USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 881 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 46 GLN : amide:sc= -3.55! C(o=-11!,f=-11!) USER MOD Set 1.2: A 114 GLN : amide:sc= -7.35! C(o=-11!,f=-18!) USER MOD Set 2.1: A 36 GLN :FLIP amide:sc= -0.227 F(o=-1.4,f=-0.35) USER MOD Set 2.2: A 39 GLN : amide:sc= -0.119 K(o=-0.35,f=-1.9!) USER MOD Single : A 18 LYS NZ :NH3+ 157:sc= -0.112 (180deg=-0.757) USER MOD Single : A 21 GLN : amide:sc= -7.86! C(o=-7.9!,f=-8.7!) USER MOD Single : A 24 LYS NZ :NH3+ 154:sc= -0.193 (180deg=-0.989) USER MOD Single : A 25 GLN :FLIP amide:sc= 0 F(o=-0.73,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -6.16! C(o=-6.2!,f=-8!) USER MOD Single : A 34 SER OG : rot 180:sc= -0.25 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 47 GLN : amide:sc= -0.396 X(o=-0.4,f=-0.084) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.404 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0342 K(o=-0.034,f=-1.8!) USER MOD Single : A 60 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.1) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 66:sc= -0.61 USER MOD Single : A 64 SER OG : rot -18:sc= 0.644 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -6.73! C(o=-6.7!,f=-18!) USER MOD Single : A 72 HIS : no HD1:sc= -1.76 X(o=-1.8,f=-2!) USER MOD Single : A 73 GLN : amide:sc= -2.69! C(o=-2.7!,f=-2.5!) USER MOD Single : A 74 GLN :FLIP amide:sc= -2.99! C(o=-9.4!,f=-3!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.0132 USER MOD Single : A 89 SER OG : rot -42:sc= 0.432 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.64 X(o=-0.64,f=-0.68) USER MOD Single : A 100 GLN : amide:sc= -0.905 K(o=-0.9,f=-1.7) USER MOD Single : A 102 ASN :FLIP amide:sc= -3.72! C(o=-7.4!,f=-3.7!) USER MOD Single : A 103 ASN :FLIP amide:sc= -1.99 F(o=-3.2,f=-2) USER MOD Single : A 105 GLN :FLIP amide:sc= -0.0254 F(o=-0.91,f=-0.025) USER MOD Single : A 106 GLN : amide:sc= -2.27! C(o=-2.3!,f=-3.3!) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 113 TYR OH : rot 28:sc= 0.855 USER MOD Single : A 115 GLN : amide:sc=-0.00944 K(o=-0.0094,f=-2.2!) USER MOD Single : A 127 SER OG : rot 72:sc= 1.17 USER MOD Single : A 129 LYS NZ :NH3+ -127:sc= -2.46 (180deg=-5.26!) USER MOD ----------------------------------------------------------------- ATOM 270 N LYS A 18 -2.186 16.319 -2.999 1.00 0.00 N ATOM 271 CA LYS A 18 -3.512 16.695 -3.569 1.00 0.00 C ATOM 272 C LYS A 18 -3.934 15.691 -4.640 1.00 0.00 C ATOM 273 O LYS A 18 -5.033 15.755 -5.159 1.00 0.00 O ATOM 274 CB LYS A 18 -3.419 18.091 -4.191 1.00 0.00 C ATOM 275 CG LYS A 18 -2.224 18.150 -5.146 1.00 0.00 C ATOM 276 CD LYS A 18 -2.193 19.511 -5.844 1.00 0.00 C ATOM 277 CE LYS A 18 -1.021 19.558 -6.827 1.00 0.00 C ATOM 278 NZ LYS A 18 -1.180 18.479 -7.843 1.00 0.00 N ATOM 0 HA LYS A 18 -4.254 16.692 -2.770 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.339 18.322 -4.729 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.309 18.842 -3.409 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.297 17.991 -4.595 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.296 17.352 -5.885 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.131 19.681 -6.373 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.094 20.307 -5.106 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.983 20.531 -7.317 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.079 19.433 -6.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.647 18.728 -8.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.817 17.584 -7.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.187 18.371 -8.080 1.00 0.00 H new ATOM 292 N ASP A 19 -3.093 14.736 -4.948 1.00 0.00 N ATOM 293 CA ASP A 19 -3.478 13.708 -5.966 1.00 0.00 C ATOM 294 C ASP A 19 -4.059 12.513 -5.219 1.00 0.00 C ATOM 295 O ASP A 19 -5.006 11.894 -5.666 1.00 0.00 O ATOM 296 CB ASP A 19 -2.266 13.295 -6.804 1.00 0.00 C ATOM 297 CG ASP A 19 -2.686 12.239 -7.827 1.00 0.00 C ATOM 298 OD1 ASP A 19 -3.533 12.544 -8.651 1.00 0.00 O ATOM 299 OD2 ASP A 19 -2.154 11.142 -7.771 1.00 0.00 O ATOM 0 H ASP A 19 -2.164 14.623 -4.543 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.218 14.115 -6.655 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.850 14.164 -7.313 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.482 12.899 -6.158 1.00 0.00 H new ATOM 304 N LEU A 20 -3.553 12.213 -4.056 1.00 0.00 N ATOM 305 CA LEU A 20 -4.153 11.095 -3.291 1.00 0.00 C ATOM 306 C LEU A 20 -5.528 11.573 -2.837 1.00 0.00 C ATOM 307 O LEU A 20 -6.439 10.797 -2.645 1.00 0.00 O ATOM 308 CB LEU A 20 -3.294 10.735 -2.076 1.00 0.00 C ATOM 309 CG LEU A 20 -2.012 10.008 -2.520 1.00 0.00 C ATOM 310 CD1 LEU A 20 -2.350 8.629 -3.123 1.00 0.00 C ATOM 311 CD2 LEU A 20 -1.263 10.858 -3.557 1.00 0.00 C ATOM 0 H LEU A 20 -2.765 12.685 -3.612 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.222 10.200 -3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.034 11.639 -1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.862 10.100 -1.396 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.378 9.860 -1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.430 8.131 -3.431 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.860 8.020 -2.376 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.999 8.760 -3.989 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.357 10.338 -3.867 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.903 11.021 -4.424 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.997 11.819 -3.116 1.00 0.00 H new ATOM 323 N GLN A 21 -5.696 12.862 -2.688 1.00 0.00 N ATOM 324 CA GLN A 21 -7.024 13.392 -2.288 1.00 0.00 C ATOM 325 C GLN A 21 -7.978 13.146 -3.454 1.00 0.00 C ATOM 326 O GLN A 21 -9.095 12.701 -3.278 1.00 0.00 O ATOM 327 CB GLN A 21 -6.913 14.897 -2.014 1.00 0.00 C ATOM 328 CG GLN A 21 -8.199 15.407 -1.357 1.00 0.00 C ATOM 329 CD GLN A 21 -9.314 15.483 -2.401 1.00 0.00 C ATOM 330 OE1 GLN A 21 -9.051 15.538 -3.586 1.00 0.00 O ATOM 331 NE2 GLN A 21 -10.559 15.491 -2.008 1.00 0.00 N ATOM 0 H GLN A 21 -4.970 13.565 -2.827 1.00 0.00 H new ATOM 0 HA GLN A 21 -7.386 12.902 -1.384 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.060 15.095 -1.365 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.734 15.432 -2.946 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -8.493 14.742 -0.545 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -8.030 16.391 -0.919 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -10.780 15.445 -1.013 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -11.311 15.543 -2.696 1.00 0.00 H new ATOM 340 N ALA A 22 -7.524 13.403 -4.656 1.00 0.00 N ATOM 341 CA ALA A 22 -8.379 13.154 -5.851 1.00 0.00 C ATOM 342 C ALA A 22 -8.977 11.749 -5.740 1.00 0.00 C ATOM 343 O ALA A 22 -10.127 11.509 -6.076 1.00 0.00 O ATOM 344 CB ALA A 22 -7.516 13.231 -7.113 1.00 0.00 C ATOM 0 H ALA A 22 -6.596 13.775 -4.858 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.173 13.899 -5.904 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.137 13.049 -7.990 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.066 14.221 -7.186 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.730 12.478 -7.063 1.00 0.00 H new ATOM 350 N ILE A 23 -8.216 10.824 -5.213 1.00 0.00 N ATOM 351 CA ILE A 23 -8.758 9.454 -5.034 1.00 0.00 C ATOM 352 C ILE A 23 -9.875 9.559 -3.991 1.00 0.00 C ATOM 353 O ILE A 23 -11.017 9.258 -4.277 1.00 0.00 O ATOM 354 CB ILE A 23 -7.626 8.490 -4.598 1.00 0.00 C ATOM 355 CG1 ILE A 23 -6.929 7.921 -5.853 1.00 0.00 C ATOM 356 CG2 ILE A 23 -8.183 7.336 -3.745 1.00 0.00 C ATOM 357 CD1 ILE A 23 -6.381 9.074 -6.699 1.00 0.00 C ATOM 0 H ILE A 23 -7.254 10.960 -4.903 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.162 9.047 -5.961 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.909 9.045 -3.994 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.119 7.253 -5.561 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.634 7.330 -6.437 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.368 6.674 -3.452 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.660 7.741 -2.853 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.915 6.775 -4.326 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.889 8.673 -7.585 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.201 9.724 -7.002 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.662 9.646 -6.112 1.00 0.00 H new ATOM 369 N LYS A 24 -9.576 10.039 -2.804 1.00 0.00 N ATOM 370 CA LYS A 24 -10.629 10.230 -1.762 1.00 0.00 C ATOM 371 C LYS A 24 -11.909 10.788 -2.384 1.00 0.00 C ATOM 372 O LYS A 24 -12.984 10.329 -2.072 1.00 0.00 O ATOM 373 CB LYS A 24 -10.100 11.216 -0.707 1.00 0.00 C ATOM 374 CG LYS A 24 -10.895 11.073 0.596 1.00 0.00 C ATOM 375 CD LYS A 24 -10.313 12.011 1.655 1.00 0.00 C ATOM 376 CE LYS A 24 -11.024 11.777 2.989 1.00 0.00 C ATOM 377 NZ LYS A 24 -10.846 10.357 3.405 1.00 0.00 N ATOM 0 H LYS A 24 -8.636 10.308 -2.514 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.861 9.268 -1.304 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.043 11.027 -0.519 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.180 12.237 -1.080 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.944 11.311 0.422 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.856 10.042 0.947 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.243 11.834 1.765 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.434 13.048 1.343 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.619 12.444 3.751 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.085 12.009 2.