USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 587 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 Set 1.1: A 27 LYS NZ :NH3+ 156:sc= 1.24 (180deg=0) USER MOD Set 1.2: A 80 ASN : amide:sc= 0.492 K(o=1.7,f=-12!) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.284 F(o=-3.5!,f=-0.28) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 31 THR OG1 : rot -5:sc= -0.244 USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= -0.0784 (180deg=-0.743) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -8.43! C(o=-8.4!,f=-14!) USER MOD Single : A 42 LYS NZ :NH3+ -152:sc= -0.106 (180deg=-0.603) USER MOD Single : A 44 THR OG1 : rot 96:sc= 1.24 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -160:sc= -0.0249 (180deg=-0.269) USER MOD Single : A 52 SER OG : rot 180:sc= -1.89 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0621 USER MOD Single : A 58 MET CE :methyl 157:sc= -0.156 (180deg=-1.35) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.34) USER MOD Single : A 71 GLN :FLIP amide:sc= -8.48! C(o=-11!,f=-8.5!) USER MOD Single : A 77 LYS NZ :NH3+ -111:sc= -1.81! (180deg=-4.54!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -157:sc= -0.207 (180deg=-1.08) USER MOD Single : A 88 GLN :FLIP amide:sc= -3.99! C(o=-7.3!,f=-4!) USER MOD Single : A 93 GLN : amide:sc= -0.0201 X(o=-0.02,f=-0.02) USER MOD Single : A 95 LYS NZ :NH3+ 140:sc= -0.362 (180deg=-1.42!) USER MOD Single : A 96 THR OG1 : rot 76:sc= 0.86 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 275 N ASN A 22 3.701 -19.122 -1.292 1.00 0.00 N ATOM 276 CA ASN A 22 3.747 -18.973 -2.787 1.00 0.00 C ATOM 277 C ASN A 22 3.345 -17.562 -3.194 1.00 0.00 C ATOM 278 O ASN A 22 2.340 -17.355 -3.840 1.00 0.00 O ATOM 279 CB ASN A 22 2.800 -19.951 -3.465 1.00 0.00 C ATOM 280 CG ASN A 22 3.111 -19.994 -4.970 1.00 0.00 C ATOM 281 OD1 ASN A 22 4.021 -19.190 -5.476 1.00 0.00 O flip ATOM 282 ND2 ASN A 22 2.524 -20.770 -5.697 1.00 0.00 N flip ATOM 0 HA ASN A 22 4.770 -19.179 -3.101 1.00 0.00 H new ATOM 0 HB2 ASN A 22 2.911 -20.944 -3.030 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.766 -19.646 -3.304 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.817 -21.396 -5.310 1.00 0.00 H new ATOM 0 HD22 ASN A 22 2.738 -20.796 -6.694 1.00 0.00 H new ATOM 289 N ALA A 23 4.121 -16.598 -2.828 1.00 0.00 N ATOM 290 CA ALA A 23 3.789 -15.199 -3.200 1.00 0.00 C ATOM 291 C ALA A 23 2.490 -14.791 -2.494 1.00 0.00 C ATOM 292 O ALA A 23 2.056 -13.660 -2.582 1.00 0.00 O ATOM 293 CB ALA A 23 3.623 -15.096 -4.723 1.00 0.00 C ATOM 0 H ALA A 23 4.977 -16.712 -2.285 1.00 0.00 H new ATOM 0 HA ALA A 23 4.592 -14.530 -2.891 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.379 -14.069 -4.994 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.553 -15.389 -5.211 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.819 -15.757 -5.047 1.00 0.00 H new ATOM 299 N ALA A 24 1.879 -15.704 -1.773 1.00 0.00 N ATOM 300 CA ALA A 24 0.627 -15.357 -1.043 1.00 0.00 C ATOM 301 C ALA A 24 0.980 -14.255 -0.062 1.00 0.00 C ATOM 302 O ALA A 24 0.356 -13.214 -0.018 1.00 0.00 O ATOM 303 CB ALA A 24 0.102 -16.580 -0.273 1.00 0.00 C ATOM 0 H ALA A 24 2.195 -16.667 -1.662 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.148 -15.037 -1.740 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.813 -16.312 0.256 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.107 -17.389 -0.973 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.853 -16.908 0.445 1.00 0.00 H new ATOM 309 N GLN A 25 2.004 -14.470 0.707 1.00 0.00 N ATOM 310 CA GLN A 25 2.433 -13.432 1.671 1.00 0.00 C ATOM 311 C GLN A 25 2.800 -12.155 0.904 1.00 0.00 C ATOM 312 O GLN A 25 2.498 -11.055 1.330 1.00 0.00 O ATOM 313 CB GLN A 25 3.613 -13.986 2.505 1.00 0.00 C ATOM 314 CG GLN A 25 4.976 -13.727 1.849 1.00 0.00 C ATOM 315 CD GLN A 25 6.070 -14.174 2.813 1.00 0.00 C ATOM 316 OE1 GLN A 25 5.800 -14.848 3.783 1.00 0.00 O ATOM 317 NE2 GLN A 25 7.304 -13.818 2.591 1.00 0.00 N ATOM 0 H GLN A 25 2.563 -15.323 0.708 1.00 0.00 H new ATOM 0 HA GLN A 25 1.630 -13.176 2.362 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.598 -13.530 3.495 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.480 -15.059 2.646 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.054 -14.273 0.909 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.088 -12.669 1.613 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.532 -13.251 1.775 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.042 -14.107 3.234 1.00 0.00 H new ATOM 326 N VAL A 26 3.453 -12.286 -0.216 1.00 0.00 N ATOM 327 CA VAL A 26 3.840 -11.075 -0.992 1.00 0.00 C ATOM 328 C VAL A 26 2.615 -10.481 -1.692 1.00 0.00 C ATOM 329 O VAL A 26 2.542 -9.294 -1.909 1.00 0.00 O ATOM 330 CB VAL A 26 4.891 -11.453 -2.031 1.00 0.00 C ATOM 331 CG1 VAL A 26 5.246 -10.225 -2.875 1.00 0.00 C ATOM 332 CG2 VAL A 26 6.139 -11.972 -1.308 1.00 0.00 C ATOM 0 H VAL A 26 3.735 -13.176 -0.627 1.00 0.00 H new ATOM 0 HA VAL A 26 4.250 -10.331 -0.309 1.00 0.00 H new ATOM 0 HB VAL A 26 4.501 -12.230 -2.689 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.997 -10.498 -3.616 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.352 -9.861 -3.381 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.642 -9.442 -2.229 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.897 -12.245 -2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.531 -11.193 -0.654 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.877 -12.847 -0.713 1.00 0.00 H new ATOM 342 N LYS A 27 1.658 -11.289 -2.058 1.00 0.00 N ATOM 343 CA LYS A 27 0.459 -10.737 -2.756 1.00 0.00 C ATOM 344 C LYS A 27 -0.363 -9.873 -1.791 1.00 0.00 C ATOM 345 O LYS A 27 -0.616 -8.715 -2.051 1.00 0.00 O ATOM 346 CB LYS A 27 -0.407 -11.893 -3.273 1.00 0.00 C ATOM 347 CG LYS A 27 0.177 -12.447 -4.591 1.00 0.00 C ATOM 348 CD LYS A 27 -0.178 -13.932 -4.721 1.00 0.00 C ATOM 349 CE LYS A 27 -1.701 -14.108 -4.615 1.00 0.00 C ATOM 350 NZ LYS A 27 -2.123 -15.259 -5.458 1.00 0.00 N ATOM 0 H LYS A 27 1.652 -12.298 -1.907 1.00 0.00 H new ATOM 0 HA LYS A 27 0.787 -10.120 -3.593 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.453 -12.685 -2.526 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.428 -11.548 -3.436 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.221 -11.891 -5.440 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.259 -12.318 -4.605 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.178 -14.319 -5.676 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.320 -14.505 -3.939 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.988 -14.278 -3.577 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.207 -13.199 -4.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.023 -15.639 -5.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.246 -14.943 -6.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.395 -16.001 -5.422 1.00 0.00 H new ATOM 364 N ASP A 28 -0.788 -10.429 -0.686 1.00 0.00 N ATOM 365 CA ASP A 28 -1.601 -9.632 0.284 1.00 0.00 C ATOM 366 C ASP A 28 -0.807 -8.402 0.712 1.00 0.00 C ATOM 367 O ASP A 28 -1.357 -7.386 1.077 1.00 0.00 O ATOM 368 CB ASP A 28 -1.912 -10.484 1.515 1.00 0.00 C ATOM 369 CG ASP A 28 -0.656 -11.255 1.927 1.00 0.00 C ATOM 370 OD1 ASP A 28 0.342 -10.613 2.215 1.00 0.00 O ATOM 371 OD2 ASP A 28 -0.711 -12.472 1.946 1.00 0.00 O ATOM 0 H ASP A 28 -0.609 -11.395 -0.413 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.533 -9.325 -0.190 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -2.249 -9.850 2.335 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.723 -11.178 1.296 1.00 0.00 H new ATOM 376 N ALA A 29 0.485 -8.478 0.664 1.00 0.00 N ATOM 377 CA ALA A 29 1.296 -7.307 1.050 1.00 0.00 C ATOM 378 C ALA A 29 0.961 -6.173 0.097 1.00 0.00 C ATOM 379 O ALA A 29 0.766 -5.047 0.499 1.00 0.00 O ATOM 380 CB ALA A 29 2.782 -7.661 0.966 1.00 0.00 C ATOM 0 H ALA A 29 1.013 -9.301 0.374 1.00 0.00 H new ATOM 0 HA ALA A 29 1.078 -7.005 2.074 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.379 -6.795 1.251 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.998 -8.489 1.641 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.030 -7.952 -0.055 1.00 0.00 H new ATOM 386 N LEU A 30 0.873 -6.459 -1.169 1.00 0.00 N ATOM 387 CA LEU A 30 0.533 -5.380 -2.119 1.00 0.00 C ATOM 388 C LEU A 30 -0.837 -4.808 -1.732 1.00 0.00 C ATOM 389 O LEU A 30 -1.044 -3.611 -1.747 1.00 0.00 O ATOM 390 CB LEU A 30 0.520 -5.908 -3.557 1.00 0.00 C ATOM 391 CG LEU A 30 1.805 -6.709 -3.833 1.00 0.00 C ATOM 392 CD1 LEU A 30 1.638 -7.571 -5.088 1.00 0.00 C ATOM 393 CD2 LEU A 30 2.991 -5.758 -4.038 1.00 0.00 C ATOM 0 H LEU A 30 1.020 -7.381 -1.579 1.00 0.00 H new ATOM 0 HA LEU A 30 1.285 -4.593 -2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.354 -6.541 -3.713 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.442 -5.077 -4.258 1.00 0.00 H new ATOM 0 HG LEU A 30 1.995 -7.351 -2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.555 -8.131 -5.269 