 63.22 H new ATOM 1168 N ASN A 90 8.797 -0.932 38.871 1.00 41.43 N ATOM 1169 CA ASN A 90 8.475 -0.866 40.292 1.00 71.14 C ATOM 1170 C ASN A 90 6.999 -0.542 40.501 1.00 44.13 C ATOM 1171 O ASN A 90 6.241 -1.360 41.022 1.00 24.44 O ATOM 1172 CB ASN A 90 9.344 0.185 40.986 1.00 11.45 C ATOM 1173 CG ASN A 90 9.610 -0.152 42.439 1.00 74.41 C ATOM 1174 OD1 ASN A 90 10.210 -1.181 42.749 1.00 75.43 O ATOM 1175 ND2 ASN A 90 9.163 0.716 43.339 1.00 45.04 N ATOM 0 H ASN A 90 9.375 -0.162 38.534 1.00 41.43 H new ATOM 0 HA ASN A 90 8.680 -1.843 40.731 1.00 71.14 H new ATOM 0 HB2 ASN A 90 10.293 0.274 40.457 1.00 11.45 H new ATOM 0 HB3 ASN A 90 8.853 1.156 40.925 1.00 11.45 H new ATOM 0 HD21 ASN A 90 9.312 0.542 44.333 1.00 45.04 H new ATOM 0 HD22 ASN A 90 8.670 1.556 43.036 1.00 45.04 H new ATOM 1181 N ASP A 91 6.599 0.657 40.090 1.00 51.44 N ATOM 1182 CA ASP A 91 5.213 1.090 40.231 1.00 40.44 C ATOM 1183 C ASP A 91 4.257 0.046 39.663 1.00 42.45 C ATOM 1184 O ASP A 91 3.081 0.008 40.019 1.00 23.24 O ATOM 1185 CB ASP A 91 5.002 2.430 39.525 1.00 63.44 C ATOM 1186 CG ASP A 91 5.891 3.524 40.082 1.00 45.55 C ATOM 1187 OD1 ASP A 91 6.302 3.414 41.257 1.00 30.13 O ATOM 1188 OD2 ASP A 91 6.178 4.490 39.344 1.00 42.23 O ATOM 0 H ASP A 91 7.214 1.346 39.657 1.00 51.44 H new ATOM 0 HA ASP A 91 5.001 1.210 41.294 1.00 40.44 H new ATOM 0 HB2 ASP A 91 5.201 2.311 38.460 1.00 63.44 H new ATOM 0 HB3 ASP A 91 3.958 2.729 39.623 1.00 63.44 H new ATOM 1192 N ALA A 92 4.772 -0.800 38.775 1.00 72.43 N ATOM 1193 CA ALA A 92 3.964 -1.845 38.159 1.00 65.00 C ATOM 1194 C ALA A 92 4.089 -3.158 38.924 1.00 51.30 C ATOM 1195 O ALA A 92 3.114 -3.894 39.077 1.00 42.23 O ATOM 1196 CB ALA A 92 4.372 -2.038 36.706 1.00 14.44 C ATOM 0 H ALA A 92 5.744 -0.781 38.467 1.00 72.43 H new ATOM 0 HA ALA A 92 2.920 -1.532 38.194 1.00 65.00 H new ATOM 0 HB1 ALA A 92 3.761 -2.821 36.257 1.00 14.44 H new ATOM 0 HB2 ALA A 92 4.225 -1.106 36.160 1.00 14.44 H new ATOM 0 HB3 ALA A 92 5.422 -2.325 36.658 1.00 14.44 H new ATOM 1202 N VAL A 93 5.296 -3.447 39.402 1.00 52.31 N ATOM 1203 CA VAL A 93 5.548 -4.672 40.151 1.00 75.31 C ATOM 1204 C VAL A 93 5.529 -4.412 41.653 1.00 20.32 C ATOM 1205 O VAL A 93 4.920 -5.162 42.415 1.00 22.11 O ATOM 1206 CB VAL A 93 6.902 -5.297 39.767 1.00 11.34 C ATOM 1207 CG1 VAL A 93 8.013 -4.750 40.650 1.00 63.00 C ATOM 1208 CG2 VAL A 93 6.835 -6.814 39.860 1.00 13.14 C ATOM 0 H VAL A 93 6.114 -2.849 39.284 1.00 52.31 H new ATOM 0 HA VAL A 93 4.749 -5.368 39.895 1.00 75.31 H new ATOM 0 HB VAL A 93 