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.917 10.287 4.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.586 9.772 2.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.911 10.020 3.099 1.00 0.00 H new ATOM 391 N GLN A 25 -11.847 11.780 -3.218 1.00 0.00 N ATOM 392 CA GLN A 25 -13.126 12.314 -3.769 1.00 0.00 C ATOM 393 C GLN A 25 -13.965 11.138 -4.304 1.00 0.00 C ATOM 394 O GLN A 25 -15.184 11.063 -4.186 1.00 0.00 O ATOM 395 CB GLN A 25 -12.812 13.267 -4.925 1.00 0.00 C ATOM 396 CG GLN A 25 -12.125 14.522 -4.380 1.00 0.00 C ATOM 397 CD GLN A 25 -11.972 15.549 -5.502 1.00 0.00 C ATOM 398 OE1 GLN A 25 -11.885 15.139 -6.737 1.00 0.00 O flip ATOM 399 NE2 GLN A 25 -11.931 16.737 -5.251 1.00 0.00 N flip ATOM 0 H GLN A 25 -10.994 12.238 -3.539 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.676 12.843 -2.991 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -12.167 12.773 -5.652 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -13.730 13.539 -5.446 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.711 14.944 -3.564 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.147 14.266 -3.972 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.999 17.057 -4.285 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -11.828 17.415 -6.006 1.00 0.00 H new ATOM 408 N GLU A 26 -13.270 10.216 -4.926 1.00 0.00 N ATOM 409 CA GLU A 26 -13.936 9.030 -5.538 1.00 0.00 C ATOM 410 C GLU A 26 -14.058 7.844 -4.552 1.00 0.00 C ATOM 411 O GLU A 26 -14.920 6.989 -4.731 1.00 0.00 O ATOM 412 CB GLU A 26 -13.117 8.605 -6.772 1.00 0.00 C ATOM 413 CG GLU A 26 -13.622 9.332 -8.025 1.00 0.00 C ATOM 414 CD GLU A 26 -14.929 8.692 -8.495 1.00 0.00 C ATOM 415 OE1 GLU A 26 -14.877 7.572 -8.977 1.00 0.00 O ATOM 416 OE2 GLU A 26 -15.959 9.331 -8.366 1.00 0.00 O ATOM 0 H GLU A 26 -12.256 10.238 -5.035 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.952 9.309 -5.817 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.063 8.832 -6.612 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.194 7.527 -6.914 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.780 10.388 -7.807 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.874 9.278 -8.816 1.00 0.00 H new ATOM 423 N VAL A 27 -13.275 7.759 -3.495 1.00 0.00 N ATOM 424 CA VAL A 27 -13.495 6.593 -2.589 1.00 0.00 C ATOM 425 C VAL A 27 -14.917 6.768 -2.075 1.00 0.00 C ATOM 426 O VAL A 27 -15.642 5.843 -1.767 1.00 0.00 O ATOM 427 CB VAL A 27 -12.501 6.565 -1.409 1.00 0.00 C ATOM 428 CG1 VAL A 27 -11.075 6.780 -1.934 1.00 0.00 C ATOM 429 CG2 VAL A 27 -12.859 7.620 -0.346 1.00 0.00 C ATOM 0 H VAL A 27 -12.534 8.410 -3.235 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.342 5.653 -3.120 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.562 5.589 -0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.373 6.760 -1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.823 5.988 -2.639 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.014 7.745 -2.437 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.139 7.573 0.471 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.833 8.613 -0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -13.859 7.422 0.040 1.00 0.00 H new ATOM 439 N SER A 28 -15.290 8.031 -2.057 1.00 0.00 N ATOM 440 CA SER A 28 -16.657 8.425 -1.646 1.00 0.00 C ATOM 441 C SER A 28 -17.560 7.737 -2.642 1.00 0.00 C ATOM 442 O SER A 28 -18.220 6.793 -2.304 1.00 0.00 O ATOM 443 CB SER A 28 -16.833 9.943 -1.719 1.00 0.00 C ATOM 444 OG SER A 28 -18.051 10.305 -1.081 1.00 0.00 O ATOM 0 H SER A 28 -14.685 8.810 -2.317 1.00 0.00 H new ATOM 0 HA SER A 28 -16.877 8.142 -0.617 1.00 0.00 H new ATOM 0 HB2 SER A 28 -15.993 10.442 -1.235 1.00 0.00 H new ATOM 0 HB3 SER A 28 -16.842 10.270 -2.759 1.00 0.00 H new ATOM 0 HG SER A 28 -18.167 11.277 -1.124 1.00 0.00 H new ATOM 450 N GLN A 29 -17.556 8.218 -3.875 1.00 0.00 N ATOM 451 CA GLN A 29 -18.378 7.594 -4.986 1.00 0.00 C ATOM 452 C GLN A 29 -18.989 6.243 -4.577 1.00 0.00 C ATOM 453 O GLN A 29 -20.176 6.009 -4.690 1.00 0.00 O ATOM 454 CB GLN A 29 -17.438 7.296 -6.164 1.00 0.00 C ATOM 455 CG GLN A 29 -18.270 6.957 -7.407 1.00 0.00 C ATOM 456 CD GLN A 29 -17.341 6.744 -8.602 1.00 0.00 C ATOM 457 OE1 GLN A 29 -17.198 7.615 -9.438 1.00 0.00 O ATOM 458 NE2 GLN A 29 -16.701 5.614 -8.722 1.00 0.00 N ATOM 0 H GLN A 29 -17.010 9.029 -4.164 1.00 0.00 H new ATOM 0 HA GLN A 29 -19.178 8.293 -5.231 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.802 8.158 -6.363 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -16.779 6.464 -5.916 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -18.861 6.059 -7.228 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -18.972 7.763 -7.618 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.821 4.883 -8.021 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.081 5.461 -9.517 1.00 0.00 H new ATOM 467 N ALA A 30 -18.137 5.349 -4.111 1.00 0.00 N ATOM 468 CA ALA A 30 -18.595 3.978 -3.689 1.00 0.00 C ATOM 469 C ALA A 30 -19.016 3.951 -2.216 1.00 0.00 C ATOM 470 O ALA A 30 -19.283 4.955 -1.595 1.00 0.00 O ATOM 471 CB ALA A 30 -17.438 2.984 -3.866 1.00 0.00 C ATOM 0 H ALA A 30 -17.136 5.513 -4.005 1.00 0.00 H new ATOM 0 HA ALA A 30 -19.451 3.709 -4.308 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -17.763 1.989 -3.562 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -17.134 2.962 -4.912 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -16.594 3.294 -3.249 1.00 0.00 H new ATOM 477 N ALA A 31 -19.062 2.778 -1.659 1.00 0.00 N ATOM 478 CA ALA A 31 -19.436 2.630 -0.225 1.00 0.00 C ATOM 479 C ALA A 31 -18.260 3.178 0.613 1.00 0.00 C ATOM 480 O ALA A 31 -17.269 3.583 0.040 1.00 0.00 O ATOM 481 CB ALA A 31 -19.681 1.129 0.045 1.00 0.00 C ATOM 0 H ALA A 31 -18.854 1.903 -2.140 1.00 0.00 H new ATOM 0 HA ALA A 31 -20.341 3.179 0.035 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -19.957 0.988 1.090 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -20.487 0.771 -0.595 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -18.771 0.568 -0.169 1.00 0.00 H new ATOM 487 N PRO A 32 -18.382 3.193 1.928 1.00 0.00 N ATOM 488 CA PRO A 32 -17.291 3.703 2.787 1.00 0.00 C ATOM 489 C PRO A 32 -16.057 2.791 2.636 1.00 0.00 C ATOM 490 O PRO A 32 -15.481 2.324 3.599 1.00 0.00 O ATOM 491 CB PRO A 32 -17.869 3.674 4.225 1.00 0.00 C ATOM 492 CG PRO A 32 -19.308 3.084 4.138 1.00 0.00 C ATOM 493 CD PRO A 32 -19.582 2.729 2.659 1.00 0.00 C ATOM 0 HA PRO A 32 -16.964 4.709 2.525 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -17.244 3.065 4.878 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -17.891 4.677 4.650 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -19.397 2.198 4.767 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -20.040 3.806 4.500 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -19.733 1.657 2.531 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -20.483 3.223 2.294 1.00 0.00 H new ATOM 501 N GLY A 33 -15.663 2.530 1.416 1.00 0.00 N ATOM 502 CA GLY A 33 -14.490 1.644 1.152 1.00 0.00 C ATOM 503 C GLY A 33 -14.862 0.706 0.005 1.00 0.00 C ATOM 504 O GLY A 33 -14.834 1.077 -1.152 1.00 0.00 O ATOM 0 H GLY A 33 -16.112 2.900 0.578 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.614 2.238 0.891 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -14.234 1.073 2.045 1.00 0.00 H new ATOM 508 N SER A 34 -15.248 -0.498 0.323 1.00 0.00 N ATOM 509 CA SER A 34 -15.669 -1.462 -0.732 1.00 0.00 C ATOM 510 C SER A 34 -14.502 -1.717 -1.714 1.00 0.00 C ATOM 511 O SER A 34 -13.524 -0.998 -1.682 1.00 0.00 O ATOM 512 CB SER A 34 -16.864 -0.835 -1.481 1.00 0.00 C ATOM 513 OG SER A 34 -16.538 -0.645 -2.854 1.00 0.00 O ATOM 0 H SER A 34 -15.290 -0.858 1.276 1.00 0.00 H new ATOM 0 HA SER A 34 -15.952 -2.417 -0.289 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.737 -1.481 -1.393 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.127 0.120 -1.026 1.00 0.00 H new ATOM 0 HG SER A 34 -17.303 -0.248 -3.320 1.00 0.00 H new ATOM 519 N PRO A 35 -14.647 -2.692 -2.592 1.00 0.00 N ATOM 520 CA PRO A 35 -13.610 -2.978 -3.610 1.00 0.00 C ATOM 521 C PRO A 35 -13.360 -1.726 -4.462 1.00 0.00 C ATOM 522 O PRO A 35 -12.232 -1.374 -4.740 1.00 0.00 O ATOM 523 CB PRO A 35 -14.201 -4.116 -4.476 1.00 0.00 C ATOM 524 CG