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.811 -8.266 -4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.429 -6.930 -5.944 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.893 -6.338 -4.232 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.790 -5.104 -4.887 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.133 -5.155 -3.141 1.00 0.00 H new ATOM 405 N THR A 31 -1.770 -5.652 -1.363 1.00 0.00 N ATOM 406 CA THR A 31 -3.114 -5.148 -0.950 1.00 0.00 C ATOM 407 C THR A 31 -2.963 -4.318 0.330 1.00 0.00 C ATOM 408 O THR A 31 -3.692 -3.382 0.568 1.00 0.00 O ATOM 409 CB THR A 31 -4.066 -6.322 -0.692 1.00 0.00 C ATOM 410 OG1 THR A 31 -3.476 -7.213 0.239 1.00 0.00 O ATOM 411 CG2 THR A 31 -4.355 -7.063 -1.999 1.00 0.00 C ATOM 0 H THR A 31 -1.658 -6.665 -1.330 1.00 0.00 H new ATOM 0 HA THR A 31 -3.528 -4.531 -1.748 1.00 0.00 H new ATOM 0 HB THR A 31 -5.003 -5.938 -0.288 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.564 -6.917 0.442 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.032 -7.895 -1.804 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.817 -6.379 -2.711 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.422 -7.444 -2.415 1.00 0.00 H new ATOM 419 N LYS A 32 -2.022 -4.657 1.157 1.00 0.00 N ATOM 420 CA LYS A 32 -1.826 -3.881 2.410 1.00 0.00 C ATOM 421 C LYS A 32 -1.411 -2.455 2.046 1.00 0.00 C ATOM 422 O LYS A 32 -1.988 -1.491 2.512 1.00 0.00 O ATOM 423 CB LYS A 32 -0.729 -4.548 3.247 1.00 0.00 C ATOM 424 CG LYS A 32 -0.584 -3.839 4.619 1.00 0.00 C ATOM 425 CD LYS A 32 0.548 -2.801 4.571 1.00 0.00 C ATOM 426 CE LYS A 32 0.841 -2.310 5.983 1.00 0.00 C ATOM 427 NZ LYS A 32 -0.441 -2.031 6.682 1.00 0.00 N ATOM 0 H LYS A 32 -1.379 -5.437 1.022 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.750 -3.854 2.988 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.969 -5.600 3.399 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.219 -4.511 2.710 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.522 -3.351 4.884 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.378 -4.575 5.396 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.444 -3.243 4.134 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.262 -1.964 3.934 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.411 -3.061 6.530 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.453 -1.409 5.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.267 -1.396 7.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.105 -1.579 6.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.849 -2.923 7.027 1.00 0.00 H new ATOM 441 N MET A 33 -0.410 -2.311 1.214 1.00 0.00 N ATOM 442 CA MET A 33 0.042 -0.942 0.819 1.00 0.00 C ATOM 443 C MET A 33 -1.097 -0.212 0.091 1.00 0.00 C ATOM 444 O MET A 33 -1.199 0.999 0.135 1.00 0.00 O ATOM 445 CB MET A 33 1.262 -1.047 -0.110 1.00 0.00 C ATOM 446 CG MET A 33 2.387 -1.840 0.576 1.00 0.00 C ATOM 447 SD MET A 33 3.978 -1.423 -0.184 1.00 0.00 S ATOM 448 CE MET A 33 4.070 -2.799 -1.363 1.00 0.00 C ATOM 0 H MET A 33 0.112 -3.079 0.793 1.00 0.00 H new ATOM 0 HA MET A 33 0.317 -0.383 1.713 1.00 0.00 H new ATOM 0 HB2 MET A 33 0.978 -1.537 -1.041 1.00 0.00 H new ATOM 0 HB3 MET A 33 1.617 -0.050 -0.370 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.410 -1.610 1.641 1.00 0.00 H new ATOM 0 HG3 MET A 33 2.199 -2.910 0.485 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.992 -2.724 -1.939 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.057 -3.744 -0.821 1.00 0.00 H new ATOM 0 HE3 MET A 33 3.216 -2.757 -2.039 1.00 0.00 H new ATOM 458 N ARG A 34 -1.960 -0.940 -0.575 1.00 0.00 N ATOM 459 CA ARG A 34 -3.089 -0.283 -1.297 1.00 0.00 C ATOM 460 C ARG A 34 -3.916 0.525 -0.310 1.00 0.00 C ATOM 461 O ARG A 34 -4.072 1.723 -0.447 1.00 0.00 O ATOM 462 CB ARG A 34 -3.977 -1.352 -1.948 1.00 0.00 C ATOM 463 CG ARG A 34 -5.207 -0.680 -2.552 1.00 0.00 C ATOM 464 CD ARG A 34 -5.906 -1.631 -3.526 1.00 0.00 C ATOM 465 NE ARG A 34 -7.028 -0.892 -4.173 1.00 0.00 N ATOM 466 CZ ARG A 34 -7.945 -1.527 -4.857 1.00 0.00 C ATOM 467 NH1 ARG A 34 -7.888 -2.821 -5.008 1.00 0.00 N ATOM 468 NH2 ARG A 34 -8.936 -0.854 -5.386 1.00 0.00 N ATOM 0 H ARG A 34 -1.930 -1.957 -0.649 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.690 0.376 -2.068 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.421 -1.883 -2.721 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.279 -2.092 -1.207 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.896 -0.388 -1.760 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.913 0.232 -3.071 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.203 -1.989 -4.278 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.282 -2.507 -2.998 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.081 0.122 -4.081 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.122 -3.350 -4.591 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.609 -3.304 -5.544 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.989 0.157 -5.263 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -9.655 -1.341 -5.921 1.00 0.00 H new ATOM 482 N ALA A 35 -4.458 -0.112 0.680 1.00 0.00 N ATOM 483 CA ALA A 35 -5.280 0.641 1.660 1.00 0.00 C ATOM 484 C ALA A 35 -4.418 1.732 2.313 1.00 0.00 C ATOM 485 O ALA A 35 -4.913 2.771 2.700 1.00 0.00 O ATOM 486 CB ALA A 35 -5.811 -0.320 2.725 1.00 0.00 C ATOM 0 H ALA A 35 -4.370 -1.113 0.855 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.124 1.109 1.153 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.415 0.232 3.445 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.423 -1.087 2.250 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.974 -0.791 3.240 1.00 0.00 H new ATOM 492 N ALA A 36 -3.130 1.513 2.422 1.00 0.00 N ATOM 493 CA ALA A 36 -2.235 2.541 3.040 1.00 0.00 C ATOM 494 C ALA A 36 -2.296 3.843 2.236 1.00 0.00 C ATOM 495 O ALA A 36 -2.423 4.918 2.790 1.00 0.00 O ATOM 496 CB ALA A 36 -0.794 2.024 3.058 1.00 0.00 C ATOM 0 H ALA A 36 -2.659 0.664 2.109 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.569 2.733 4.060 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.144 2.774 3.508 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.745 1.104 3.641 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.466 1.825 2.038 1.00 0.00 H new ATOM 502 N ALA A 37 -2.202 3.765 0.938 1.00 0.00 N ATOM 503 CA ALA A 37 -2.261 5.012 0.133 1.00 0.00 C ATOM 504 C ALA A 37 -3.615 5.681 0.372 1.00 0.00 C ATOM 505 O ALA A 37 -3.699 6.870 0.605 1.00 0.00 O ATOM 506 CB ALA A 37 -2.112 4.672 -1.353 1.00 0.00 C ATOM 0 H ALA A 37 -2.088 2.902 0.407 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.455 5.684 0.426 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.156 5.588 -1.942 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.154 4.179 -1.519 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.920 4.007 -1.657 1.00 0.00 H new ATOM 512 N LEU A 38 -4.670 4.911 0.322 1.00 0.00 N ATOM 513 CA LEU A 38 -6.032 5.471 0.553 1.00 0.00 C ATOM 514 C LEU A 38 -6.180 5.890 2.012 1.00 0.00 C ATOM 515 O LEU A 38 -6.855 6.847 2.331 1.00 0.00 O ATOM 516 CB LEU A 38 -7.079 4.398 0.256 1.00 0.00 C ATOM 517 CG LEU A 38 -6.821 3.761 -1.112 1.00 0.00 C ATOM 518 CD1 LEU A 38 -7.812 2.605 -1.342 1.00 0.00 C ATOM 519 CD2 LEU A 38 -6.991 4.823 -2.205 1.00 0.00 C ATOM 0 H LEU A 38 -4.645 3.910 0.129 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.173 6.333 -0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.053 3.632 1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.076 4.839 0.276 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.805 3.367 -1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.625 2.154 -2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.681 1.853 -0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.832 2.988 -1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.808 4.373 -3.181 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.006 5.219 -2.173 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.280 5.632 -2.040 1.00 0.00 H new ATOM 531 N ASP A 39 -5.574 5.155 2.906 1.00 0.00 N ATOM 532 CA ASP A 39 -5.704 5.490 4.350 1.00 0.00 C ATOM 533 C ASP A 39 -5.203 6.911 4.584 1.00 0.00 C ATOM 534 O ASP A 39 -5.914 7.755 5.093 1.00 0.00 O ATOM 535 CB ASP A 39 -4.870 4.518 5.192 1.00 0.00 C ATOM 536 CG ASP A 39 -5.210 4.700 6.677 1.00 0.00 C ATOM 537 OD1 ASP A 39 -5.872 5.672 7.001 1.00 0.00 O ATOM 538 OD2 ASP A 39 -4.800 3.860 7.464 1.00 0.00 O ATOM 0 H ASP A 39 -4.997 4.340 2.698 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.751 5.411 4.642 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.071 3.491 4.886 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.808 4.698 5.027 1.00 0.00 H new ATOM 543 N ALA A 40 -3.980 7.186 4.224 1.00 0.00 N ATOM 544 CA ALA A 40 -3.437 8.555 4.440 1.00 0.00 C ATOM 545 C ALA A 40 -4.172 9.561 3.547 1.00 0.00 C ATOM 546 O ALA A 40 -4.087 10.756 3.741 1.00 0.00 O ATOM 547 CB ALA A 40 -1.939 8.576 4.116 1.00 0.00 C ATOM 0 H ALA A 40 -3.336 6.524 3.791 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.585 8.833 5.484 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.546 9.580 4.276 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.416 7.874 4.766 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.788 8.288 3.076 1.00 0.00 H new ATOM 553 N GLN A 41 -4.889 9.087 2.568 1.00 0.00 N ATOM 554 CA GLN A 41 -5.627 10.009 1.663 1.00 0.00 C ATOM 555 C GLN A 41 -6.847 10.589 2.388 1.00 0.00 C ATOM 556 O GLN A 41 -6.788 10.962 3.542 1.00 0.00 O ATOM 557 CB GLN A 41 -6.086 9.222 0.420 1.00 0.00 C ATOM 558 CG GLN A 41 -6.314 10.175 -0.781 1.00 0.00 C ATOM 559 CD GLN A 41 -7.581 9.775 -1.555 1.00 0.00 C ATOM 560 OE1 GLN A 41 -8.457 10.590 -1.766 1.00 0.00 O ATOM 561 NE2 GLN A 41 -7.718 8.550 -1.987 1.00 0.00 N ATOM 0 H GLN A 41 -4.996 8.095 2.355 1.00 0.00 H new ATOM 0 HA GLN A 41 -4.975 10.830 1.363 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.336 8.475 0.160 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.008 8.685 0.644 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.407 11.201 -0.426 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.450 10.145 -1.445 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.985 7.863 -1.812 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.558 8.281 -2.499 1.00 0.00 H new ATOM 570 N LYS A 42 -7.948 10.648 1.699 1.00 0.00 N ATOM 571 CA LYS A 42 -9.202 11.178 2.302 1.00 0.00 C ATOM 572 C LYS A 42 -9.823 10.108 3.203 1.00 0.00 C ATOM 573 O LYS A 42 -10.958 9.716 3.012 1.00 0.00 O ATOM 574 CB LYS A 42 -10.198 11.540 1.193 1.00 0.00 C ATOM 575 CG LYS A 42 -9.539 12.459 0.145 1.00 0.00 C ATOM 576 CD LYS A 42 -9.538 13.929 0.622 1.00 0.00 C ATOM 577 CE LYS A 42 -10.771 14.672 0.084 1.00 0.00 C ATOM 578 NZ LYS A 42 -10.689 14.792 -1.403 1.00 0.00 N ATOM 0 H LYS A 42 -8.035 10.347 0.728 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.971 12.068 2.888 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.559 10.631 0.711 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.066 12.038 1.626 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.516 12.132 -0.039 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.074 12.380 -0.801 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.532 13.964 1.711 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.630 14.427 0.282 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.679 14.137 0.364 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.833 15.663 0.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.205 15.641 -1.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.693 14.868 -1.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.113 13.950 -1.843 1.00 0.00 H new ATOM 592 N ALA A 43 -9.096 9.626 4.179 1.00 0.00 N ATOM 593 CA ALA A 43 -9.655 8.575 5.095 1.00 0.00 C ATOM 594 C ALA A 43 -9.225 8.878 6.537 1.00 0.00 C ATOM 595 O ALA A 43 -10.044 8.965 7.430 1.00 0.00 O ATOM 596 CB ALA A 43 -9.151 7.191 4.669 1.00 0.00 C ATOM 0 H ALA A 43 -8.139 9.912 4.384 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.743 8.581 5.038 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -9.560 6.433 5.337 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.472 6.985 3.648 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.062 7.169 4.719 1.00 0.00 H new ATOM 602 N THR A 44 -7.952 9.072 6.762 1.00 0.00 N ATOM 603 CA THR A 44 -7.446 9.404 8.127 1.00 0.00 C ATOM 604 C THR A 44 -6.527 10.619 7.972 1.00 0.00 C ATOM 605 O THR A 44 -5.392 10.609 8.401 1.00 0.00 O ATOM 606 CB THR A 44 -6.647 8.216 8.680 1.00 0.00 C ATOM 607 OG1 THR A 44 -7.394 7.018 8.507 1.00 0.00 O ATOM 608 CG2 THR A 44 -6.358 8.418 10.170 1.00 0.00 C ATOM 0 H THR A 44 -7.229 9.013 6.045 1.00 0.00 H new ATOM 0 HA THR A 44 -8.265 9.617 8.814 1.00 0.00 H new ATOM 0 HB THR A 44 -5.703 8.146 8.139 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.112 6.573 7.681 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.791 7.568 10.549 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.779 9.331 10.308 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.298 8.499 10.715 1.00 0.00 H new ATOM 616 N PRO A 45 -7.043 11.671 7.370 1.00 0.00 N ATOM 617 CA PRO A 45 -6.313 12.942 7.135 1.00 0.00 C ATOM 618 C PRO A 45 -5.177 13.203 8.139 1.00 0.00 C ATOM 619 O PRO A 45 -5.373 13.850 9.149 1.00 0.00 O ATOM 620 CB PRO A 45 -7.436 13.961 7.309 1.00 0.00 C ATOM 621 CG PRO A 45 -8.627 13.303 6.674 1.00 0.00 C ATOM 622 CD PRO A 45 -8.415 11.778 6.828 1.00 0.00 C ATOM 0 HA PRO A 45 -5.804 12.962 6.172 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.616 14.181 8.361 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.196 14.906 6.822 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.550 13.618 7.160 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -8.710 13.580 5.623 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.148 11.337 7.503 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.510 11.261 5.873 1.00 0.00 H new ATOM 630 N PRO A 46 -3.987 12.715 7.848 1.00 0.00 N ATOM 631 CA PRO A 46 -2.792 12.908 8.717 1.00 0.00 C ATOM 632 C PRO A 46 -2.010 14.169 8.323 1.00 0.00 C ATOM 633 O PRO A 46 -1.873 15.099 9.095 1.00 0.00 O ATOM 634 CB PRO A 46 -1.948 11.645 8.450 1.00 0.00 C ATOM 635 CG PRO A 46 -2.407 11.101 7.111 1.00 0.00 C ATOM 636 CD PRO A 46 -3.638 11.922 6.664 1.00 0.00 C ATOM 0 HA PRO A 46 -3.056 13.040 9.766 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -0.885 11.885 8.428 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.092 10.907 9.239 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.608 11.178 6.373 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.662 10.045 7.195 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -3.404 12.560 5.812 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.461 11.274 6.361 1.00 0.00 H new ATOM 644 N LYS A 47 -1.498 14.194 7.121 1.00 0.00 N ATOM 645 CA LYS A 47 -0.723 15.377 6.652 1.00 0.00 C ATOM 646 C LYS A 47 -1.707 16.463 6.206 1.00 0.00 C ATOM 647 O LYS A 47 -1.345 17.610 6.029 1.00 0.00 O ATOM 648 CB LYS A 47 0.170 14.979 5.461 1.00 0.00 C ATOM 649 CG LYS A 47 0.891 13.652 5.753 1.00 0.00 C ATOM 650 CD LYS A 47 2.004 13.425 4.713 1.00 0.00 C ATOM 651 CE LYS A 47 2.629 12.036 4.903 1.00 0.00 C ATOM 652 NZ LYS A 47 3.881 11.932 4.092 1.00 0.00 N ATOM 0 H LYS A 47 -1.585 13.440 6.440 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.094 15.748 7.461 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.436 14.881 4.560 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.902 15.763 5.269 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.316 13.671 6.756 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.180 12.827 5.724 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.595 13.514 3.706 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.770 14.194 4.815 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.852 11.868 5.957 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.922 11.264 4.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.302 10.990 4.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.656 12.074 3.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.557 12.659 4.402 1.00 0.00 H new ATOM 666 N LEU A 48 -2.947 16.105 6.027 1.00 0.00 N ATOM 667 CA LEU A 48 -3.958 17.109 5.592 1.00 0.00 C ATOM 668 C LEU A 48 -4.376 17.964 6.797 1.00 0.00 C ATOM 669 O LEU A 48 -5.546 18.138 7.080 1.00 0.00 O ATOM 670 CB LEU A 48 -5.180 16.373 4.996 1.00 0.00 C ATOM 671 CG LEU A 48 -4.951 16.052 3.506 1.00 0.00 C ATOM 672 CD1 LEU A 48 -3.992 14.862 3.370 1.00 0.00 C ATOM 673 CD2 LEU A 48 -6.292 15.705 2.843 1.00 0.00 C ATOM 0 H LEU A 48 -3.305 15.160 6.163 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.535 17.763 4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.360 15.451 5.548 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.072 16.990 5.107 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.515 16.923 3.016 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.835 14.640 2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.038 15.109 3.835 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.422 13.990 3.864 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.129 15.478 1.789 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.729 14.837 3.338 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.971 16.553 2.931 1.00 0.00 H new ATOM 685 N GLU A 49 -3.414 18.497 7.508 1.00 0.00 N ATOM 686 CA GLU A 49 -3.711 19.345 8.704 1.00 0.00 C ATOM 687 C GLU A 49 -3.630 20.834 8.330 1.00 0.00 C ATOM 688 O GLU A 49 -4.110 21.692 9.046 1.00 0.00 O ATOM 689 CB GLU A 49 -2.673 19.049 9.781 1.00 0.00 C ATOM 690 CG GLU A 49 -2.953 19.918 11.007 1.00 0.00 C ATOM 691 CD GLU A 49 -2.157 19.389 12.201 1.00 0.00 C ATOM 692 OE1 GLU A 49 -1.130 18.772 11.975 1.00 0.00 O ATOM 693 OE2 GLU A 49 -2.591 19.611 13.320 1.00 0.00 O ATOM 0 H GLU A 49 -2.421 18.379 7.308 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.714 