7.125 -5.029 38.734 1.00 11.34 H new ATOM 0 HG11 VAL A 93 8.962 -5.203 40.364 1.00 63.00 H new ATOM 0 HG12 VAL A 93 8.076 -3.669 40.528 1.00 63.00 H new ATOM 0 HG13 VAL A 93 7.798 -4.985 41.692 1.00 63.00 H new ATOM 0 HG21 VAL A 93 7.801 -7.238 39.585 1.00 13.14 H new ATOM 0 HG22 VAL A 93 6.588 -7.105 40.881 1.00 13.14 H new ATOM 0 HG23 VAL A 93 6.068 -7.187 39.181 1.00 13.14 H new ATOM 1218 N GLU A 94 6.199 -3.343 42.072 1.00 13.42 N ATOM 1219 CA GLU A 94 6.260 -2.983 43.483 1.00 54.11 C ATOM 1220 C GLU A 94 4.878 -2.600 44.006 1.00 64.21 C ATOM 1221 O GLU A 94 4.487 -2.993 45.106 1.00 45.22 O ATOM 1222 CB GLU A 94 7.237 -1.825 43.696 1.00 75.32 C ATOM 1223 CG GLU A 94 7.642 -1.631 45.148 1.00 45.43 C ATOM 1224 CD GLU A 94 6.518 -1.072 45.998 1.00 63.31 C ATOM 1225 OE1 GLU A 94 6.074 0.062 45.722 1.00 2.52 O ATOM 1226 OE2 GLU A 94 6.083 -1.767 46.939 1.00 40.23 O ATOM 0 H GLU A 94 6.707 -2.711 41.453 1.00 13.42 H new ATOM 0 HA GLU A 94 6.613 -3.852 44.038 1.00 54.11 H new ATOM 0 HB2 GLU A 94 8.131 -2.000 43.098 1.00 75.32 H new ATOM 0 HB3 GLU A 94 6.783 -0.905 43.328 1.00 75.32 H new ATOM 0 HG2 GLU A 94 7.965 -2.586 45.562 1.00 45.43 H new ATOM 0 HG3 GLU A 94 8.498 -0.958 45.196 1.00 45.43 H new ATOM 1231 N TYR A 95 4.143 -1.832 43.210 1.00 23.34 N ATOM 1232 CA TYR A 95 2.807 -1.392 43.593 1.00 72.11 C ATOM 1233 C TYR A 95 1.790 -2.514 43.405 1.00 61.33 C ATOM 1234 O TYR A 95 0.968 -2.776 44.283 1.00 21.03 O ATOM 1235 CB TYR A 95 2.393 -0.170 42.771 1.00 51.31 C ATOM 1236 CG TYR A 95 1.049 0.399 43.166 1.00 2.43 C ATOM 1237 CD1 TYR A 95 -0.130 -0.146 42.674 1.00 11.34 C ATOM 1238 CD2 TYR A 95 0.959 1.482 44.033 1.00 51.41 C ATOM 1239 CE1 TYR A 95 -1.360 0.372 43.031 1.00 4.11 C ATOM 1240 CE2 TYR A 95 -0.266 2.005 44.397 1.00 5.13 C ATOM 1241 CZ TYR A 95 -1.422 1.447 43.894 1.00 12.14 C ATOM 1242 OH TYR A 95 -2.645 1.965 44.253 1.00 22.51 O ATOM 0 H TYR A 95 4.450 -1.501 42.295 1.00 23.34 H new ATOM 0 HA TYR A 95 2.831 -1.120 44.648 1.00 72.11 H new ATOM 0 HB2 TYR A 95 3.152 0.605 42.880 1.00 51.31 H new ATOM 0 HB3 TYR A 95 2.366 -0.444 41.716 1.00 51.31 H new ATOM 0 HD1 TYR A 95 -0.084 -0.989 42.001 1.00 11.34 H new ATOM 0 HD2 TYR A 95 1.863 1.922 44.429 1.00 51.41 H new ATOM 0 HE1 TYR A 95 -2.267 -0.062 42.637 1.00 4.11 H new ATOM 0 HE2 TYR A 95 -0.318 2.846 45.072 1.00 5.13 H new ATOM 0 HH TYR A 95 -2.514 2.718 44.867 1.00 22.51 H new ATOM 1251 N VAL A 96 1.852 -3.173 42.253 1.00 21.11 N ATOM 1252 CA VAL A 96 0.940 -4.268 41.948 1.00 33.50 C ATOM 1253 C VAL A 96 