PRO A 35 -15.547 -4.546 -3.824 1.00 0.00 C ATOM 525 CD PRO A 35 -15.826 -3.585 -2.644 1.00 0.00 C ATOM 0 HA PRO A 35 -12.656 -3.262 -3.166 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -14.361 -3.776 -5.499 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -13.512 -4.959 -4.525 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -16.356 -4.502 -4.553 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -15.490 -5.576 -3.473 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -16.743 -3.019 -2.804 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -15.948 -4.132 -1.709 1.00 0.00 H new ATOM 533 N GLN A 36 -14.408 -1.067 -4.884 1.00 0.00 N ATOM 534 CA GLN A 36 -14.259 0.159 -5.730 1.00 0.00 C ATOM 535 C GLN A 36 -13.068 0.996 -5.254 1.00 0.00 C ATOM 536 O GLN A 36 -12.389 1.639 -6.037 1.00 0.00 O ATOM 537 CB GLN A 36 -15.531 0.994 -5.612 1.00 0.00 C ATOM 538 CG GLN A 36 -16.704 0.236 -6.237 1.00 0.00 C ATOM 539 CD GLN A 36 -16.537 0.198 -7.757 1.00 0.00 C ATOM 540 OE1 GLN A 36 -16.707 1.291 -8.448 1.00 0.00 O flip ATOM 541 NE2 GLN A 36 -16.249 -0.839 -8.322 1.00 0.00 N flip ATOM 0 H GLN A 36 -15.372 -1.328 -4.677 1.00 0.00 H new ATOM 0 HA GLN A 36 -14.090 -0.139 -6.765 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -15.741 1.209 -4.564 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -15.396 1.953 -6.113 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -16.748 -0.778 -5.840 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -17.644 0.721 -5.976 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -16.116 -1.694 -7.782 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -16.140 -0.854 -9.336 1.00 0.00 H new ATOM 550 N PHE A 37 -12.814 0.998 -3.972 1.00 0.00 N ATOM 551 CA PHE A 37 -11.679 1.795 -3.433 1.00 0.00 C ATOM 552 C PHE A 37 -10.443 1.500 -4.298 1.00 0.00 C ATOM 553 O PHE A 37 -9.786 2.362 -4.849 1.00 0.00 O ATOM 554 CB PHE A 37 -11.424 1.307 -2.001 1.00 0.00 C ATOM 555 CG PHE A 37 -10.704 2.354 -1.155 1.00 0.00 C ATOM 556 CD1 PHE A 37 -9.920 3.373 -1.734 1.00 0.00 C ATOM 557 CD2 PHE A 37 -10.822 2.289 0.241 1.00 0.00 C ATOM 558 CE1 PHE A 37 -9.269 4.307 -0.918 1.00 0.00 C ATOM 559 CE2 PHE A 37 -10.168 3.225 1.051 1.00 0.00 C ATOM 560 CZ PHE A 37 -9.392 4.233 0.471 1.00 0.00 C ATOM 0 H PHE A 37 -13.347 0.479 -3.274 1.00 0.00 H new ATOM 0 HA PHE A 37 -11.891 2.864 -3.442 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -12.374 1.053 -1.531 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -10.829 0.394 -2.030 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -9.821 3.433 -2.808 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -11.421 1.512 0.694 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -8.670 5.087 -1.365 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -10.263 3.168 2.125 1.00 0.00 H new ATOM 0 HZ PHE A 37 -8.888 4.954 1.097 1.00 0.00 H new ATOM 570 N MET A 38 -10.177 0.215 -4.397 1.00 0.00 N ATOM 571 CA MET A 38 -9.031 -0.302 -5.194 1.00 0.00 C ATOM 572 C MET A 38 -9.084 0.281 -6.595 1.00 0.00 C ATOM 573 O MET A 38 -8.078 0.650 -7.145 1.00 0.00 O ATOM 574 CB MET A 38 -9.095 -1.840 -5.271 1.00 0.00 C ATOM 575 CG MET A 38 -8.277 -2.360 -6.473 1.00 0.00 C ATOM 576 SD MET A 38 -9.304 -2.321 -7.965 1.00 0.00 S ATOM 577 CE MET A 38 -9.900 -4.029 -7.881 1.00 0.00 C ATOM 0 H MET A 38 -10.729 -0.512 -3.941 1.00 0.00 H new ATOM 0 HA MET A 38 -8.098 -0.008 -4.712 1.00 0.00 H new ATOM 0 HB2 MET A 38 -8.709 -2.272 -4.348 1.00 0.00 H new ATOM 0 HB3 MET A 38 -10.132 -2.162 -5.364 1.00 0.00 H new ATOM 0 HG2 MET A 38 -7.388 -1.746 -6.615 1.00 0.00 H new ATOM 0 HG3 MET A 38 -7.935 -3.377 -6.281 1.00 0.00 H new ATOM 0 HE1 MET A 38 -10.563 -4.225 -8.723 1.00 0.00 H new ATOM 0 HE2 MET A 38 -9.052 -4.713 -7.920 1.00 0.00 H new ATOM 0 HE3 MET A 38 -10.444 -4.179 -6.948 1.00 0.00 H new ATOM 587 N GLN A 39 -10.242 0.372 -7.175 1.00 0.00 N ATOM 588 CA GLN A 39 -10.343 0.937 -8.549 1.00 0.00 C ATOM 589 C GLN A 39 -9.495 2.211 -8.632 1.00 0.00 C ATOM 590 O GLN A 39 -8.701 2.406 -9.532 1.00 0.00 O ATOM 591 CB GLN A 39 -11.815 1.271 -8.819 1.00 0.00 C ATOM 592 CG GLN A 39 -12.037 1.438 -10.326 1.00 0.00 C ATOM 593 CD GLN A 39 -13.521 1.683 -10.602 1.00 0.00 C ATOM 594 OE1 GLN A 39 -14.349 1.522 -9.727 1.00 0.00 O ATOM 595 NE2 GLN A 39 -13.895 2.069 -11.791 1.00 0.00 N ATOM 0 H GLN A 39 -11.126 0.080 -6.759 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.981 0.222 -9.288 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.455 0.478 -8.433 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.092 2.187 -8.297 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -11.444 2.273 -10.701 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.701 0.546 -10.854 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -13.200 2.204 -12.525 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.882 2.236 -11.986 1.00 0.00 H new ATOM 604 N THR A 40 -9.673 3.071 -7.673 1.00 0.00 N ATOM 605 CA THR A 40 -8.909 4.346 -7.627 1.00 0.00 C ATOM 606 C THR A 40 -7.486 4.087 -7.097 1.00 0.00 C ATOM 607 O THR A 40 -6.541 4.636 -7.629 1.00 0.00 O ATOM 608 CB THR A 40 -9.680 5.334 -6.736 1.00 0.00 C ATOM 609 OG1 THR A 40 -10.851 4.690 -6.255 1.00 0.00 O ATOM 610 CG2 THR A 40 -10.093 6.582 -7.510 1.00 0.00 C ATOM 0 H THR A 40 -10.329 2.942 -6.903 1.00 0.00 H new ATOM 0 HA THR A 40 -8.807 4.774 -8.624 1.00 0.00 H new ATOM 0 HB THR A 40 -9.029 5.638 -5.916 1.00 0.00 H new ATOM 0 HG1 THR A 40 -11.353 5.308 -5.683 1.00 0.00 H new ATOM 0 HG21 THR A 40 -10.636 7.257 -6.849 1.00 0.00 H new ATOM 0 HG22 THR A 40 -9.204 7.084 -7.892 1.00 0.00 H new ATOM 0 HG23 THR A 40 -10.735 6.297 -8.344 1.00 0.00 H new ATOM 618 N ILE A 41 -7.280 3.264 -6.117 1.00 0.00 N ATOM 619 CA ILE A 41 -5.866 3.029 -5.689 1.00 0.00 C ATOM 620 C ILE A 41 -5.211 2.131 -6.731 1.00 0.00 C ATOM 621 O ILE A 41 -4.013 1.936 -6.732 1.00 0.00 O ATOM 622 CB ILE A 41 -5.803 2.373 -4.309 1.00 0.00 C ATOM 623 CG1 ILE A 41 -6.627 3.203 -3.304 1.00 0.00 C ATOM 624 CG2 ILE A 41 -4.341 2.265 -3.857 1.00 0.00 C ATOM 625 CD1 ILE A 41 -5.795 4.370 -2.748 1.00 0.00 C ATOM 0 H ILE A 41 -7.998 2.754 -5.602 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.342 3.982 -5.614 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.225 1.369 -4.358 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.522 3.589 -3.792 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.960 2.565 -2.485 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.298 1.797 -2.873 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.783 1.660 -4.571 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.902 3.261 -3.805 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.397 4.942 -2.041 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.913 3.979 -2.241 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.484 5.018 -3.567 1.00 0.00 H new ATOM 637 N ARG A 42 -5.983 1.618 -7.645 1.00 0.00 N ATOM 638 CA ARG A 42 -5.397 0.771 -8.712 1.00 0.00 C ATOM 639 C ARG A 42 -4.605 1.669 -9.645 1.00 0.00 C ATOM 640 O ARG A 42 -3.443 1.445 -9.899 1.00 0.00 O ATOM 641 CB ARG A 42 -6.493 0.090 -9.526 1.00 0.00 C ATOM 642 CG ARG A 42 -5.855 -0.835 -10.564 1.00 0.00 C ATOM 643 CD ARG A 42 -6.944 -1.658 -11.256 1.00 0.00 C ATOM 644 NE ARG A 42 -6.328 -2.517 -12.307 1.00 0.00 N ATOM 645 CZ ARG A 42 -7.006 -3.507 -12.822 1.00 0.00 C ATOM 646 NH1 ARG A 42 -8.224 -3.744 -12.417 1.00 0.00 N ATOM 647 NH2 ARG A 42 -6.467 -4.259 -13.742 1.00 0.00 N ATOM 0 H ARG A 42 -6.993 1.750 -7.698 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.767 0.008 -8.255 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.148 -0.481 -8.868 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.112 0.838 -10.021 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.306 -0.248 -11.300 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.135 -1.497 -10.083 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.466 -2.277 -10.526 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.686 -0.996 -11.702 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.376 -2.331 -12.624 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.646 -3.156 -11.698 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.754 -4.517 -12.819 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.515 -4.074 -14.059 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.997 -5.032 -14.144 1.00 0.00 H new ATOM 661 N LEU A 43 -5.243 2.671 -10.188 1.00 0.00 N ATOM 662 CA LEU A 43 -4.543 3.572 -11.152 1.00 0.00 C ATOM 663 C LEU A 43 -3.654 4.586 -10.427 1.00 0.00 C ATOM 664 O LEU A 43 -2.785 5.179 -11.025 1.00 0.00 O ATOM 665 CB LEU A 43 -5.581 4.336 -11.980 1.00 0.00 C ATOM 666 CG LEU A 43 -6.604 3.364 -12.579 1.00 0.00 C ATOM 667 CD1 LEU A 43 -7.732 4.161 -13.238 1.00 0.00 C ATOM 668 CD2 LEU A 43 -5.928 2.472 -13.629 1.00 0.00 C ATOM 0 H LEU A 43 -6.219 2.905 -10.006 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.916 2.953 -11.794 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.089 5.068 -11.353 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.085 4.889 -12.777 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.010 2.736 -11.786 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.462 3.473 -13.665 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.219 4.788 -12.491 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.320 4.790 -14.027 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.662 1.785 -14.049 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.516 3.094 -14.424 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.125 1.903 -13.160 1.00 0.00 H new ATOM 680 N ALA A 44 -3.836 4.792 -9.153 1.00 0.00 N ATOM 681 CA ALA A 44 -2.956 5.783 -8.446 1.00 0.00 C ATOM 682 C ALA A 44 -1.679 5.091 -7.964 1.00 0.00 C ATOM 683 O ALA A 44 -0.591 5.590 -8.179 1.00 0.00 O ATOM 684 CB ALA A 44 -3.701 6.420 -7.271 1.00 0.00 C ATOM 0 H ALA A 44 -4.539 4.332 -8.574 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.685 6.575 -9.143 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.048 7.135 -6.771 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.588 6.935 -7.639 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.998 5.644 -6.565 1.00 0.00 H new ATOM 690 N VAL A 45 -1.769 3.960 -7.337 1.00 0.00 N ATOM 691 CA VAL A 45 -0.527 3.286 -6.884 1.00 0.00 C ATOM 692 C VAL A 45 0.141 2.609 -8.088 1.00 0.00 C ATOM 693 O VAL A 45 1.334 2.408 -8.110 1.00 0.00 O ATOM 694 CB VAL A 45 -0.875 2.248 -5.803 1.00 0.00 C ATOM 695 CG1 VAL A 45 0.272 1.243 -5.638 1.00 0.00 C ATOM 696 CG2 VAL A 45 -1.114 2.965 -4.467 1.00 0.00 C ATOM 0 H VAL A 45 -2.639 3.475 -7.119 1.00 0.00 H new ATOM 0 HA VAL A 45 0.164 4.014 -6.458 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.775 1.713 -6.106 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.010 0.515 -4.870 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.443 0.727 -6.583 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.179 1.771 -5.344 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.361 2.231 -3.699 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.212 3.504 -4.177 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.939 3.669 -4.574 1.00 0.00 H new ATOM 706 N GLN A 46 -0.605 2.260 -9.098 1.00 0.00 N ATOM 707 CA GLN A 46 0.023 1.598 -10.278 1.00 0.00 C ATOM 708 C GLN A 46 0.632 2.652 -11.210 1.00 0.00 C ATOM 709 O GLN A 46 1.478 2.352 -12.028 1.00 0.00 O ATOM 710 CB GLN A 46 -1.045 0.811 -11.050 1.00 0.00 C ATOM 711 CG GLN A 46 -0.403 0.008 -12.190 1.00 0.00 C ATOM 712 CD GLN A 46 0.590 -1.010 -11.624 1.00 0.00 C ATOM 713 OE1 GLN A 46 0.203 -2.073 -11.181 1.00 0.00 O ATOM 714 NE2 GLN A 46 1.864 -0.727 -11.622 1.00 0.00 N ATOM 0 H GLN A 46 -1.613 2.402 -9.159 1.00 0.00 H new ATOM 0 HA GLN A 46 0.806 0.925 -9.930 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.569 0.137 -10.372 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.789 1.497 -11.455 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -1.175 -0.506 -12.763 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.108 0.682 -12.877 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.189 0.166 -11.994 1.00 0.00 H new ATOM 0 HE22 GLN A 46 2.535 -1.398 -11.248 1.00 0.00 H new ATOM 723 N GLN A 47 0.200 3.886 -11.116 1.00 0.00 N ATOM 724 CA GLN A 47 0.750 4.931 -12.032 1.00 0.00 C ATOM 725 C GLN A 47 2.022 5.561 -11.466 1.00 0.00 C ATOM 726 O GLN A 47 3.099 5.428 -12.012 1.00 0.00 O ATOM 727 CB GLN A 47 -0.303 6.035 -12.218 1.00 0.00 C ATOM 728 CG GLN A 47 -1.392 5.554 -13.190 1.00 0.00 C ATOM 729 CD GLN A 47 -0.869 5.629 -14.626 1.00 0.00 C ATOM 730 OE1 GLN A 47 -0.995 6.646 -15.279 1.00 0.00 O ATOM 731 NE2 GLN A 47 -0.282 4.587 -15.149 1.00 0.00 N ATOM 0 H GLN A 47 -0.502 4.212 -10.452 1.00 0.00 H new ATOM 0 HA GLN A 47 0.993 4.456 -12.982 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.748 6.292 -11.257 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.168 6.939 -12.603 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.681 4.531 -12.951 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.285 6.170 -13.085 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.176 3.733 -14.601 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.071 4.627 -16.105 1.00 0.00 H new ATOM 740 N PHE A 48 1.886 6.281 -10.385 1.00 0.00 N ATOM 741 CA PHE A 48 3.059 6.970 -9.780 1.00 0.00 C ATOM 742 C PHE A 48 3.820 6.023 -8.854 1.00 0.00 C ATOM 743 O PHE A 48 4.848 6.387 -8.321 1.00 0.00 O ATOM 744 CB PHE A 48 2.561 8.174 -8.975 1.00 0.00 C ATOM 745 CG PHE A 48 3.728 8.875 -8.321 1.00 0.00 C ATOM 746 CD1 PHE A 48 4.434 9.861 -9.021 1.00 0.00 C ATOM 747 CD2 PHE A 48 4.101 8.542 -7.014 1.00 0.00 C ATOM 748 CE1 PHE A 48 5.512 10.514 -8.413 1.00 0.00 C ATOM 749 CE2 PHE A 48 5.180 9.195 -6.406 1.00 0.00 C ATOM 750 CZ PHE A 48 5.885 10.181 -7.105 1.00 0.00 C ATOM 0 H PHE A 48 1.004 6.422 -9.892 1.00 0.00 H new ATOM 0 HA PHE A 48 3.732 7.295 -10.574 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.031 8.866 -9.630 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.851 7.846 -8.216 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.147 10.117 -10.030 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.557 7.781 -6.474 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.056 11.275 -8.953 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.468 8.938 -5.397 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.717 10.685 -6.636 1.00 0.00 H new ATOM 760 N ASP A 49 3.337 4.811 -8.675 1.00 0.00 N ATOM 761 CA ASP A 49 4.045 3.823 -7.784 1.00 0.00 C ATOM 762 C ASP A 49 4.796 4.529 -6.640 1.00 0.00 C ATOM 763 O ASP A 49 6.009 4.586 -6.659 1.00 0.00 O ATOM 764 CB ASP A 49 5.065 3.041 -8.607 1.00 0.00 C ATOM 765 CG ASP A 49 4.360 2.333 -9.765 1.00 0.00 C ATOM 766 OD1 ASP A 49 3.549 2.969 -10.417 1.00 0.00 O ATOM 767 OD2 ASP A 49 4.643 1.166 -9.980 1.00 0.00 O ATOM 0 H ASP A 49 2.482 4.462 -9.108 1.00 0.00 H new ATOM 0 HA ASP A 49 3.291 3.162 -7.358 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.830 3.716 -8.992 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.572 2.311 -7.976 1.00 0.00 H new ATOM 772 N PRO A 50 4.070 5.050 -5.682 1.00 0.00 N ATOM 773 CA PRO A 50 4.696 5.750 -4.546 1.00 0.00 C ATOM 774 C PRO A 50 5.639 4.788 -3.807 1.00 0.00 C ATOM 775 O PRO A 50 5.527 3.584 -3.926 1.00 0.00 O ATOM 776 CB PRO A 50 3.511 6.193 -3.657 1.00 0.00 C ATOM 777 CG PRO A 50 2.199 5.833 -4.416 1.00 0.00 C ATOM 778 CD PRO A 50 2.596 4.987 -5.644 1.00 0.00 C ATOM 0 HA PRO A 50 5.302 6.605 -4.845 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.546 5.689 -2.691 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.559 7.264 -3.460 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.521 5.276 -3.769 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.674 6.737 -4.726 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.246 3.959 -5.547 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.159 5.387 -6.559 1.00 0.00 H new ATOM 786 N THR A 51 6.562 5.306 -3.042 1.00 0.00 N ATOM 787 CA THR A 51 7.497 4.409 -2.302 1.00 0.00 C ATOM 788 C THR A 51 6.803 3.901 -1.038 1.00 0.00 C ATOM 789 O THR A 51 5.747 4.376 -0.669 1.00 0.00 O ATOM 790 CB THR A 51 8.760 5.185 -1.918 1.00 0.00 C ATOM 791 OG1 THR A 51 8.419 6.236 -1.026 1.00 0.00 O ATOM 792 CG2 THR A 51 9.403 5.769 -3.177 1.00 0.00 C ATOM 0 H THR A 51 6.709 6.305 -2.898 1.00 0.00 H new ATOM 0 HA THR A 51 7.775 3.566 -2.934 1.00 0.00 H new ATOM 0 HB THR A 51 9.465 4.512 -1.430 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.228 6.731 -0.779 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.302 6.321 -2.904 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.667 4.961 -3.859 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.699 6.442 -3.667 1.00 0.00 H new ATOM 800 N ALA A 52 7.380 2.943 -0.366 1.00 0.00 N ATOM 801 CA ALA A 52 6.735 2.423 0.871 1.00 0.00 C ATOM 802 C ALA A 52 6.534 3.585 1.848 1.00 0.00 C ATOM 803 O ALA A 52 5.708 3.541 2.742 1.00 0.00 O ATOM 804 CB ALA A 52 7.636 1.365 1.506 1.00 0.00 C ATOM 0 H ALA A 52 8.264 2.501 -0.618 1.00 0.00 H new ATOM 0 HA ALA A 52 5.771 1.974 0.630 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.166 0.983 2.412 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.787 0.546 0.803 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.599 1.810 1.757 1.00 0.00 H new ATOM 810 N LYS A 53 7.289 4.631 1.660 1.00 0.00 N ATOM 811 CA LYS A 53 7.174 5.826 2.543 1.00 0.00 C ATOM 812 C LYS A 53 5.734 6.334 2.537 1.00 0.00 C ATOM 813 O LYS A 53 5.068 6.362 3.554 1.00 0.00 O ATOM 814 CB LYS A 53 8.087 6.919 2.011 1.00 0.00 C ATOM 815 CG LYS A 53 9.530 6.406 1.970 1.00 0.00 C ATOM 816 CD LYS A 53 10.496 7.574 1.747 1.00 0.00 C ATOM 817 CE LYS A 53 11.921 7.124 2.073 1.00 0.00 C ATOM 818 NZ LYS A 53 12.870 8.238 1.791 1.00 0.00 N ATOM 0 H LYS A 53 7.990 4.710 0.923 1.00 0.00 H new ATOM 0 HA LYS A 53 7.459 5.558 3.560 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.768 7.220 1.013 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.022 7.803 2.646 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.771 5.898 2.904 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.642 5.674 1.171 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.438 7.916 0.714 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.216 8.418 2.378 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.990 6.829 3.120 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.183 6.249 1.