19.122 9.066 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.706 17.994 10.054 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.671 19.249 9.401 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.678 20.953 10.803 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.019 19.911 11.235 1.00 0.00 H new ATOM 700 N ASP A 50 -3.012 21.140 7.220 1.00 0.00 N ATOM 701 CA ASP A 50 -2.865 22.565 6.792 1.00 0.00 C ATOM 702 C ASP A 50 -2.327 22.598 5.363 1.00 0.00 C ATOM 703 O ASP A 50 -1.360 23.272 5.063 1.00 0.00 O ATOM 704 CB ASP A 50 -1.872 23.292 7.705 1.00 0.00 C ATOM 705 CG ASP A 50 -1.716 24.740 7.235 1.00 0.00 C ATOM 706 OD1 ASP A 50 -2.619 25.523 7.479 1.00 0.00 O ATOM 707 OD2 ASP A 50 -0.698 25.041 6.633 1.00 0.00 O ATOM 0 H ASP A 50 -2.598 20.458 6.585 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.836 23.057 6.850 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.225 23.269 8.736 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.907 22.786 7.687 1.00 0.00 H new ATOM 712 N LYS A 51 -2.955 21.870 4.480 1.00 0.00 N ATOM 713 CA LYS A 51 -2.504 21.835 3.059 1.00 0.00 C ATOM 714 C LYS A 51 -3.733 21.815 2.146 1.00 0.00 C ATOM 715 O LYS A 51 -3.974 22.751 1.413 1.00 0.00 O ATOM 716 CB LYS A 51 -1.651 20.582 2.818 1.00 0.00 C ATOM 717 CG LYS A 51 -0.403 20.628 3.711 1.00 0.00 C ATOM 718 CD LYS A 51 0.463 19.383 3.477 1.00 0.00 C ATOM 719 CE LYS A 51 1.836 19.594 4.123 1.00 0.00 C ATOM 720 NZ LYS A 51 2.634 20.539 3.292 1.00 0.00 N ATOM 0 H LYS A 51 -3.770 21.292 4.685 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.903 22.717 2.840 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.233 19.686 3.035 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.358 20.525 1.770 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.174 21.527 3.495 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.699 20.683 4.759 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.021 18.504 3.903 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.575 19.199 2.408 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.719 19.990 5.132 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.358 18.641 4.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.644 20.430 3.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.478 20.333 2.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.338 21.515 3.495 1.00 0.00 H new ATOM 734 N SER A 52 -4.528 20.773 2.173 1.00 0.00 N ATOM 735 CA SER A 52 -5.723 20.757 1.284 1.00 0.00 C ATOM 736 C SER A 52 -5.250 21.047 -0.144 1.00 0.00 C ATOM 737 O SER A 52 -4.063 21.127 -0.387 1.00 0.00 O ATOM 738 CB SER A 52 -6.709 21.828 1.791 1.00 0.00 C ATOM 739 OG SER A 52 -8.032 21.305 1.767 1.00 0.00 O ATOM 0 H SER A 52 -4.402 19.949 2.761 1.00 0.00 H new ATOM 0 HA SER A 52 -6.231 19.793 1.291 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.445 22.130 2.804 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.647 22.719 1.166 1.00 0.00 H new ATOM 0 HG SER A 52 -8.659 21.985 2.091 1.00 0.00 H new ATOM 745 N PRO A 53 -6.150 21.190 -1.078 1.00 0.00 N ATOM 746 CA PRO A 53 -5.799 21.477 -2.507 1.00 0.00 C ATOM 747 C PRO A 53 -4.983 22.769 -2.652 1.00 0.00 C ATOM 748 O PRO A 53 -5.290 23.621 -3.462 1.00 0.00 O ATOM 749 CB PRO A 53 -7.169 21.607 -3.193 1.00 0.00 C ATOM 750 CG PRO A 53 -8.092 20.833 -2.314 1.00 0.00 C ATOM 751 CD PRO A 53 -7.603 21.083 -0.898 1.00 0.00 C ATOM 0 HA PRO A 53 -5.171 20.700 -2.943 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -7.477 22.650 -3.274 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.148 21.201 -4.204 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -9.123 21.164 -2.438 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -8.067 19.771 -2.557 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -8.028 21.994 -0.477 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -7.870 20.267 -0.227 1.00 0.00 H new ATOM 759 N ASP A 54 -3.943 22.908 -1.870 1.00 0.00 N ATOM 760 CA ASP A 54 -3.081 24.124 -1.938 1.00 0.00 C ATOM 761 C ASP A 54 -1.753 23.741 -2.583 1.00 0.00 C ATOM 762 O ASP A 54 -1.501 24.041 -3.734 1.00 0.00 O ATOM 763 CB ASP A 54 -2.836 24.664 -0.524 1.00 0.00 C ATOM 764 CG ASP A 54 -1.852 25.833 -0.601 1.00 0.00 C ATOM 765 OD1 ASP A 54 -1.794 26.462 -1.643 1.00 0.00 O ATOM 766 OD2 ASP A 54 -1.172 26.077 0.383 1.00 0.00 O ATOM 0 H ASP A 54 -3.651 22.219 -1.177 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.572 24.898 -2.529 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.775 24.991 -0.078 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.436 23.877 0.116 1.00 0.00 H new ATOM 771 N SER A 55 -0.906 23.062 -1.862 1.00 0.00 N ATOM 772 CA SER A 55 0.387 22.637 -2.448 1.00 0.00 C ATOM 773 C SER A 55 0.086 21.517 -3.472 1.00 0.00 C ATOM 774 O SER A 55 -1.064 21.230 -3.734 1.00 0.00 O ATOM 775 CB SER A 55 1.294 22.135 -1.310 1.00 0.00 C ATOM 776 OG SER A 55 0.837 22.699 -0.084 1.00 0.00 O ATOM 0 H SER A 55 -1.057 22.785 -0.892 1.00 0.00 H new ATOM 0 HA SER A 55 0.899 23.455 -2.955 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.269 21.047 -1.258 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.329 22.422 -1.496 1.00 0.00 H new ATOM 0 HG SER A 55 1.405 22.387 0.651 1.00 0.00 H new ATOM 782 N PRO A 56 1.081 20.881 -4.045 1.00 0.00 N ATOM 783 CA PRO A 56 0.852 19.777 -5.035 1.00 0.00 C ATOM 784 C PRO A 56 0.015 18.636 -4.448 1.00 0.00 C ATOM 785 O PRO A 56 -0.256 17.653 -5.110 1.00 0.00 O ATOM 786 CB PRO A 56 2.268 19.279 -5.366 1.00 0.00 C ATOM 787 CG PRO A 56 3.153 20.432 -5.050 1.00 0.00 C ATOM 788 CD PRO A 56 2.517 21.121 -3.843 1.00 0.00 C ATOM 0 HA PRO A 56 0.297 20.127 -5.905 1.00 0.00 H new ATOM 0 HB2 PRO A 56 2.530 18.404 -4.772 1.00 0.00 H new ATOM 0 HB3 PRO A 56 2.352 18.990 -6.414 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.165 20.098 -4.822 1.00 0.00 H new ATOM 0 HG3 PRO A 56 3.226 21.114 -5.897 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.869 20.695 -2.903 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.749 22.186 -3.817 1.00 0.00 H new ATOM 796 N GLU A 57 -0.381 18.756 -3.208 1.00 0.00 N ATOM 797 CA GLU A 57 -1.188 17.673 -2.558 1.00 0.00 C ATOM 798 C GLU A 57 -2.237 17.131 -3.540 1.00 0.00 C ATOM 799 O GLU A 57 -2.366 15.937 -3.719 1.00 0.00 O ATOM 800 CB GLU A 57 -1.889 18.227 -1.302 1.00 0.00 C ATOM 801 CG GLU A 57 -2.963 17.239 -0.816 1.00 0.00 C ATOM 802 CD GLU A 57 -3.288 17.511 0.655 1.00 0.00 C ATOM 803 OE1 GLU A 57 -4.044 18.432 0.915 1.00 0.00 O ATOM 804 OE2 GLU A 57 -2.770 16.793 1.494 1.00 0.00 O ATOM 0 H GLU A 57 -0.181 19.560 -2.613 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.520 16.861 -2.270 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.157 18.397 -0.513 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.346 19.191 -1.526 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.864 17.339 -1.422 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.610 16.215 -0.937 1.00 0.00 H new ATOM 811 N MET A 58 -2.989 17.987 -4.173 1.00 0.00 N ATOM 812 CA MET A 58 -4.022 17.488 -5.123 1.00 0.00 C ATOM 813 C MET A 58 -3.364 16.670 -6.242 1.00 0.00 C ATOM 814 O MET A 58 -3.829 15.600 -6.581 1.00 0.00 O ATOM 815 CB MET A 58 -4.768 18.671 -5.735 1.00 0.00 C ATOM 816 CG MET A 58 -5.849 18.168 -6.695 1.00 0.00 C ATOM 817 SD MET A 58 -7.015 19.511 -7.019 1.00 0.00 S ATOM 818 CE MET A 58 -5.805 20.706 -7.640 1.00 0.00 C ATOM 0 H MET A 58 -2.935 19.001 -4.076 1.00 0.00 H new ATOM 0 HA MET A 58 -4.721 16.852 -4.580 1.00 0.00 H new ATOM 0 HB2 MET A 58 -5.221 19.273 -4.947 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.069 19.316 -6.267 1.00 0.00 H new ATOM 0 HG2 MET A 58 -5.397 17.828 -7.627 1.00 0.00 H new ATOM 0 HG3 MET A 58 -6.369 17.313 -6.263 1.00 0.00 H new ATOM 0 HE1 MET A 58 -6.308 21.440 -8.269 1.00 0.00 H new ATOM 0 HE2 MET A 58 -5.330 21.213 -6.800 1.00 0.00 H new ATOM 0 HE3 MET A 58 -5.047 20.186 -8.225 1.00 0.00 H new ATOM 828 N LYS A 59 -2.303 17.157 -6.843 1.00 0.00 N ATOM 829 CA LYS A 59 -1.670 16.375 -7.950 1.00 0.00 C ATOM 830 C LYS A 59 -0.954 15.132 -7.417 1.00 0.00 C ATOM 831 O LYS A 59 -1.201 14.029 -7.862 1.00 0.00 O ATOM 832 CB LYS A 59 -0.647 17.227 -8.698 1.00 0.00 C ATOM 833 CG LYS A 59 -1.197 18.632 -8.947 1.00 0.00 C ATOM 834 CD LYS A 59 -0.123 19.488 -9.648 1.00 0.00 C ATOM 835 CE LYS A 59 -0.249 19.379 -11.176 1.00 0.00 C ATOM 836 NZ LYS A 59 -1.318 20.298 -11.664 1.00 0.00 N ATOM 0 H LYS A 59 -1.856 18.046 -6.619 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.473 16.073 -8.623 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.275 17.289 -8.120 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.397 16.755 -9.648 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.094 18.579 -9.564 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.486 19.094 -8.003 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.226 20.530 -9.344 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.869 19.161 -9.336 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.701 19.630 -11.647 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.483 18.352 -11.