1.419 -5.574 42.572 1.00 61.20 C ATOM 1254 O VAL A 96 0.799 -6.095 43.499 1.00 75.02 O ATOM 1255 CB VAL A 96 0.785 -4.465 40.428 1.00 44.33 C ATOM 1256 CG1 VAL A 96 -0.299 -5.488 40.129 1.00 1.13 C ATOM 1257 CG2 VAL A 96 0.483 -3.138 39.748 1.00 75.30 C ATOM 0 H VAL A 96 2.525 -2.967 41.515 1.00 21.11 H new ATOM 0 HA VAL A 96 -0.027 -3.999 42.372 1.00 33.50 H new ATOM 0 HB VAL A 96 1.726 -4.845 40.030 1.00 44.33 H new ATOM 0 HG11 VAL A 96 -0.393 -5.613 39.050 1.00 1.13 H new ATOM 0 HG12 VAL A 96 -0.034 -6.443 40.583 1.00 1.13 H new ATOM 0 HG13 VAL A 96 -1.248 -5.143 40.539 1.00 1.13 H new ATOM 0 HG21 VAL A 96 0.377 -3.295 38.675 1.00 75.30 H new ATOM 0 HG22 VAL A 96 -0.444 -2.727 40.148 1.00 75.30 H new ATOM 0 HG23 VAL A 96 1.300 -2.440 39.933 1.00 75.30 H new ATOM 1267 N SER A 97 2.528 -6.096 42.059 1.00 50.12 N ATOM 1268 CA SER A 97 3.090 -7.343 42.564 1.00 51.12 C ATOM 1269 C SER A 97 3.354 -7.252 44.065 1.00 14.14 C ATOM 1270 O SER A 97 3.460 -8.268 44.750 1.00 74.11 O ATOM 1271 CB SER A 97 4.388 -7.678 41.827 1.00 43.31 C ATOM 1272 OG SER A 97 5.497 -7.655 42.709 1.00 33.30 O ATOM 0 H SER A 97 3.055 -5.675 41.294 1.00 50.12 H new ATOM 0 HA SER A 97 2.364 -8.137 42.387 1.00 51.12 H new ATOM 0 HB2 SER A 97 4.305 -8.663 41.368 1.00 43.31 H new ATOM 0 HB3 SER A 97 4.546 -6.963 41.020 1.00 43.31 H new ATOM 0 HG SER A 97 5.712 -6.727 42.940 1.00 33.30 H new ATOM 1277 N GLY A 98 3.459 -6.026 44.567 1.00 62.34 N ATOM 1278 CA GLY A 98 3.708 -5.824 45.983 1.00 4.52 C ATOM 1279 C GLY A 98 2.435 -5.829 46.803 1.00 34.30 C ATOM 1280 O GLY A 98 2.424 -6.299 47.942 1.00 12.40 O ATOM 0 H GLY A 98 3.376 -5.169 44.020 1.00 62.34 H new ATOM 0 HA2 GLY A 98 4.374 -6.607 46.347 1.00 4.52 H new ATOM 0 HA3 GLY A 98 4.224 -4.875 46.126 1.00 4.52 H new ATOM 1283 N ARG A 99 1.359 -5.305 46.226 1.00 70.33 N ATOM 1284 CA ARG A 99 0.074 -5.249 46.913 1.00 42.21 C ATOM 1285 C ARG A 99 -0.584 -6.626 46.950 1.00 2.21 C ATOM 1286 O ARG A 99 -1.379 -6.921 47.841 1.00 52.15 O ATOM 1287 CB ARG A 99 -0.854 -4.247 46.224 1.00 34.14 C ATOM 1288 CG ARG A 99 -1.339 -4.706 44.858 1.00 44.41 C ATOM 1289 CD ARG A 99 -2.665 -4.059 44.492 1.00 33.25 C ATOM 1290 NE ARG A 99 -3.402 -4.842 43.504 1.00 55.11 N ATOM 1291 CZ ARG A 99 -4.444 -4.377 42.825 1.00 4.45 C ATOM 1292 NH1 ARG A 99 -4.869 -3.137 43.025 1.00 21.13 N ATOM 1293 NH2 ARG A 99 -5.062 -5.151 41.943 1.00 52.00 N ATOM 0 H ARG A 99 1.351 -4.913 45.284 1.00 70.33 H new ATOM 0 HA ARG A 99 0.253 -4.923 47.938 1.00 42.21 H new ATOM 0 HB2 ARG A 99 -1.717 -4.064 46.864 1.00 34.14 H new ATOM 0 HB3 ARG A 99 -0.332 -3.297 46.114 1.00 34.14 H new ATOM 0 HG2 ARG A 99 -0.592 -4.459 44.104 1.00 44.41 H new ATOM 0 HG3 ARG A 99 -1.449 -5.790 44.855 1.00 44.41 H new ATOM 0 HD2 ARG A 99 -3.272 -3.944 45.390 1.00 33.25 H new ATOM 0 HD3 ARG A 99 -2.484 -3.058 44.100 1.00 33.25 H new ATOM 0 HE ARG A 99 -3.099 -5.800 43.326 1.00 55.11 H new ATOM 0 HH11 ARG A 99 -4.395 -2.538 43.701 1.00 21.13 H new ATOM 0 HH12 ARG A 99 -5.670 -2.782 42.502 1.00 21.13 H new ATOM 0 HH21 ARG A 99 -4.737 -6.105 41.786 1.00 52.00 H new ATOM 0 HH22 ARG A 99 -5.862 -4.792 41.422 1.00 52.00 H new ATOM 1304 N VAL A 100 -0.245 -7.464 45.975 1.00 1.44 N ATOM 1305 CA VAL A 100 -0.802 -8.809 45.895 1.00 41.20 C ATOM 1306 C VAL A 100 0.012 -9.790 46.732 1.00 12.24 C ATOM 1307 O VAL A 100 -0.532 -10.739 47.299 1.00 4.53 O ATOM 1308 CB VAL A 100 -0.852 -9.310 44.440 1.00 3.51 C ATOM 1309 CG1 VAL A 100 0.544 -9.657 43.945 1.00 24.53 C ATOM 1310 CG2 VAL A 100 -1.780 -10.509 44.322 1.00 14.44 C ATOM 0 H VAL A 100 0.413 -7.235 45.230 1.00 1.44 H new ATOM 0 HA VAL A 100 -1.818 -8.756 46.287 1.00 41.20 H new ATOM 0 HB VAL A 100 -1.245 -8.510 43.813 1.00 3.51 H new ATOM 0 HG11 VAL A 100 0.488 -10.009 42.915 1.00 24.53 H new ATOM 0 HG12 VAL A 100 1.177 -8.771 43.992 1.00 24.53 H new ATOM 0 HG13 VAL A 100 0.969 -10.440 44.573 1.00 24.53 H new ATOM 0 HG21 VAL A 100 -1.804 -10.850 43.287 1.00 14.44 H new ATOM 0 HG22 VAL A 100 -1.418 -11.314 44.961 1.00 14.44 H new ATOM 0 HG23 VAL A 100 -2.785 -10.223 44.633 1.00 14.44 H new ATOM 1320 N HIS A 101 1.318 -9.555 46.806 1.00 14.41 N ATOM 1321 CA HIS A 101 2.208 -10.419 47.574 1.00 24.45 C ATOM 1322 C HIS A 101 2.234 -10.001 49.041 1.00 44.44 C ATOM 1323 O HIS A 101 2.418 -10.833 49.930 1.00 3.34 O ATOM 1324 CB HIS A 101 3.621 -10.376 46.993 1.00 1.30 C ATOM 1325 CG HIS A 101 4.476 -11.532 47.413 1.00 51.24 C ATOM 1326 ND1 HIS A 101 5.815 -11.407 47.715 1.00 65.35 N ATOM 1327 CD2 HIS A 101 4.175 -12.841 47.581 1.00 32.24 C ATOM 1328 CE1 HIS A 101 6.302 -12.589 48.050 1.00 23.13 C ATOM 1329 NE2 HIS A 101 5.326 -13.476 47.977 1.00 31.14 N ATOM 0 H HIS A 101 1.784 -8.774 46.344 1.00 14.41 H new ATOM 0 HA HIS A 101 1.830 -11.439 47.511 1.00 24.45 H new ATOM 0 HB2 HIS A 101 3.557 -10.358 45.905 1.00 1.30 H new ATOM 0 HB3 HIS A 101 4.103 -9.448 47.300 1.00 1.30 H new ATOM 0 HD2 HIS A 101 3.209 -13.300 47.431 1.00 32.24 H new ATOM 0 HE1 HIS A 101 7.323 -12.795 48.335 1.00 23.13 H new ATOM 0 HE2 HIS A 101 5.413 -14.471 48.182 1.00 31.14 H new