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.839 7.933 2.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.810 8.499 0.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.624 9.061 2.378 1.00 0.00 H new ATOM 832 N ASP A 54 5.224 6.687 1.388 1.00 0.00 N ATOM 833 CA ASP A 54 3.813 7.136 1.297 1.00 0.00 C ATOM 834 C ASP A 54 2.930 6.085 1.960 1.00 0.00 C ATOM 835 O ASP A 54 2.164 6.391 2.852 1.00 0.00 O ATOM 836 CB ASP A 54 3.438 7.267 -0.195 1.00 0.00 C ATOM 837 CG ASP A 54 2.376 8.355 -0.398 1.00 0.00 C ATOM 838 OD1 ASP A 54 2.474 9.384 0.250 1.00 0.00 O ATOM 839 OD2 ASP A 54 1.486 8.139 -1.204 1.00 0.00 O ATOM 0 H ASP A 54 5.732 6.682 0.504 1.00 0.00 H new ATOM 0 HA ASP A 54 3.676 8.096 1.795 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.327 7.507 -0.778 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.063 6.313 -0.565 1.00 0.00 H new ATOM 844 N LEU A 55 3.008 4.859 1.517 1.00 0.00 N ATOM 845 CA LEU A 55 2.146 3.788 2.115 1.00 0.00 C ATOM 846 C LEU A 55 2.080 3.952 3.637 1.00 0.00 C ATOM 847 O LEU A 55 1.145 3.513 4.277 1.00 0.00 O ATOM 848 CB LEU A 55 2.716 2.409 1.772 1.00 0.00 C ATOM 849 CG LEU A 55 2.953 2.290 0.259 1.00 0.00 C ATOM 850 CD1 LEU A 55 3.320 0.841 -0.084 1.00 0.00 C ATOM 851 CD2 LEU A 55 1.682 2.689 -0.508 1.00 0.00 C ATOM 0 H LEU A 55 3.628 4.549 0.769 1.00 0.00 H new ATOM 0 HA LEU A 55 1.141 3.876 1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.653 2.252 2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.027 1.631 2.101 1.00 0.00 H new ATOM 0 HG LEU A 55 3.766 2.956 -0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.489 0.753 -1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.227 0.559 0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.505 0.180 0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.861 2.601 -1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.862 2.030 -0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.420 3.719 -0.267 1.00 0.00 H new ATOM 863 N GLN A 56 3.051 4.602 4.218 1.00 0.00 N ATOM 864 CA GLN A 56 3.020 4.812 5.693 1.00 0.00 C ATOM 865 C GLN A 56 2.083 5.984 6.015 1.00 0.00 C ATOM 866 O GLN A 56 1.306 5.929 6.947 1.00 0.00 O ATOM 867 CB GLN A 56 4.430 5.128 6.198 1.00 0.00 C ATOM 868 CG GLN A 56 4.444 5.087 7.727 1.00 0.00 C ATOM 869 CD GLN A 56 5.780 5.627 8.240 1.00 0.00 C ATOM 870 OE1 GLN A 56 6.450 6.375 7.556 1.00 0.00 O ATOM 871 NE2 GLN A 56 6.198 5.277 9.426 1.00 0.00 N ATOM 0 H GLN A 56 3.861 4.995 3.738 1.00 0.00 H new ATOM 0 HA GLN A 56 2.659 3.908 6.184 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.142 4.406 5.797 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.742 6.112 5.847 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.622 5.682 8.125 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.295 4.065 8.075 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.636 4.649 10.000 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.087 5.631 9.779 1.00 0.00 H new ATOM 880 N ASP A 57 2.147 7.044 5.247 1.00 0.00 N ATOM 881 CA ASP A 57 1.253 8.219 5.508 1.00 0.00 C ATOM 882 C ASP A 57 -0.106 8.013 4.825 1.00 0.00 C ATOM 883 O ASP A 57 -1.044 8.743 5.078 1.00 0.00 O ATOM 884 CB ASP A 57 1.908 9.505 4.993 1.00 0.00 C ATOM 885 CG ASP A 57 0.922 10.670 5.114 1.00 0.00 C ATOM 886 OD1 ASP A 57 0.105 10.824 4.221 1.00 0.00 O ATOM 887 OD2 ASP A 57 1.000 11.387 6.098 1.00 0.00 O ATOM 0 H ASP A 57 2.778 7.148 4.452 1.00 0.00 H new ATOM 0 HA ASP A 57 1.097 8.308 6.583 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.811 9.719 5.565 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.211 9.379 3.954 1.00 0.00 H new ATOM 892 N LEU A 58 -0.243 7.018 3.994 1.00 0.00 N ATOM 893 CA LEU A 58 -1.568 6.769 3.342 1.00 0.00 C ATOM 894 C LEU A 58 -2.366 5.811 4.230 1.00 0.00 C ATOM 895 O LEU A 58 -3.581 5.838 4.245 1.00 0.00 O ATOM 896 CB LEU A 58 -1.362 6.160 1.945 1.00 0.00 C ATOM 897 CG LEU A 58 -1.307 7.260 0.873 1.00 0.00 C ATOM 898 CD1 LEU A 58 -2.691 7.917 0.687 1.00 0.00 C ATOM 899 CD2 LEU A 58 -0.273 8.323 1.272 1.00 0.00 C ATOM 0 H LEU A 58 0.499 6.367 3.736 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.113 7.706 3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.438 5.583 1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.174 5.468 1.721 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.014 6.805 -0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.626 8.692 -0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.414 7.162 0.377 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.012 8.362 1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.238 9.101 0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.556 8.765 2.228 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.709 7.859 1.363 1.00 0.00 H new ATOM 911 N LEU A 59 -1.700 5.000 5.000 1.00 0.00 N ATOM 912 CA LEU A 59 -2.430 4.075 5.921 1.00 0.00 C ATOM 913 C LEU A 59 -2.606 4.789 7.269 1.00 0.00 C ATOM 914 O LEU A 59 -3.423 4.414 8.081 1.00 0.00 O ATOM 915 CB LEU A 59 -1.617 2.770 6.105 1.00 0.00 C ATOM 916 CG LEU A 59 -2.207 1.642 5.245 1.00 0.00 C ATOM 917 CD1 LEU A 59 -2.018 1.973 3.764 1.00 0.00 C ATOM 918 CD2 LEU A 59 -1.491 0.330 5.571 1.00 0.00 C ATOM 0 H LEU A 59 -0.683 4.934 5.035 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.404 3.814 5.508 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.577 2.941 5.828 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.623 2.476 7.155 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.271 1.540 5.458 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.437 1.172 3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.527 2.909 3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.955 2.075 3.547 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.907 -0.473 4.962 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.427 0.433 5.357 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.628 0.093 6.626 1.00 0.00 H new ATOM 930 N GLN A 60 -1.829 5.802 7.525 1.00 0.00 N ATOM 931 CA GLN A 60 -1.947 6.520 8.828 1.00 0.00 C ATOM 932 C GLN A 60 -2.886 7.723 8.693 1.00 0.00 C ATOM 933 O GLN A 60 -3.448 8.190 9.664 1.00 0.00 O ATOM 934 CB GLN A 60 -0.566 7.026 9.239 1.00 0.00 C ATOM 935 CG GLN A 60 0.319 5.840 9.628 1.00 0.00 C ATOM 936 CD GLN A 60 -0.144 5.278 10.973 1.00 0.00 C ATOM 937 OE1 GLN A 60 -0.645 4.174 11.043 1.00 0.00 O ATOM 938 NE2 GLN A 60 0.003 5.998 12.052 1.00 0.00 N ATOM 0 H GLN A 60 -1.117 6.165 6.891 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.347 5.834 9.575 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.111 7.579 8.417 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.655 7.717 10.077 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.267 5.067 8.861 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.360 6.155 9.693 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.424 6.925 11.993 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.303 5.633 12.954 1.00 0.00 H new ATOM 947 N TYR A 61 -3.045 8.242 7.496 1.00 0.00 N ATOM 948 CA TYR A 61 -3.931 9.436 7.288 1.00 0.00 C ATOM 949 C TYR A 61 -5.198 9.039 6.525 1.00 0.00 C ATOM 950 O TYR A 61 -6.301 9.319 6.952 1.00 0.00 O ATOM 951 CB TYR A 61 -3.171 10.487 6.477 1.00 0.00 C ATOM 952 CG TYR A 61 -4.015 11.732 6.347 1.00 0.00 C ATOM 953 CD1 TYR A 61 -3.932 12.740 7.316 1.00 0.00 C ATOM 954 CD2 TYR A 61 -4.882 11.880 5.257 1.00 0.00 C ATOM 955 CE1 TYR A 61 -4.714 13.894 7.195 1.00 0.00 C ATOM 956 CE2 TYR A 61 -5.664 13.035 5.137 1.00 0.00 C ATOM 957 CZ TYR A 61 -5.581 14.042 6.105 1.00 0.00 C ATOM 958 OH TYR A 61 -6.352 15.180 5.986 1.00 0.00 O ATOM 0 H TYR A 61 -2.597 7.888 6.650 1.00 0.00 H new ATOM 0 HA TYR A 61 -4.215 9.838 8.261 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.226 10.725 6.966 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -2.929 10.094 5.489 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.264 12.626 8.157 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -4.947 11.103 4.509 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -4.649 14.671 7.942 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.332 13.149 4.296 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.896 15.123 5.173 1.00 0.00 H new ATOM 968 N LEU A 62 -5.056 8.405 5.391 1.00 0.00 N ATOM 969 CA LEU A 62 -6.264 8.016 4.605 1.00 0.00 C