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.398 20.219 -12.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.225 20.039 -11.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.077 21.277 -11.409 1.00 0.00 H new ATOM 850 N ASP A 60 -0.046 15.299 -6.491 1.00 0.00 N ATOM 851 CA ASP A 60 0.697 14.115 -5.971 1.00 0.00 C ATOM 852 C ASP A 60 -0.313 13.086 -5.506 1.00 0.00 C ATOM 853 O ASP A 60 -0.081 11.902 -5.561 1.00 0.00 O ATOM 854 CB ASP A 60 1.590 14.501 -4.790 1.00 0.00 C ATOM 855 CG ASP A 60 2.267 13.249 -4.230 1.00 0.00 C ATOM 856 OD1 ASP A 60 1.657 12.589 -3.403 1.00 0.00 O ATOM 857 OD2 ASP A 60 3.387 12.975 -4.630 1.00 0.00 O ATOM 0 H ASP A 60 0.211 16.195 -6.076 1.00 0.00 H new ATOM 0 HA ASP A 60 1.329 13.716 -6.765 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.343 15.222 -5.110 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.996 14.984 -4.014 1.00 0.00 H new ATOM 862 N PHE A 61 -1.453 13.532 -5.078 1.00 0.00 N ATOM 863 CA PHE A 61 -2.490 12.582 -4.644 1.00 0.00 C ATOM 864 C PHE A 61 -2.917 11.835 -5.885 1.00 0.00 C ATOM 865 O PHE A 61 -2.923 10.626 -5.935 1.00 0.00 O ATOM 866 CB PHE A 61 -3.667 13.368 -4.047 1.00 0.00 C ATOM 867 CG PHE A 61 -4.961 12.577 -4.086 1.00 0.00 C ATOM 868 CD1 PHE A 61 -4.951 11.184 -3.955 1.00 0.00 C ATOM 869 CD2 PHE A 61 -6.176 13.254 -4.241 1.00 0.00 C ATOM 870 CE1 PHE A 61 -6.154 10.469 -3.972 1.00 0.00 C ATOM 871 CE2 PHE A 61 -7.378 12.545 -4.255 1.00 0.00 C ATOM 872 CZ PHE A 61 -7.369 11.149 -4.126 1.00 0.00 C ATOM 0 H PHE A 61 -1.708 14.517 -5.012 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.130 11.890 -3.883 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.437 13.636 -3.016 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.796 14.300 -4.597 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.014 10.660 -3.841 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.183 14.328 -4.350 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.146 9.394 -3.867 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -8.315 13.071 -4.365 1.00 0.00 H new ATOM 0 HZ PHE A 61 -8.298 10.598 -4.145 1.00 0.00 H new ATOM 882 N ARG A 62 -3.259 12.569 -6.891 1.00 0.00 N ATOM 883 CA ARG A 62 -3.691 11.946 -8.151 1.00 0.00 C ATOM 884 C ARG A 62 -2.543 11.145 -8.777 1.00 0.00 C ATOM 885 O ARG A 62 -2.635 9.945 -8.934 1.00 0.00 O ATOM 886 CB ARG A 62 -4.160 13.051 -9.104 1.00 0.00 C ATOM 887 CG ARG A 62 -5.355 13.819 -8.482 1.00 0.00 C ATOM 888 CD ARG A 62 -6.677 13.322 -9.084 1.00 0.00 C ATOM 889 NE ARG A 62 -7.814 14.049 -8.453 1.00 0.00 N ATOM 890 CZ ARG A 62 -9.021 13.544 -8.485 1.00 0.00 C ATOM 891 NH1 ARG A 62 -9.252 12.437 -9.141 1.00 0.00 N ATOM 892 NH2 ARG A 62 -10.003 14.154 -7.880 1.00 0.00 N ATOM 0 H ARG A 62 -3.257 13.589 -6.892 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.510 11.254 -7.958 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.340 13.740 -9.306 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.454 12.617 -10.060 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.364 13.678 -7.401 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.244 14.888 -8.664 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.682 13.483 -10.162 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.782 12.249 -8.922 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.651 14.945 -7.994 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.491 11.965 -9.629 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.193 12.045 -9.165 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.831 15.027 -7.381 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.943 13.758 -7.906 1.00 0.00 H new ATOM 906 N HIS A 63 -1.471 11.793 -9.152 1.00 0.00 N ATOM 907 CA HIS A 63 -0.339 11.055 -9.789 1.00 0.00 C ATOM 908 C HIS A 63 0.328 10.087 -8.795 1.00 0.00 C ATOM 909 O HIS A 63 1.016 9.171 -9.192 1.00 0.00 O ATOM 910 CB HIS A 63 0.691 12.073 -10.288 1.00 0.00 C ATOM 911 CG HIS A 63 1.687 11.429 -11.231 1.00 0.00 C ATOM 912 ND1 HIS A 63 2.875 12.062 -11.582 1.00 0.00 N ATOM 913 CD2 HIS A 63 1.693 10.230 -11.915 1.00 0.00 C ATOM 914 CE1 HIS A 63 3.531 11.255 -12.439 1.00 0.00 C ATOM 915 NE2 HIS A 63 2.857 10.128 -12.675 1.00 0.00 N ATOM 0 H HIS A 63 -1.330 12.798 -9.045 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.726 10.465 -10.620 1.00 0.00 H new ATOM 0 HB2 HIS A 63 0.181 12.891 -10.797 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.219 12.506 -9.438 1.00 0.00 H new ATOM 0 HD2 HIS A 63 0.914 9.484 -11.868 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.487 11.492 -12.882 1.00 0.00 H new ATOM 0 HE2 HIS A 63 3.134 9.357 -13.282 1.00 0.00 H new ATOM 923 N GLY A 64 0.164 10.287 -7.509 1.00 0.00 N ATOM 924 CA GLY A 64 0.839 9.377 -6.520 1.00 0.00 C ATOM 925 C GLY A 64 -0.013 8.132 -6.227 1.00 0.00 C ATOM 926 O GLY A 64 0.484 7.024 -6.260 1.00 0.00 O ATOM 0 H GLY A 64 -0.401 11.032 -7.101 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.810 9.071 -6.909 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.024 9.919 -5.593 1.00 0.00 H new ATOM 930 N PHE A 65 -1.276 8.286 -5.932 1.00 0.00 N ATOM 931 CA PHE A 65 -2.097 7.075 -5.639 1.00 0.00 C ATOM 932 C PHE A 65 -2.172 6.225 -6.908 1.00 0.00 C ATOM 933 O PHE A 65 -2.328 5.025 -6.850 1.00 0.00 O ATOM 934 CB PHE A 65 -3.505 7.491 -5.117 1.00 0.00 C ATOM 935 CG PHE A 65 -4.590 7.376 -6.179 1.00 0.00 C ATOM 936 CD1 PHE A 65 -5.011 6.113 -6.612 1.00 0.00 C ATOM 937 CD2 PHE A 65 -5.195 8.526 -6.704 1.00 0.00 C ATOM 938 CE1 PHE A 65 -6.027 6.000 -7.571 1.00 0.00 C ATOM 939 CE2 PHE A 65 -6.213 8.414 -7.656 1.00 0.00 C ATOM 940 CZ PHE A 65 -6.629 7.150 -8.094 1.00 0.00 C ATOM 0 H PHE A 65 -1.767 9.178 -5.882 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.638 6.479 -4.850 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.770 6.865 -4.265 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.464 8.519 -4.757 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.552 5.224 -6.206 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.874 9.502 -6.372 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.346 5.024 -7.907 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.679 9.303 -8.054 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.412 7.063 -8.833 1.00 0.00 H new ATOM 950 N ASP A 66 -2.034 6.831 -8.051 1.00 0.00 N ATOM 951 CA ASP A 66 -2.081 6.041 -9.312 1.00 0.00 C ATOM 952 C ASP A 66 -0.816 5.195 -9.437 1.00 0.00 C ATOM 953 O ASP A 66 -0.873 4.019 -9.735 1.00 0.00 O ATOM 954 CB ASP A 66 -2.176 6.985 -10.509 1.00 0.00 C ATOM 955 CG ASP A 66 -2.195 6.165 -11.798 1.00 0.00 C ATOM 956 OD1 ASP A 66 -2.698 5.053 -11.762 1.00 0.00 O ATOM 957 OD2 ASP A 66 -1.702 6.657 -12.797 1.00 0.00 O ATOM 0 H ASP A 66 -1.891 7.834 -8.168 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.955 5.390 -9.292 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.078 7.592 -10.437 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.329 7.672 -10.514 1.00 0.00 H new ATOM 962 N ILE A 67 0.325 5.779 -9.210 1.00 0.00 N ATOM 963 CA ILE A 67 1.591 4.999 -9.313 1.00 0.00 C ATOM 964 C ILE A 67 1.536 3.845 -8.310 1.00 0.00 C ATOM 965 O ILE A 67 1.808 2.712 -8.638 1.00 0.00 O ATOM 966 CB ILE A 67 2.771 5.930 -9.019 1.00 0.00 C ATOM 967 CG1 ILE A 67 2.855 6.950 -10.158 1.00 0.00 C ATOM 968 CG2 ILE A 67 4.098 5.131 -8.918 1.00 0.00 C ATOM 969 CD1 ILE A 67 3.801 8.080 -9.758 1.00 0.00 C ATOM 0 H ILE A 67 0.438 6.761 -8.958 1.00 0.00 H new ATOM 0 HA ILE A 67 1.716 4.587 -10.314 1.00 0.00 H new ATOM 0 HB ILE A 67 2.618 6.431 -8.063 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.212 6.467 -11.068 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.865 7.350 -10.377 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.920 5.816 -8.709 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.022 4.399 -8.114 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.285 4.616 -9.860 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.862 8.807 -10.568 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.425 8.569 -8.859 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.792 7.672 -9.561 1.00 0.00 H new ATOM 981 N LEU A 68 1.162 4.127 -7.096 1.00 0.00 N ATOM 982 CA LEU A 68 1.060 3.052 -6.069 1.00 0.00 C ATOM 983 C LEU A 68 0.038 2.018 -6.540 1.00 0.00 C ATOM 984 O LEU A 68 0.316 0.838 -6.600 1.00 0.00 O ATOM 985 CB LEU A 68 0.621 3.672 -4.734 1.00 0.00 C ATOM 986 CG LEU A 68 1.818 4.394 -4.086 1.00 0.00 C ATOM 987 CD1 LEU A 68 1.346 5.176 -2.858 1.00 0.00 C ATOM 988 CD2 LEU A 68 2.899 3.378 -3.657 1.00 0.00 C ATOM 0 H LEU A 68 0.921 5.062 -6.767 1.00 0.00 H new ATOM 0 HA LEU A 68 2.025 2.564 -5.929 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.196 4.375 -4.898 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.245 2.897 -4.066 1.00 0.00 H new ATOM 0 HG LEU A 68 2.246 5.078 -4.819 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.195 5.685 -2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.601 5.912 -3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.905 4.488 -2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.736 3.908 -3.202 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.476 2.679 -2.935 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.249 2.829 -4.531 1.00 0.00 H new ATOM 1000 N VAL A 69 -1.132 2.457 -6.895 1.00 0.00 N ATOM 1001 CA VAL A 69 -2.163 1.509 -7.388 1.00 0.00 C ATOM 1002 C VAL A 69 -1.641 0.849 -8.677 1.00 0.00 C ATOM 1003 O VAL A 69 -1.791 -0.336 -8.884 1.00 0.00 O ATOM 1004 CB VAL A 69 -3.469 2.295 -7.644 1.00 0.00 C ATOM 1005 CG1 VAL A 69 -4.374 1.550 -8.622 1.00 0.00 C ATOM 1006 CG2 VAL A 69 -4.220 2.482 -6.319 1.00 0.00 C ATOM 0 H VAL A 69 -1.420 3.435 -6.865 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.368 0.727 -6.657 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.207 3.262 -8.073 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.286 2.125 -8.784 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.854 1.419 -9.571 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.629 0.574 -8.210 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.141 3.036 -6.498 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.460 1.507 -5.896 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.593 3.036 -5.621 1.00 0.00 H new ATOM 1016 N GLY A 70 -1.020 1.614 -9.538 1.00 0.00 N ATOM 1017 CA GLY A 70 -0.482 1.042 -10.808 1.00 0.00 C ATOM 1018 C GLY A 70 0.610 0.006 -10.519 1.00 0.00 C ATOM 1019 O GLY A 70 0.854 -0.876 -11.311 1.00 0.00 O ATOM 0 H GLY A 70 -0.862 2.614 -9.415 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.290 0.577 -11.374 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.076 1.841 -11.429 1.00 0.00 H new ATOM 1023 N GLN A 71 1.284 0.109 -9.407 1.00 0.00 N ATOM 1024 CA GLN A 71 2.367 -0.875 -9.103 1.00 0.00 C ATOM 1025 C GLN A 71 1.782 -2.061 -8.360 1.00 0.00 C ATOM 1026 O GLN A 71 2.203 -3.189 -8.527 1.00 0.00 O ATOM 1027 CB GLN A 71 3.429 -0.187 -8.242 1.00 0.00 C ATOM 1028 CG GLN A 71 4.093 0.931 -9.058 1.00 0.00 C ATOM 1029 CD GLN A 71 4.722 1.960 -8.111 1.00 0.00 C ATOM 1030 OE1 GLN A 71 3.952 2.719 -7.375 1.00 0.00 O flip ATOM 1031 NE2 GLN A 71 5.928 2.084 -8.052 1.00 0.00 N flip ATOM 0 H GLN A 71 1.135 0.827 -8.698 1.00 0.00 H new ATOM 0 HA GLN A 71 2.821 -1.230 -10.028 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.973 0.225 -7.342 1.00 0.00 H new ATOM 0 HB3 GLN A 71 4.177 -0.911 -7.918 1.00 0.00 H new ATOM 0 HG2 GLN A 71 4.856 0.512 -9.713 1.00 0.00 H new ATOM 0 HG3 GLN A 71 3.355 1.415 -9.698 1.00 0.00 H new ATOM 0 HE21 GLN A 71 6.530 1.493 -8.625 1.00 0.00 H new ATOM 0 HE22 GLN A 71 6.339 2.779 -7.429 1.00 0.00 H new ATOM 1040 N ILE A 72 0.803 -1.818 -7.554 1.00 0.00 N ATOM 1041 CA ILE A 72 0.169 -2.926 -6.806 1.00 0.00 C ATOM 1042 C ILE A 72 -0.456 -3.895 -7.814 1.00 0.00 C ATOM 1043 O ILE A 72 -0.408 -5.095 -7.645 1.00 0.00 O ATOM 1044 CB ILE A 72 -0.890 -2.322 -5.877 1.00 0.00 C ATOM 1045 CG1 ILE A 72 -0.158 -1.599 -4.721 1.00 0.00 C ATOM 1046 CG2 ILE A 72 -1.846 -3.418 -5.332 1.00 0.00 C ATOM 1047 CD1 ILE A 72 -1.070 -0.550 -4.079 1.00 0.00 C ATOM 0 H ILE A 72 0.409 -0.894 -7.378 1.00 0.00 H new ATOM 0 HA ILE A 72 0.892 -3.476 -6.204 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.506 -1.612 -6.429 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.155 -2.325 -3.971 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.746 -1.121 -5.098 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.587 -2.961 -4.676 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.351 -3.907 -6.165 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.272 -4.156 -4.772 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.538 -0.052 -3.268 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.361 0.186 -4.828 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.961 -1.036 -3.683 1.00 0.00 H new ATOM 1059 N ASP A 73 -1.006 -3.380 -8.885 1.00 0.00 N ATOM 1060 CA ASP A 73 -1.590 -4.269 -9.929 1.00 0.00 C ATOM 1061 C ASP A 73 -0.446 -4.949 -10.701 1.00 0.00 C ATOM 1062 O ASP A 73 -0.476 -6.137 -10.964 1.00 0.00 O ATOM 1063 CB ASP A 73 -2.435 -3.434 -10.901 1.00 0.00 C ATOM 1064 CG ASP A 73 -3.299 -4.356 -11.767 1.00 0.00 C ATOM 1065 OD1 ASP A 73 -3.361 -5.536 -11.461 1.00 0.00 O ATOM 1066 OD2 ASP A 73 -3.882 -3.868 -12.721 1.00 0.00 O ATOM 0 H ASP A 73 -1.075 -2.381 -9.079 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.222 -5.023 -9.460 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.069 -2.744 -10.344 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.785 -2.830 -11.534 1.00 0.00 H new ATOM 1071 N ASP A 74 0.567 -4.189 -11.070 1.00 0.00 N ATOM 1072 CA ASP A 74 1.723 -4.771 -11.833 1.00 0.00 C ATOM 1073 C ASP A 74 2.463 -5.803 -10.988 1.00 0.00 C ATOM 1074 O ASP A 74 2.848 -6.854 -11.465 1.00 0.00 O ATOM 1075 CB ASP A 74 2.718 -3.667 -12.210 1.00 0.00 C ATOM 1076 CG ASP A 74 1.992 -2.539 -12.946 1.00 0.00 C ATOM 1077 OD1 ASP A 74 0.829 -2.717 -13.262 1.00 0.00 O ATOM 1078 OD2 ASP A 74 2.616 -1.517 -13.182 1.00 0.00 O ATOM 0 H ASP A 74 0.641 -3.191 -10.874 1.00 0.00 H new ATOM 0 HA ASP A 74 1.322 -5.244 -12.729 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.199 -3.277 -11.313 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.506 -4.076 -12.842 1.00 0.00 H new ATOM 1083 N ALA A 75 2.696 -5.503 -9.746 1.00 0.00 N ATOM 1084 CA ALA A 75 3.441 -6.448 -8.881 1.00 0.00 C ATOM 1085 C ALA A 75 2.587 -7.682 -8.587 1.00 0.00 C ATOM 1086 O ALA A 75 3.092 -8.770 -8.407 1.00 0.00 O ATOM 1087 CB ALA A 75 3.796 -5.760 -7.561 1.00 0.00 C ATOM 0 H ALA A 75 2.401 -4.639 -9.291 1.00 0.00 H new ATOM 0 HA ALA A 75 4.350 -6.755 -9.398 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.344 -6.455 -6.924 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.415 -4.886 -7.761 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.882 -5.449 -7.056 1.00 0.00 H new ATOM 1093 N LEU A 76 1.300 -7.517 -8.506 1.00 0.00 N ATOM 1094 CA LEU A 76 0.424 -8.677 -8.182 1.00 0.00 C ATOM 1095 C LEU A 76 0.373 -9.650 -9.363 1.00 0.00 C ATOM 1096 O LEU A 76 0.579 -10.838 -9.200 1.00 0.00 O ATOM 1097 CB LEU A 76 -0.981 -8.152 -7.841 1.00 0.00 C ATOM 1098 CG LEU A 76 -1.900 -9.295 -7.326 1.00 0.00 C ATOM 1099 CD1 LEU A 76 -2.829 -8.762 -6.223 1.00 0.00 C ATOM 1100 CD2 LEU A 76 -2.764 -9.841 -8.473 1.00 0.00 C ATOM 0 H LEU A 76 0.815 -6.631 -8.650 1.00 0.00 H new ATOM 0 HA LEU A 76 0.825 -9.218 -7.325 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.906 -7.373 -7.083 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.426 -7.695 -8.725 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.269 -10.091 -6.931 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.470 -9.568 -5.867 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.230 -8.382 -5.395 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.446 -7.958 -6.624 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.403 -10.641 -8.098 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.384 -9.040 -8.875 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.119 -10.230 -9.261 1.00 0.00 H new ATOM 1112 N LYS A 77 0.120 -9.172 -10.548 1.00 0.00 N ATOM 1113 CA LYS A 77 0.085 -10.105 -11.713 1.00 0.00 C ATOM 1114 C LYS A 77 1.437 -10.798 -11.800 1.00 0.00 C ATOM 1115 O LYS A 77 1.538 -11.965 -12.127 1.00 0.00 O ATOM 1116 CB LYS A 77 -0.177 -9.337 -13.018 1.00 0.00 C ATOM 1117 CG LYS A 77 0.883 -8.231 -13.206 1.00 0.00 C ATOM 1118 CD LYS A 77 0.677 -7.479 -14.525 1.00 0.00 C ATOM 1119 CE LYS A 77 0.954 -8.397 -15.725 1.00 0.00 C ATOM 1120 NZ LYS A 77 -0.252 -9.221 -16.019 1.00 0.00 N ATOM 0 H LYS A 77 -0.062 -8.191 -10.762 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.718 -10.830 -11.577 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.151 -10.024 -13.864 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.174 -8.896 -12.996 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.831 -7.530 -12.373 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.879 -8.673 -13.189 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.344 -7.102 -14.578 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.339 -6.614 -14.563 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.219 -7.800 -16.598 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.805 -9.044 -15.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.058 -10.216 -15.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.052 -8.882 -15.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.489 -9.141 -17.028 1.00 0.00 H new ATOM 1134 N LEU A 78 2.483 -10.084 -11.502 1.00 0.00 N ATOM 1135 CA LEU A 78 3.831 -10.690 -11.551 1.00 0.00 C ATOM 1136 C LEU A 78 3.853 -11.867 -10.574 1.00 0.00 C ATOM 1137 O LEU A 78 4.233 -12.957 -10.916 1.00 0.00 O ATOM 1138 CB LEU A 78 4.876 -9.631 -11.154 1.00 0.00 C ATOM 1139 CG LEU A 78 6.210 -9.884 -11.886 1.00 0.00 C ATOM 1140 CD1 LEU A 78 6.667 -11.333 -11.646 1.00 0.00 C ATOM 1141 CD2 LEU A 78 6.062 -9.618 -13.412 1.00 0.00 C ATOM 0 H LEU A 78 2.458 -9.102 -11.226 1.00 0.00 H new ATOM 0 HA LEU A 78 4.067 -11.044 -12.554 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.504 -8.636 -11.398 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.036 -9.656 -10.076 1.00 0.00 H new ATOM 0 HG LEU A 78 6.959 -9.198 -11.490 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.610 -11.508 -12.165 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.805 -11.499 -10.578 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.911 -12.021 -12.026 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.015 -9.803 -13.908 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.303 -10.283 -13.825 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.764 -8.582 -13.574 1.00 0.00 H new ATOM 1153 N ALA A 79 3.421 -11.656 -9.368 1.00 0.00 N ATOM 1154 CA ALA A 79 3.410 -12.778 -8.390 1.00 0.00 C ATOM 1155 C ALA A 79 2.564 -13.921 -8.960 1.00 0.00 C ATOM 1156 O ALA A 79 3.012 -15.038 -9.074 1.00 0.00 O ATOM 1157 CB ALA A 79 2.804 -12.293 -7.065 1.00 0.00 C ATOM 0 H ALA A 79 3.077 -10.763 -9.016 1.00 0.00 H new ATOM 0 HA ALA A 79 4.426 -13.128 -8.210 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.795 -13.113 -6.347 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.402 -11.472 -6.670 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.784 -11.949 -7.236 1.00 0.00 H new ATOM 1163 N ASN A 80 1.344 -13.641 -9.318 1.00 0.00 N ATOM 1164 CA ASN A 80 0.471 -14.700 -9.893 1.00 0.00 C ATOM 1165 C ASN A 80 1.111 -15.253 -11.172 1.00 0.00 C ATOM 1166 O ASN A 80 1.453 -16.417 -11.262 1.00 0.00 O ATOM 1167 CB ASN A 80 -0.898 -14.103 -10.218 1.00 0.00 C ATOM 1168 CG ASN A 80 -1.718 -13.977 -8.938 1.00 0.00 C ATOM 1169 OD1 ASN A 80 -1.668 -14.827 -8.071 1.00 0.00 O ATOM 1170 ND2 ASN A 80 -2.472 -12.938 -8.796 1.00 0.00 N ATOM 0 H ASN A 80 0.912 -12.721 -9.237 1.00 0.00 H new ATOM 0 HA ASN A 80 0.353 -15.509 -9.172 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -0.778 -13.124 -10.683 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.421 -14.735 -10.936 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.032 -12.826 -7.951 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -2.508 -12.230 -9.529 1.00 0.00 H new ATOM 1177 N GLU A 81 1.256 -14.418 -12.165 1.00 0.00 N ATOM 1178 CA GLU A 81 1.859 -14.858 -13.456 1.00 0.00 C ATOM 1179 C GLU A 81 3.370 -15.070 -13.298 1.00 0.00 C ATOM 1180 O GLU A 81 4.084 -15.229 -14.269 1.00 0.00 O ATOM 1181 CB GLU A 81 1.606 -13.771 -14.509 1.00 0.00 C ATOM 1182 CG GLU A 81 1.695 -14.373 -15.914 1.00 0.00 C ATOM 1183 CD GLU A 81 0.406 -15.137 -16.216 1.00 0.00 C ATOM 1184 OE1 GLU A 81 -0.588 -14.491 -16.498 1.00 0.00 O ATOM 1185 OE2 GLU A 81 0.434 -16.354 -16.149 1.00 0.00 O ATOM 0 H GLU A 81 0.979 -13.437 -12.136 1.00 0.00 H new ATOM 0 HA GLU A 81 1.406 -15.801 -13.764 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.622 -13.327 -14.356 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.338 -12.970 -14.400 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.846 -13.585 -16.651 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.553 -15.042 -15.982 1.00 0.00 H new ATOM 1192 N GLY A 82 3.875 -15.057 -12.093 1.00 0.00 N ATOM 1193 CA GLY A 82 5.348 -15.239 -11.898 1.00 0.00 C ATOM 1194 C GLY A 82 5.622 -16.107 -10.676 1.00 0.00 C ATOM 1195 O GLY A 82 4.765 -16.346 -9.853 1.00 0.00 O ATOM 0 H GLY A 82 3.336 -14.929 -11.237 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.784 -15.701 -12.784 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.827 -14.268 -11.776 1.00 0.00 H new ATOM 1199 N LYS A 83 6.831 -16.567 -10.556 1.00 0.00 N ATOM 1200 CA LYS A 83 7.210 -17.405 -9.387 1.00 0.00 C ATOM 1201 C LYS A 83 7.356 -16.477 -8.175 1.00 0.00 C ATOM 1202 O LYS A 83 7.077 -15.303 -8.268 1.00 0.00 O ATOM 1203 CB LYS A 83 8.553 -18.102 -9.685 1.00 0.00 C ATOM 1204 CG LYS A 83 8.687 -19.387 -8.860 1.00 0.00 C ATOM 1205 CD LYS A 83 9.849 -20.220 -9.385 1.00 0.00 C ATOM 1206 CE LYS A 83 9.813 -21.597 -8.732 1.00 0.00 C ATOM 1207 NZ LYS A 83 10.954 -22.404 -9.243 1.00 0.00 N ATOM 0 H LYS A 83 7.582 -16.397 -11.224 1.00 0.00 H new ATOM 0 HA LYS A 83 6.455 -18.165 -9.187 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.620 -18.337 -10.747 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.378 -17.428 -9.455 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.849 -19.141 -7.811 1.00 0.00 H new ATOM 0 HG3 LYS A 83 7.763 -19.962 -8.913 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.783 -20.316 -10.469 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.795 -19.725 -9.166 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.875 -21.502 -7.648 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.869 -22.095 -8.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.938 -23.346 -8.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.875 -22.503 -10.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.848 -21.928 -9.009 1.00 0.00 H new ATOM 1221 N VAL A 84 7.797 -16.974 -7.046 1.00 0.00 N ATOM 1222 CA VAL A 84 7.956 -16.075 -5.865 1.00 0.00 C ATOM 1223 C VAL A 84 9.267 -15.284 -6.022 1.00 0.00 C ATOM 1224 O VAL A 84 9.349 -14.126 -5.664 1.00 0.00 O ATOM 1225 CB VAL A 84 8.042 -16.892 -4.563 1.00 0.00 C ATOM 1226 CG1 VAL A 84 7.875 -15.951 -3.360 1.00 0.00 C ATOM 1227 CG2 VAL A 84 6.952 -17.969 -4.525 1.00 0.00 C ATOM 0 H VAL A 84 8.050 -17.950 -6.893 1.00 0.00 H new ATOM 0 HA VAL A 84 7.094 -15.409 -5.814 1.00 0.00 H new ATOM 0 HB VAL A 84 9.015 -17.381 -4.521 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.935 -16.527 -2.436 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.666 -15.201 -3.372 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.905 -15.457 -3.417 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.031 -18.534 -3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.971 -17.496 -4.579 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.077 -18.643 -5.372 1.00 0.00 H new ATOM 1237 N LYS A 85 10.292 -15.910 -6.553 1.00 0.00 N ATOM 1238 CA LYS A 85 11.600 -15.203 -6.733 1.00 0.00 C ATOM 1239 C LYS A 85 11.402 -14.017 -7.683 1.00 0.00 C ATOM 1240 O LYS A 85 11.765 -12.901 -7.378 1.00 0.00 O ATOM 1241 CB LYS A 85 12.651 -16.176 -7.324 1.00 0.00 C ATOM 1242 CG LYS A 85 13.418 -16.893 -6.205 1.00 0.00 C ATOM 1243 CD LYS A 85 12.503 -17.910 -5.531 1.00 0.00 C ATOM 1244 CE LYS A 85 13.272 -18.625 -4.425 1.00 0.00 C ATOM 1245 NZ LYS A 85 14.561 -19.141 -4.967 1.00 0.00 N ATOM 0 H LYS A 85 10.278 -16.880 -6.869 1.00 0.00 H new ATOM 0 HA LYS A 85 11.956 -14.845 -5.767 1.00 0.00 H new ATOM 0 HB2 LYS A 85 12.157 -16.910 -7.961 1.00 0.00 H new ATOM 0 HB3 LYS A 85 13.349 -15.626 -7.955 1.00 0.00 H new ATOM 0 HG2 LYS A 85 14.296 -17.393 -6.614 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.776 -16.169 -5.473 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.628 -17.410 -5.116 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.141 -18.632 -6.263 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.461 -17.940 -3.598 1.00 0.00 H new ATOM 0 HE3 LYS A 85 12.677 -19.448 -4.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.896 -19.929 -4.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.419 -19.475 -5.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 15.269 -18.380 -4.962 1.00 0.00 H new ATOM 1259 N GLU A 86 10.826 -14.237 -8.830 1.00 0.00 N ATOM 1260 CA GLU A 86 10.614 -13.102 -9.769 1.00 0.00 C ATOM 1261 C GLU A 86 9.754 -12.045 -9.088 1.00 0.00 C ATOM 1262 O GLU A 86 9.931 -10.860 -9.285 1.00 0.00 O ATOM 1263 CB GLU A 86 9.880 -13.591 -11.014 1.00 0.00 C ATOM 1264 CG GLU A 86 10.601 -14.805 -11.582 1.00 0.00 C ATOM 1265 CD GLU A 86 12.017 -14.391 -11.981 1.00 0.00 C ATOM 1266 OE1 GLU A 86 12.193 -13.240 -12.346 1.00 0.00 O ATOM 1267 OE2 GLU A 86 12.897 -15.231 -11.916 1.00 0.00 O ATOM 0 H GLU A 86 10.495 -15.145 -9.156 1.00 0.00 H new ATOM 0 HA GLU A 86 11.581 -12.685 -10.050 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.851 -13.849 -10.765 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.838 -12.797 -11.760 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.635 -15.605 -10.842 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.063 -15.194 -12.447 1.00 0.00 H new ATOM 1274 N ALA A 87 8.810 -12.471 -8.304 1.00 0.00 N ATOM 1275 CA ALA A 87 7.917 -11.496 -7.622 1.00 0.00 C ATOM 1276 C ALA A 87 8.707 -10.687 -6.582 1.00 0.00 C ATOM 1277 O ALA A 87 8.600 -9.477 -6.515 1.00 0.00 O ATOM 1278 CB ALA A 87 6.769 -12.259 -6.945 1.00 0.00 C ATOM 0 H ALA A 87 8.616 -13.452 -8.104 1.00 0.00 H new ATOM 0 HA ALA A 87 7.509 -10.800 -8.355 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.109 -11.552 -6.442 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.205 -12.810 -7.697 1.00 0.00 H new ATOM 0 HB3 ALA A 87 7.177 -12.957 -6.214 1.00 0.00 H new ATOM 1284 N GLN A 88 9.490 -11.347 -5.767 1.00 0.00 N ATOM 1285 CA GLN A 88 10.276 -10.614 -4.734 1.00 0.00 C ATOM 1286 C GLN A 88 11.209 -9.629 -5.443 1.00 0.00 C ATOM 1287 O GLN A 88 11.495 -8.556 -4.944 1.00 0.00 O ATOM 1288 CB GLN A 88 11.035 -11.635 -3.854 1.00 0.00 C ATOM 1289 CG GLN A 88 12.474 -11.856 -4.336 1.00 0.00 C ATOM 1290 CD GLN A 88 13.381 -10.696 -3.910 1.00 0.00 C ATOM 1291 OE1 GLN A 88 13.058 -9.949 -2.886 1.00 0.00 O flip ATOM 1292 NE2 GLN A 88 14.402 -10.461 -4.525 1.00 0.00 N flip ATOM 0 H GLN A 88 9.618 -12.359 -5.773 1.00 0.00 H new ATOM 0 HA GLN A 88 9.629 -10.040 -4.071 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.049 -11.284 -2.822 1.00 0.00 H new ATOM 0 HB3 GLN A 88 10.501 -12.585 -3.860 1.00 0.00 H new ATOM 0 HG2 GLN A 88 12.858 -12.791 -3.928 1.00 0.00 H new ATOM 0 HG3 GLN A 88 12.487 -11.952 -5.422 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.660 -11.039 -5.325 1.00 0.00 H new ATOM 0 HE22 GLN A 88 15.001 -9.685 -4.242 1.00 0.00 H new ATOM 1301 N ALA A 89 11.652 -9.971 -6.624 1.00 0.00 N ATOM 1302 CA ALA A 89 12.528 -9.039 -7.382 1.00 0.00 C ATOM 1303 C ALA A 89 11.762 -7.731 -7.570 1.00 0.00 C ATOM 1304 O ALA A 89 12.256 -6.656 -7.290 1.00 0.00 O ATOM 1305 CB ALA A 89 12.856 -9.643 -8.759 1.00 0.00 C ATOM 0 H ALA A 89 11.444 -10.853 -7.093 1.00 0.00 H new ATOM 0 HA ALA A 89 13.459 -8.866 -6.843 1.00 0.00 H new ATOM 0 HB1 ALA A 89 13.498 -8.958 -9.313 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.370 -10.595 -8.626 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.932 -9.804 -9.315 1.00 0.00 H new ATOM 1311 N ALA A 90 10.551 -7.825 -8.039 1.00 0.00 N ATOM 1312 CA ALA A 90 9.730 -6.608 -8.248 1.00 0.00 C ATOM 1313 C ALA A 90 9.558 -5.870 -6.923 1.00 0.00 C ATOM 1314 O ALA A 90 9.549 -4.657 -6.875 1.00 0.00 O ATOM 1315 CB ALA A 90 8.355 -7.002 -8.785 1.00 0.00 C ATOM 0 H ALA A 90 10.093 -8.702 -8.288 1.00 0.00 H new ATOM 0 HA ALA A 90 10.231 -5.958 -8.966 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.754 -6.106 -8.938 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.471 -7.527 -9.733 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.858 -7.655 -8.068 1.00 0.00 H new ATOM 1321 N ALA A 91 9.405 -6.584 -5.844 1.00 0.00 N ATOM 1322 CA ALA A 91 9.218 -5.902 -4.538 1.00 0.00 C ATOM 1323 C ALA A 91 10.482 -5.118 -4.168 1.00 0.00 C ATOM 1324 O ALA A 91 10.409 -4.012 -3.680 1.00 0.00 O ATOM 1325 CB ALA A 91 8.920 -6.939 -3.451 1.00 0.00 C ATOM 0 H ALA A 91 9.401 -7.603 -5.811 1.00 0.00 H new ATOM 0 HA ALA A 91 8.380 -5.209 -4.618 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.784 -6.435 -2.494 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.011 -7.484 -3.707 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.753 -7.638 -3.377 1.00 0.00 H new ATOM 1331 N GLU A 92 11.637 -5.690 -4.383 1.00 0.00 N ATOM 1332 CA GLU A 92 12.910 -4.991 -4.019 1.00 0.00 C ATOM 1333 C GLU A 92 13.020 -3.659 -4.755 1.00 0.00 C ATOM 1334 O GLU A 92 13.245 -2.631 -4.147 1.00 0.00 O ATOM 1335 CB GLU A 92 14.101 -5.886 -4.381 1.00 0.00 C ATOM 1336 CG GLU A 92 13.944 -7.276 -3.713 1.00 0.00 C ATOM 1337 CD GLU A 92 14.841 -7.381 -2.473 1.00 0.00 C ATOM 1338 OE1 GLU A 92 15.015 -6.377 -1.801 1.00 0.00 O ATOM 1339 OE2 GLU A 92 15.336 -8.467 -2.214 1.00 0.00 O ATOM 0 H GLU A 92 11.757 -6.615 -4.797 1.00 0.00 H new ATOM 0 HA GLU A 92 12.911 -4.793 -2.947 1.00 0.00 H new ATOM 0 HB2 GLU A 92 14.165 -5.999 -5.463 1.00 0.00 H new ATOM 0 HB3 GLU A 92 15.030 -5.419 -4.053 1.00 0.00 H new ATOM 0 HG2 GLU A 92 12.903 -7.435 -3.431 1.00 0.00 H new ATOM 0 HG3 GLU A 92 14.204 -8.059 -4.425 1.00 0.00 H new ATOM 1346 N GLN A 93 12.868 -3.652 -6.050 1.00 0.00 N ATOM 1347 CA GLN A 93 12.974 -2.356 -6.781 1.00 0.00 C ATOM 1348 C GLN A 93 11.885 -1.404 -6.272 1.00 0.00 C ATOM 1349 O GLN A 93 12.083 -0.205 -6.191 1.00 0.00 O ATOM 1350 CB GLN A 93 12.817 -2.582 -8.288 1.00 0.00 C ATOM 1351 CG GLN A 93 11.639 -3.517 -8.569 1.00 0.00 C ATOM 1352 CD GLN A 93 11.499 -3.693 -10.082 1.00 0.00 C ATOM 1353 OE1 GLN A 93 10.755 -2.979 -10.724 1.00 0.00 O ATOM 1354 NE2 GLN A 93 12.190 -4.625 -10.681 1.00 0.00 N ATOM 0 H GLN A 93 12.678 -4.472 -6.627 1.00 0.00 H new ATOM 0 HA GLN A 93 13.955 -1.917 -6.601 1.00 0.00 H new ATOM 0 HB2 GLN A 93 12.659 -1.628 -8.790 1.00 0.00 H new ATOM 0 HB3 GLN A 93 13.733 -3.009 -8.695 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.801 -4.483 -8.090 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.721 -3.104 -8.151 1.00 0.00 H new ATOM 0 HE21 GLN A 93 12.814 -5.224 -10.141 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.105 -4.754 -11.689 1.00 0.00 H new ATOM 1363 N LEU A 94 10.741 -1.926 -5.914 1.00 0.00 N ATOM 1364 CA LEU A 94 9.652 -1.053 -5.396 1.00 0.00 C ATOM 1365 C LEU A 94 9.916 -0.724 -3.922 1.00 0.00 C ATOM 1366 O LEU A 94 9.525 0.318 -3.435 1.00 0.00 O ATOM 1367 CB LEU A 94 8.303 -1.771 -5.542 1.00 0.00 C ATOM 1368 CG LEU A 94 7.827 -1.717 -7.009 1.00 0.00 C ATOM 1369 CD1 LEU A 94 6.842 -2.860 -7.279 1.00 0.00 C ATOM 1370 CD2 LEU A 94 7.120 -0.383 -7.288 1.00 0.00 C ATOM 0 H LEU A 94 10.516 -2.920 -5.959 1.00 0.00 H new ATOM 0 HA LEU A 94 9.624 -0.126 -5.968 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.398 -2.808 -5.221 1.00 0.00 H new ATOM 0 HB3 LEU A 94 7.562 -1.303 -4.894 1.00 0.00 H new ATOM 0 HG LEU A 94 8.697 -1.814 -7.658 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.510 -2.816 -8.316 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.334 -3.815 -7.095 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.981 -2.762 -6.618 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.789 -0.357 -8.326 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.257 -0.284 -6.629 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.811 0.440 -7.107 1.00 0.00 H new ATOM 1382 N LYS A 95 10.587 -1.592 -3.206 1.00 0.00 N ATOM 1383 CA LYS A 95 10.870 -1.291 -1.770 1.00 0.00 C ATOM 1384 C LYS A 95 11.900 -0.160 -1.720 1.00 0.00 C ATOM 1385 O LYS A 95 11.842 0.712 -0.878 1.00 0.00 O ATOM 1386 CB LYS A 95 11.427 -2.547 -1.062 1.00 0.00 C ATOM 1387 CG LYS A 95 10.998 -2.585 0.415 1.00 0.00 C ATOM 1388 CD LYS A 95 11.367 -1.270 1.118 1.00 0.00 C ATOM 1389 CE LYS A 95 11.391 -1.474 2.643 1.00 0.00 C ATOM 1390 NZ LYS A 95 12.303 -2.604 3.001 1.00 0.00 N ATOM 0 H LYS A 95 10.946 -2.483 -3.548 1.00 0.00 H new ATOM 0 HA LYS A 95 9.954 -0.993 -1.260 1.00 0.00 H new ATOM 0 HB2 LYS A 95 11.071 -3.443 -1.571 1.00 0.00 H new ATOM 0 HB3 LYS A 95 12.515 -2.554 -1.128 1.00 0.00 H new ATOM 0 HG2 LYS A 95 9.923 -2.751 0.483 1.00 0.00 H new ATOM 0 HG3 LYS A 95 11.482 -3.422 0.919 1.00 0.00 H new ATOM 0 HD2 LYS A 95 12.342 -0.926 0.774 1.00 0.00 H new ATOM 0 HD3 LYS A 95 10.646 -0.495 0.858 1.00 0.00 H new ATOM 0 HE2 LYS A 95 11.724 -0.559 3.134 1.00 0.00 H new ATOM 0 HE3 LYS A 95 10.384 -1.682 3.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 12.840 -2.359 3.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 11.741 -3.461 3.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 12.964 -2.779 2.217 1.00 0.00 H new ATOM 1404 N THR A 96 12.835 -0.167 -2.626 1.00 0.00 N ATOM 1405 CA THR A 96 13.854 0.901 -2.649 1.00 0.00 C ATOM 1406 C THR A 96 13.176 2.196 -3.102 1.00 0.00 C ATOM 1407 O THR A 96 13.445 3.263 -2.584 1.00 0.00 O ATOM 1408 CB THR A 96 14.961 0.495 -3.626 1.00 0.00 C ATOM 1409 OG1 THR A 96 15.227 -0.891 -3.465 1.00 0.00 O ATOM 1410 CG2 THR A 96 16.233 1.292 -3.339 1.00 0.00 C ATOM 0 H THR A 96 12.933 -0.874 -3.354 1.00 0.00 H new ATOM 0 HA THR A 96 14.294 1.054 -1.664 1.00 0.00 H new ATOM 0 HB THR A 96 14.639 0.701 -4.647 1.00 0.00 H new ATOM 0 HG1 THR A 96 14.512 -1.412 -3.886 1.00 0.00 H new ATOM 0 HG21 THR A 96 17.014 0.996 -4.039 1.00 0.00 H new ATOM 0 HG22 THR A 96 16.029 2.357 -3.453 1.00 0.00 H new ATOM 0 HG23 THR A 96 16.565 1.093 -2.320 1.00 0.00 H new ATOM 1418 N THR A 97 12.272 2.105 -4.045 1.00 0.00 N ATOM 1419 CA THR A 97 11.551 3.308 -4.510 1.00 0.00 C ATOM 1420 C THR A 97 10.250 3.410 -3.709 1.00 0.00 C ATOM 1421 O THR A 97 10.202 3.995 -2.645 1.00 0.00 O ATOM 1422 CB THR A 97 11.250 3.143 -6.004 1.00 0.00 C ATOM 1423 OG1 THR A 97 12.455 3.274 -6.747 1.00 0.00 O ATOM 1424 CG2 THR A 97 10.257 4.207 -6.468 1.00 0.00 C ATOM 0 H THR A 97 12.007 1.237 -4.511 1.00 0.00 H new ATOM 0 HA THR A 97 12.141 4.213 -4.365 1.00 0.00 H new ATOM 0 HB THR A 97 10.816 2.156 -6.167 1.00 0.00 H new ATOM 0 HG1 THR A 97 12.264 3.167 -7.702 1.00 0.00 H new ATOM 0 HG21 THR A 97 10.054 4.076 -7.531 1.00 0.00 H new ATOM 0 HG22 THR A 97 9.328 4.108 -5.906 1.00 0.00 H new ATOM 0 HG23 THR A 97 10.679 5.197 -6.299 1.00 0.00 H new ATOM 1432 N GLY A 98 9.200 2.822 -4.209 1.00 0.00 N ATOM 1433 CA GLY A 98 7.897 2.859 -3.489 1.00 0.00 C ATOM 1434 C GLY A 98 7.554 4.303 -3.121 1.00 0.00 C ATOM 1435 O GLY A 98 6.638 4.557 -2.363 1.00 0.00 O ATOM 0 H GLY A 98 9.189 2.313 -5.093 1.00 0.00 H new ATOM 0 HA2 GLY A 98 7.112 2.437 -4.116 1.00 0.00 H new ATOM 0 HA3 GLY A 98 7.950 2.247 -2.589 1.00 0.00 H new