ATOM 970 C LEU A 62 -7.020 6.913 5.354 1.00 0.00 C ATOM 971 O LEU A 62 -8.232 6.848 5.312 1.00 0.00 O ATOM 972 CB LEU A 62 -5.834 7.535 3.203 1.00 0.00 C ATOM 973 CG LEU A 62 -6.907 7.870 2.146 1.00 0.00 C ATOM 974 CD1 LEU A 62 -8.267 7.314 2.586 1.00 0.00 C ATOM 975 CD2 LEU A 62 -7.008 9.398 1.935 1.00 0.00 C ATOM 0 H LEU A 62 -4.162 8.141 4.977 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.926 8.874 4.486 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.890 8.005 2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.661 6.459 3.222 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.617 7.408 1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.019 7.555 1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.199 6.232 2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.551 7.760 3.539 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.770 9.612 1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.278 9.878 2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.047 9.783 1.595 1.00 0.00 H new ATOM 987 N CYS A 63 -6.320 6.066 6.066 1.00 0.00 N ATOM 988 CA CYS A 63 -7.000 4.985 6.849 1.00 0.00 C ATOM 989 C CYS A 63 -6.909 5.358 8.329 1.00 0.00 C ATOM 990 O CYS A 63 -6.978 6.518 8.685 1.00 0.00 O ATOM 991 CB CYS A 63 -6.277 3.658 6.608 1.00 0.00 C ATOM 992 SG CYS A 63 -5.977 3.449 4.836 1.00 0.00 S ATOM 0 H CYS A 63 -5.303 6.075 6.140 1.00 0.00 H new ATOM 0 HA CYS A 63 -8.042 4.881 6.545 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.333 3.642 7.152 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.877 2.830 6.986 1.00 0.00 H new ATOM 0 HG CYS A 63 -5.139 4.355 4.428 1.00 0.00 H new ATOM 998 N SER A 64 -6.717 4.402 9.198 1.00 0.00 N ATOM 999 CA SER A 64 -6.581 4.741 10.645 1.00 0.00 C ATOM 1000 C SER A 64 -5.857 3.604 11.371 1.00 0.00 C ATOM 1001 O SER A 64 -5.636 2.543 10.822 1.00 0.00 O ATOM 1002 CB SER A 64 -7.957 4.975 11.268 1.00 0.00 C ATOM 1003 OG SER A 64 -8.606 6.041 10.587 1.00 0.00 O ATOM 0 H SER A 64 -6.649 3.410 8.972 1.00 0.00 H new ATOM 0 HA SER A 64 -5.999 5.657 10.744 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.557 4.068 11.203 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.854 5.214 12.327 1.00 0.00 H new ATOM 0 HG SER A 64 -7.943 6.564 10.090 1.00 0.00 H new ATOM 1009 N SER A 65 -5.465 3.839 12.596 1.00 0.00 N ATOM 1010 CA SER A 65 -4.726 2.802 13.378 1.00 0.00 C ATOM 1011 C SER A 65 -5.310 1.407 13.137 1.00 0.00 C ATOM 1012 O SER A 65 -4.646 0.536 12.612 1.00 0.00 O ATOM 1013 CB SER A 65 -4.812 3.134 14.867 1.00 0.00 C ATOM 1014 OG SER A 65 -4.214 4.402 15.101 1.00 0.00 O ATOM 0 H SER A 65 -5.627 4.714 13.094 1.00 0.00 H new ATOM 0 HA SER A 65 -3.686 2.802 13.050 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.853 3.145 15.189 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.305 2.367 15.452 1.00 0.00 H new ATOM 0 HG SER A 65 -4.269 4.619 16.055 1.00 0.00 H new ATOM 1020 N LEU A 66 -6.533 1.172 13.530 1.00 0.00 N ATOM 1021 CA LEU A 66 -7.136 -0.177 13.338 1.00 0.00 C ATOM 1022 C LEU A 66 -6.872 -0.693 11.920 1.00 0.00 C ATOM 1023 O LEU A 66 -6.107 -1.615 11.728 1.00 0.00 O ATOM 1024 CB LEU A 66 -8.648 -0.074 13.580 1.00 0.00 C ATOM 1025 CG LEU A 66 -9.334 -1.428 13.344 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -8.713 -2.504 14.250 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -10.826 -1.286 13.663 1.00 0.00 C ATOM 0 H LEU A 66 -7.141 1.858 13.977 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.686 -0.877 14.042 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.835 0.260 14.601 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.077 0.676 12.915 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.199 -1.728 12.305 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.208 -3.459 14.073 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.650 -2.599 14.026 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.840 -2.218 15.294 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -11.326 -2.241 13.499 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.949 -0.986 14.704 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.267 -0.530 13.013 1.00 0.00 H new ATOM 1039 N VAL A 67 -7.558 -0.151 10.941 1.00 0.00 N ATOM 1040 CA VAL A 67 -7.410 -0.641 9.528 1.00 0.00 C ATOM 1041 C VAL A 67 -5.967 -1.098 9.257 1.00 0.00 C ATOM 1042 O VAL A 67 -5.711 -2.250 8.967 1.00 0.00 O ATOM 1043 CB VAL A 67 -7.786 0.478 8.559 1.00 0.00 C ATOM 1044 CG1 VAL A 67 -7.651 -0.023 7.121 1.00 0.00 C ATOM 1045 CG2 VAL A 67 -9.233 0.908 8.816 1.00 0.00 C ATOM 0 H VAL A 67 -8.220 0.616 11.059 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.074 -1.493 9.383 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.120 1.328 8.710 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.920 0.776 6.430 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.621 -0.330 6.938 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.316 -0.873 6.968 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.503 1.707 8.125 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.898 0.057 8.665 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.329 1.266 9.841 1.00 0.00 H new ATOM 1055 N ALA A 68 -5.021 -0.198 9.375 1.00 0.00 N ATOM 1056 CA ALA A 68 -3.589 -0.559 9.156 1.00 0.00 C ATOM 1057 C ALA A 68 -3.268 -1.853 9.905 1.00 0.00 C ATOM 1058 O ALA A 68 -2.495 -2.674 9.452 1.00 0.00 O ATOM 1059 CB ALA A 68 -2.705 0.563 9.704 1.00 0.00 C ATOM 0 H ALA A 68 -5.183 0.780 9.616 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.405 -0.697 8.091 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.656 0.309 9.549 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.934 1.493 9.184 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -2.894 0.687 10.770 1.00 0.00 H new ATOM 1065 N SER A 69 -3.863 -2.035 11.048 1.00 0.00 N ATOM 1066 CA SER A 69 -3.613 -3.265 11.843 1.00 0.00 C ATOM 1067 C SER A 69 -3.888 -4.490 10.978 1.00 0.00 C ATOM 1068 O SER A 69 -3.006 -5.265 10.662 1.00 0.00 O ATOM 1069 CB SER A 69 -4.560 -3.281 13.050 1.00 0.00 C ATOM 1070 OG SER A 69 -4.027 -4.139 14.051 1.00 0.00 O ATOM 0 H SER A 69 -4.519 -1.377 11.469 1.00 0.00 H new ATOM 0 HA SER A 69 -2.577 -3.280 12.182 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.681 -2.273 13.445 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.549 -3.626 12.747 1.00 0.00 H new ATOM 0 HG SER A 69 -4.628 -4.151 14.825 1.00 0.00 H new ATOM 1076 N LEU A 70 -5.127 -4.672 10.610 1.00 0.00 N ATOM 1077 CA LEU A 70 -5.505 -5.850 9.786 1.00 0.00 C ATOM 1078 C LEU A 70 -5.238 -5.594 8.296 1.00 0.00 C ATOM 1079 O LEU A 70 -4.955 -6.524 7.570 1.00 0.00 O ATOM 1080 CB LEU A 70 -6.971 -6.212 10.017 1.00 0.00 C ATOM 1081 CG LEU A 70 -7.312 -6.087 11.501 1.00 0.00 C ATOM 1082 CD1 LEU A 70 -8.779 -6.462 11.715 1.00 0.00 C ATOM 1083 CD2 LEU A 70 -6.418 -7.026 12.309 1.00 0.00 C ATOM 0 H LEU A 70 -5.898 -4.048 10.848 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.885 -6.692 10.095 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.613 -5.554 9.431 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.161 -7.230 9.676 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.148 -5.061 11.831 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.026 -6.374 12.773 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.414 -5.791 11.137 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.944 -7.489 11.388 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.660 -6.938 13.368 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.582 -8.053 11.984 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.373 -6.758 12.152 1.00 0.00 H new ATOM 1095 N HIS A 71 -5.343 -4.399 7.803 1.00 0.00 N ATOM 1096 CA HIS A 71 -5.105 -4.218 6.339 1.00 0.00 C ATOM 1097 C HIS A 71 -3.747 -4.865 5.962 1.00 0.00 C ATOM 1098 O HIS A 71 -3.629 -5.770 5.132 1.00 0.00 O ATOM 1099 CB HIS A 71 -5.069 -2.717 6.035 1.00 0.00 C ATOM 1100 CG HIS A 71 -4.701 -2.469 4.595 1.00 0.00 C ATOM 1101 ND1 HIS A 71 -4.214 -3.463 3.759 1.00 0.00 N ATOM 1102 CD2 HIS A 71 -4.725 -1.324 3.838 1.00 0.00 C ATOM 1103 CE1 HIS A 71 -3.963 -2.899 2.564 1.00 0.00 C ATOM 1104 NE2 HIS A 71 -4.259 -1.598 2.558 1.00 0.00 N ATOM 0 H HIS A 71 -5.576 -3.556 8.327 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.899 -4.692 5.762 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.043 -2.275 6.247 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.348 -2.227 6.689 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -5.056 -0.356 4.185 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -3.570 -3.434 1.713 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -4.164 -0.945 1.781 1.00 0.00 H new ATOM 1112 N HIS A 72 -2.704 -4.382 6.590 1.00 0.00 N ATOM 1113 CA HIS A 72 -1.351 -4.920 6.303 1.00 0.00 C ATOM 1114 C HIS A 72 -1.324 -6.395 6.685 1.00 0.00 C ATOM 1115 O HIS A 72 -0.758 -7.203 5.979 1.00 0.00 O ATOM 1116 CB HIS A 72 -0.292 -4.143 7.091 1.00 0.00 C ATOM 1117 CG HIS A 72 1.050 -4.806 6.928 1.00 0.00 C ATOM 1118 ND1 HIS A 72 1.977 -4.379 5.991 1.00 0.00 N ATOM 1119 CD2 HIS A 72 1.635 -5.865 7.578 1.00 0.00 C ATOM 1120 CE1 HIS A 72 3.060 -5.170 6.102 1.00 0.00 C ATOM 1121 NE2 HIS A 72 2.904 -6.093 7.055 1.00 0.00 N ATOM 0 H HIS A 72 -2.737 -3.639 7.288 1.00 0.00 H new ATOM 0 HA HIS A 72 -1.127 -4.811 5.242 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.245 -3.113 6.737 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.564 -4.106 8.146 1.00 0.00 H new ATOM 0 HD2 HIS A 72 1.179 -6.434 8.374 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.947 -5.071 5.494 1.00 0.00 H new ATOM 0 HE2 HIS A 72 3.571 -6.810 7.338 1.00 0.00 H new ATOM 1129 N GLN A 73 -1.938 -6.756 7.796 1.00 0.00 N ATOM 1130 CA GLN A 73 -1.958 -8.195 8.216 1.00 0.00 C ATOM 1131 C GLN A 73 -2.139 -9.056 6.969 1.00 0.00 C ATOM 1132 O GLN A 73 -1.415 -10.004 6.764 1.00 0.00 O ATOM 1133 CB GLN A 73 -3.083 -8.427 9.215 1.00 0.00 C ATOM 1134 CG GLN A 73 -2.942 -9.794 9.882 1.00 0.00 C ATOM 1135 CD GLN A 73 -3.205 -10.907 8.867 1.00 0.00 C ATOM 1136 OE1 GLN A 73 -4.248 -10.946 8.246 1.00 0.00 O ATOM 1137 NE2 GLN A 73 -2.294 -11.821 8.672 1.00 0.00 N ATOM 0 H GLN A 73 -2.423 -6.116 8.425 1.00 0.00 H new ATOM 0 HA GLN A 73 -1.022 -8.465 8.705 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.069 -7.644 9.973 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.045 -8.362 8.707 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.941 -9.902 10.299 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.644 -9.876 10.712 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.418 -11.788 9.194 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.458 -12.569 7.998 1.00 0.00 H new ATOM 1146 N GLN A 74 -3.079 -8.728 6.105 1.00 0.00 N ATOM 1147 CA GLN A 74 -3.222 -9.541 4.860 1.00 0.00 C ATOM 1148 C GLN A 74 -1.808 -9.620 4.274 1.00 0.00 C ATOM 1149 O GLN A 74 -1.192 -10.666 4.215 1.00 0.00 O ATOM 1150 CB GLN A 74 -4.170 -8.820 3.874 1.00 0.00 C ATOM 1151 CG GLN A 74 -5.610 -9.346 4.023 1.00 0.00 C ATOM 1152 CD GLN A 74 -6.000 -9.407 5.503 1.00 0.00 C ATOM 1153 OE1 GLN A 74 -5.534 -8.512 6.328 1.00 0.00 O flip ATOM 1154 NE2 GLN A 74 -6.738 -10.282 5.912 1.00 0.00 N flip ATOM 0 H GLN A 74 -3.734 -7.953 6.208 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.640 -10.529 5.052 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -4.148 -7.746 4.060 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -3.825 -8.974 2.851 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -6.300 -8.697 3.484 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -5.691 -10.337 3.577 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.104 -10.983 5.268 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.992 -10.315 6.899 1.00 0.00 H new ATOM 1163 N LEU A 75 -1.259 -8.459 3.936 1.00 0.00 N ATOM 1164 CA LEU A 75 0.163 -8.360 3.456 1.00 0.00 C ATOM 1165 C LEU A 75 1.090 -9.244 4.305 1.00 0.00 C ATOM 1166 O LEU A 75 1.660 -10.192 3.803 1.00 0.00 O ATOM 1167 CB LEU A 75 0.593 -6.879 3.626 1.00 0.00 C ATOM 1168 CG LEU A 75 1.590 -6.473 2.528 1.00 0.00 C ATOM 1169 CD1 LEU A 75 1.930 -4.990 2.672 1.00 0.00 C ATOM 1170 CD2 LEU A 75 2.867 -7.305 2.667 1.00 0.00 C ATOM 0 H LEU A 75 -1.751 -7.566 3.976 1.00 0.00 H new ATOM 0 HA LEU A 75 0.232 -8.691 2.420 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.284 -6.233 3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.047 -6.737 4.607 1.00 0.00 H new ATOM 0 HG LEU A 75 1.145 -6.650 1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.637 -4.702 1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.021 -4.397 2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.375 -4.812 3.651 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.575 -7.018 1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.312 -7.127 3.646 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.625 -8.363 2.565 1.00 0.00 H new ATOM 1182 N ASP A 76 1.247 -8.926 5.568 1.00 0.00 N ATOM 1183 CA ASP A 76 2.140 -9.715 6.488 1.00 0.00 C ATOM 1184 C ASP A 76 2.368 -11.142 5.995 1.00 0.00 C ATOM 1185 O ASP A 76 3.453 -11.538 5.607 1.00 0.00 O ATOM 1186 CB ASP A 76 1.435 -9.823 7.844 1.00 0.00 C ATOM 1187 CG ASP A 76 2.393 -10.446 8.863 1.00 0.00 C ATOM 1188 OD1 ASP A 76 2.412 -11.661 8.963 1.00 0.00 O ATOM 1189 OD2 ASP A 76 3.090 -9.695 9.525 1.00 0.00 O ATOM 0 H ASP A 76 0.784 -8.134 6.014 1.00 0.00 H new ATOM 0 HA ASP A 76 3.101 -9.204 6.540 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.118 -8.836 8.182 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.536 -10.433 7.752 1.00 0.00 H new ATOM 1194 N SER A 77 1.320 -11.918 6.045 1.00 0.00 N ATOM 1195 CA SER A 77 1.385 -13.338 5.636 1.00 0.00 C ATOM 1196 C SER A 77 1.377 -13.490 4.120 1.00 0.00 C ATOM 1197 O SER A 77 1.953 -14.425 3.599 1.00 0.00 O ATOM 1198 CB SER A 77 0.159 -14.050 6.187 1.00 0.00 C ATOM 1199 OG SER A 77 0.253 -14.128 7.603 1.00 0.00 O ATOM 0 H SER A 77 0.400 -11.612 6.362 1.00 0.00 H new ATOM 0 HA SER A 77 2.312 -13.763 6.022 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.746 -13.513 5.901 1.00 0.00 H new ATOM 0 HB3 SER A 77 0.084 -15.051 5.761 1.00 0.00 H new ATOM 0 HG SER A 77 -0.538 -14.585 7.959 1.00 0.00 H new ATOM 1205 N LEU A 78 0.716 -12.619 3.390 1.00 0.00 N ATOM 1206 CA LEU A 78 0.692 -12.800 1.918 1.00 0.00 C ATOM 1207 C LEU A 78 2.126 -12.989 1.462 1.00 0.00 C ATOM 1208 O LEU A 78 2.484 -14.000 0.892 1.00 0.00 O ATOM 1209 CB LEU A 78 0.062 -11.562 1.247 1.00 0.00 C ATOM 1210 CG LEU A 78 -1.339 -11.892 0.715 1.00 0.00 C ATOM 1211 CD1 LEU A 78 -2.349 -11.862 1.866 1.00 0.00 C ATOM 1212 CD2 LEU A 78 -1.740 -10.863 -0.350 1.00 0.00 C ATOM 0 H LEU A 78 0.206 -11.811 3.748 1.00 0.00 H new ATOM 0 HA LEU A 78 0.092 -13.667 1.640 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.001 -10.744 1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.697 -11.222 0.429 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.330 -12.887 0.271 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.343 -12.097 1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.066 -12.599 2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.358 -10.869 2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.735 -11.099 -0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.746 -9.866 0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.024 -10.892 -1.172 1.00 0.00 H new ATOM 1224 N ILE A 79 2.970 -12.037 1.769 1.00 0.00 N ATOM 1225 CA ILE A 79 4.401 -12.167 1.426 1.00 0.00 C ATOM 1226 C ILE A 79 4.857 -13.546 1.902 1.00 0.00 C ATOM 1227 O ILE A 79 5.356 -14.341 1.131 1.00 0.00 O ATOM 1228 CB ILE A 79 5.156 -11.033 2.170 1.00 0.00 C ATOM 1229 CG1 ILE A 79 5.243 -9.771 1.285 1.00 0.00 C ATOM 1230 CG2 ILE A 79 6.570 -11.466 2.582 1.00 0.00 C ATOM 1231 CD1 ILE A 79 6.004 -10.048 -0.026 1.00 0.00 C ATOM 0 H ILE A 79 2.718 -11.172 2.247 1.00 0.00 H new ATOM 0 HA ILE A 79 4.593 -12.080 0.357 1.00 0.00 H new ATOM 0 HB ILE A 79 4.590 -10.808 3.074 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.238 -9.417 1.055 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.743 -8.974 1.835 1.00 0.00 H new ATOM 0 HG21 ILE A 79 7.066 -10.645 3.100 1.00 0.00 H new ATOM 0 HG22 ILE A 79 6.508 -12.328 3.246 1.00 0.00 H new ATOM 0 HG23 ILE A 79 7.142 -11.733 1.693 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.045 -9.137 -0.623 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.017 -10.377 0.204 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.489 -10.827 -0.588 1.00 0.00 H new ATOM 1243 N SER A 80 4.696 -13.828 3.176 1.00 0.00 N ATOM 1244 CA SER A 80 5.126 -15.155 3.700 1.00 0.00 C ATOM 1245 C SER A 80 4.691 -16.249 2.724 1.00 0.00 C ATOM 1246 O SER A 80 5.456 -17.130 2.380 1.00 0.00 O ATOM 1247 CB SER A 80 4.481 -15.403 5.065 1.00 0.00 C ATOM 1248 OG SER A 80 5.194 -16.431 5.740 1.00 0.00 O ATOM 0 H SER A 80 4.288 -13.198 3.867 1.00 0.00 H new ATOM 0 HA SER A 80 6.211 -15.169 3.807 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.492 -14.488 5.657 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.437 -15.690 4.940 1.00 0.00 H new ATOM 0 HG SER A 80 4.785 -16.592 6.616 1.00 0.00 H new ATOM 1254 N GLU A 81 3.462 -16.209 2.282 1.00 0.00 N ATOM 1255 CA GLU A 81 2.980 -17.254 1.345 1.00 0.00 C ATOM 1256 C GLU A 81 3.362 -16.908 -0.097 1.00 0.00 C ATOM 1257 O GLU A 81 3.313 -17.751 -0.970 1.00 0.00 O ATOM 1258 CB GLU A 81 1.455 -17.342 1.453 1.00 0.00 C ATOM 1259 CG GLU A 81 0.941 -18.515 0.618 1.00 0.00 C ATOM 1260 CD GLU A 81 -0.553 -18.713 0.884 1.00 0.00 C ATOM 1261 OE1 GLU A 81 -0.880 -19.435 1.811 1.00 0.00 O ATOM 1262 OE2 GLU A 81 -1.345 -18.137 0.156 1.00 0.00 O ATOM 0 H GLU A 81 2.775 -15.497 2.531 1.00 0.00 H new ATOM 0 HA GLU A 81 3.440 -18.207 1.607 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.162 -17.470 2.495 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.003 -16.412 1.107 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.111 -18.323 -0.442 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.490 -19.423 0.869 1.00 0.00 H new ATOM 1269 N ALA A 82 3.658 -15.667 -0.406 1.00 0.00 N ATOM 1270 CA ALA A 82 3.935 -15.360 -1.844 1.00 0.00 C ATOM 1271 C ALA A 82 5.328 -15.859 -2.222 1.00 0.00 C ATOM 1272 O ALA A 82 5.573 -16.323 -3.316 1.00 0.00 O ATOM 1273 CB ALA A 82 3.860 -13.852 -2.076 1.00 0.00 C ATOM 0 H ALA A 82 3.718 -14.884 0.245 1.00 0.00 H new ATOM 0 HA ALA A 82 3.189 -15.861 -2.462 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.063 -13.635 -3.125 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.864 -13.493 -1.817 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.600 -13.351 -1.452 1.00 0.00 H new ATOM 1279 N GLU A 83 6.257 -15.709 -1.302 1.00 0.00 N ATOM 1280 CA GLU A 83 7.667 -16.113 -1.569 1.00 0.00 C ATOM 1281 C GLU A 83 7.836 -17.618 -1.367 1.00 0.00 C ATOM 1282 O GLU A 83 8.569 -18.261 -2.092 1.00 0.00 O ATOM 1283 CB GLU A 83 8.606 -15.359 -0.624 1.00 0.00 C ATOM 1284 CG GLU A 83 8.336 -15.796 0.819 1.00 0.00 C ATOM 1285 CD GLU A 83 9.057 -14.854 1.785 1.00 0.00 C ATOM 1286 OE1 GLU A 83 8.861 -13.655 1.670 1.00 0.00 O ATOM 1287 OE2 GLU A 83 9.792 -15.347 2.625 1.00 0.00 O ATOM 0 H GLU A 83 6.091 -15.321 -0.373 1.00 0.00 H new ATOM 0 HA GLU A 83 7.914 -15.867 -2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.644 -15.561 -0.888 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.454 -14.284 -0.724 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.264 -15.786 1.018 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.679 -16.820 0.970 1.00 0.00 H new ATOM 1294 N THR A 84 7.154 -18.205 -0.416 1.00 0.00 N ATOM 1295 CA THR A 84 7.292 -19.676 -0.241 1.00 0.00 C ATOM 1296 C THR A 84 6.944 -20.321 -1.581 1.00 0.00 C ATOM 1297 O THR A 84 7.638 -21.183 -2.082 1.00 0.00 O ATOM 1298 CB THR A 84 6.341 -20.167 0.868 1.00 0.00 C ATOM 1299 OG1 THR A 84 6.734 -21.468 1.278 1.00 0.00 O ATOM 1300 CG2 THR A 84 4.898 -20.208 0.383 1.00 0.00 C ATOM 0 H THR A 84 6.521 -17.738 0.233 1.00 0.00 H new ATOM 0 HA THR A 84 8.306 -19.944 0.057 1.00 0.00 H new ATOM 0 HB THR A 84 6.401 -19.470 1.704 1.00 0.00 H new ATOM 0 HG1 THR A 84 6.133 -21.784 1.985 1.00 0.00 H new ATOM 0 HG21 THR A 84 4.253 -20.558 1.189 1.00 0.00 H new ATOM 0 HG22 THR A 84 4.588 -19.208 0.079 1.00 0.00 H new ATOM 0 HG23 THR A 84 4.819 -20.887 -0.466 1.00 0.00 H new ATOM 1308 N ARG A 85 5.849 -19.882 -2.156 1.00 0.00 N ATOM 1309 CA ARG A 85 5.390 -20.417 -3.470 1.00 0.00 C ATOM 1310 C ARG A 85 6.579 -20.616 -4.405 1.00 0.00 C ATOM 1311 O ARG A 85 6.602 -21.541 -5.194 1.00 0.00 O ATOM 1312 CB ARG A 85 4.413 -19.408 -4.103 1.00 0.00 C ATOM 1313 CG ARG A 85 4.153 -19.739 -5.599 1.00 0.00 C ATOM 1314 CD ARG A 85 5.005 -18.838 -6.515 1.00 0.00 C ATOM 1315 NE ARG A 85 4.794 -19.241 -7.935 1.00 0.00 N ATOM 1316 CZ ARG A 85 5.169 -18.450 -8.902 1.00 0.00 C ATOM 1317 NH1 ARG A 85 5.733 -17.306 -8.628 1.00 0.00 N ATOM 1318 NH2 ARG A 85 4.980 -18.803 -10.144 1.00 0.00 N ATOM 0 H ARG A 85 5.246 -19.162 -1.759 1.00 0.00 H new ATOM 0 HA ARG A 85 4.898 -21.377 -3.315 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.470 -19.419 -3.556 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.820 -18.401 -4.016 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.388 -20.786 -5.791 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.096 -19.602 -5.828 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.728 -17.793 -6.376 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.059 -18.926 -6.253 1.00 0.00 H new ATOM 0 HE ARG A 85 4.356 -20.137 -8.151 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.881 -17.030 -7.657 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.026 -16.688 -9.384 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.539 -19.697 -10.359 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.273 -18.185 -10.900 1.00 0.00 H new ATOM 1332 N GLY A 86 7.570 -19.756 -4.332 1.00 0.00 N ATOM 1333 CA GLY A 86 8.768 -19.893 -5.226 1.00 0.00 C ATOM 1334 C GLY A 86 8.856 -18.683 -6.165 1.00 0.00 C ATOM 1335 O GLY A 86 8.913 -18.827 -7.370 1.00 0.00 O ATOM 0 H GLY A 86 7.601 -18.964 -3.691 1.00 0.00 H new ATOM 0 HA2 GLY A 86 9.675 -19.966 -4.626 1.00 0.00 H new ATOM 0 HA3 GLY A 86 8.696 -20.812 -5.808 1.00 0.00 H new ATOM 1339 N ILE A 87 8.880 -17.489 -5.626 1.00 0.00 N ATOM 1340 CA ILE A 87 8.979 -16.281 -6.497 1.00 0.00 C ATOM 1341 C ILE A 87 10.382 -16.241 -7.124 1.00 0.00 C ATOM 1342 O ILE A 87 10.882 -17.245 -7.590 1.00 0.00 O ATOM 1343 CB ILE A 87 8.697 -15.020 -5.644 1.00 0.00 C ATOM 1344 CG1 ILE A 87 8.324 -13.836 -6.569 1.00 0.00 C ATOM 1345 CG2 ILE A 87 9.915 -14.646 -4.754 1.00 0.00 C ATOM 1346 CD1 ILE A 87 6.956 -14.067 -7.237 1.00 0.00 C ATOM 0 H ILE A 87 8.835 -17.301 -4.625 1.00 0.00 H new ATOM 0 HA ILE A 87 8.244 -16.315 -7.301 1.00 0.00 H new ATOM 0 HB ILE A 87 7.861 -15.240 -4.980 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.299 -12.912 -5.991 1.00 0.00 H new ATOM 0 HG13 ILE A 87 9.090 -13.712 -7.334 1.00 0.00 H new ATOM 0 HG21 ILE A 87 9.679 -13.756 -4.170 1.00 0.00 H new ATOM 0 HG22 ILE A 87 10.141 -15.473 -4.081 1.00 0.00 H new ATOM 0 HG23 ILE A 87 10.780 -14.446 -5.386 1.00 0.00 H new ATOM 0 HD11 ILE A 87 6.718 -13.221 -7.881 1.00 0.00 H new ATOM 0 HD12 ILE A 87 6.992 -14.978 -7.834 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.188 -14.166 -6.469 1.00 0.00 H new ATOM 1358 N THR A 88 11.018 -15.105 -7.135 1.00 0.00 N ATOM 1359 CA THR A 88 12.386 -15.022 -7.717 1.00 0.00 C ATOM 1360 C THR A 88 13.339 -15.813 -6.821 1.00 0.00 C ATOM 1361 O THR A 88 14.385 -15.334 -6.432 1.00 0.00 O ATOM 1362 CB THR A 88 12.835 -13.560 -7.771 1.00 0.00 C ATOM 1363 OG1 THR A 88 12.499 -12.918 -6.549 1.00 0.00 O ATOM 1364 CG2 THR A 88 12.137 -12.851 -8.933 1.00 0.00 C ATOM 0 H THR A 88 10.650 -14.228 -6.766 1.00 0.00 H new ATOM 0 HA THR A 88 12.388 -15.432 -8.727 1.00 0.00 H new ATOM 0 HB THR A 88 13.914 -13.516 -7.920 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.787 -11.982 -6.581 1.00 0.00 H new ATOM 0 HG21 THR A 88 12.458 -11.810 -8.970 1.00 0.00 H new ATOM 0 HG22 THR A 88 12.397 -13.344 -9.869 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.057 -12.893 -8.789 1.00 0.00 H new ATOM 1372 N SER A 89 12.968 -17.014 -6.469 1.00 0.00 N ATOM 1373 CA SER A 89 13.830 -17.832 -5.572 1.00 0.00 C ATOM 1374 C SER A 89 14.192 -16.984 -4.354 1.00 0.00 C ATOM 1375 O SER A 89 15.091 -17.304 -3.614 1.00 0.00 O ATOM 1376 CB SER A 89 15.096 -18.275 -6.306 1.00 0.00 C ATOM 1377 OG SER A 89 15.782 -19.239 -5.517 1.00 0.00 O ATOM 0 H SER A 89 12.102 -17.464 -6.766 1.00 0.00 H new ATOM 0 HA SER A 89 13.295 -18.728 -5.258 1.00 0.00 H new ATOM 0 HB2 SER A 89 14.838 -18.699 -7.277 1.00 0.00 H new ATOM 0 HB3 SER A 89 15.741 -17.416 -6.494 1.00 0.00 H new ATOM 0 HG SER A 89 15.776 -18.958 -4.578 1.00 0.00 H new ATOM 1383 N TYR A 90 13.426 -15.938 -4.144 1.00 0.00 N ATOM 1384 CA TYR A 90 13.577 -15.005 -2.973 1.00 0.00 C ATOM 1385 C TYR A 90 15.010 -14.834 -2.436 1.00 0.00 C ATOM 1386 O TYR A 90 15.763 -15.765 -2.261 1.00 0.00 O ATOM 1387 CB TYR A 90 12.712 -15.524 -1.818 1.00 0.00 C ATOM 1388 CG TYR A 90 12.950 -17.006 -1.650 1.00 0.00 C ATOM 1389 CD1 TYR A 90 13.979 -17.459 -0.815 1.00 0.00 C ATOM 1390 CD2 TYR A 90 12.148 -17.928 -2.334 1.00 0.00 C ATOM 1391 CE1 TYR A 90 14.205 -18.832 -0.664 1.00 0.00 C ATOM 1392 CE2 TYR A 90 12.373 -19.301 -2.182 1.00 0.00 C ATOM 1393 CZ TYR A 90 13.402 -19.753 -1.347 1.00 0.00 C ATOM 1394 OH TYR A 90 13.626 -21.107 -1.199 1.00 0.00 O ATOM 0 H TYR A 90 12.663 -15.680 -4.769 1.00 0.00 H new ATOM 0 HA TYR A 90 13.270 -14.028 -3.346 1.00 0.00 H new ATOM 0 HB2 TYR A 90 12.959 -14.997 -0.897 1.00 0.00 H new ATOM 0 HB3 TYR A 90 11.658 -15.333 -2.022 1.00 0.00 H new ATOM 0 HD1 TYR A 90 14.598 -16.749 -0.287 1.00 0.00 H new ATOM 0 HD2 TYR A 90 11.355 -17.579 -2.979 1.00 0.00 H new ATOM 0 HE1 TYR A 90 14.999 -19.181 -0.020 1.00 0.00 H new ATOM 0 HE2 TYR A 90 11.753 -20.012 -2.709 1.00 0.00 H new ATOM 0 HH TYR A 90 12.980 -21.607 -1.741 1.00 0.00 H new ATOM 1404 N ASN A 91 15.321 -13.637 -2.023 1.00 0.00 N ATOM 1405 CA ASN A 91 16.620 -13.407 -1.344 1.00 0.00 C ATOM 1406 C ASN A 91 16.716 -11.929 -0.909 1.00 0.00 C ATOM 1407 O ASN A 91 17.085 -11.664 0.209 1.00 0.00 O ATOM 1408 CB ASN A 91 17.811 -13.858 -2.219 1.00 0.00 C ATOM 1409 CG ASN A 91 18.537 -15.044 -1.570 1.00 0.00 C ATOM 1410 OD1 ASN A 91 19.351 -14.863 -0.686 1.00 0.00 O ATOM 1411 ND2 ASN A 91 18.276 -16.256 -1.978 1.00 0.00 N ATOM 0 H ASN A 91 14.731 -12.811 -2.127 1.00 0.00 H new ATOM 0 HA ASN A 91 16.671 -14.024 -0.447 1.00 0.00 H new ATOM 0 HB2 ASN A 91 17.455 -14.140 -3.210 1.00 0.00 H new ATOM 0 HB3 ASN A 91 18.505 -13.029 -2.354 1.00 0.00 H new ATOM 0 HD21 ASN A 91 18.755 -17.051 -1.555 1.00 0.00 H new ATOM 0 HD22 ASN A 91 17.593 -16.408 -2.720 1.00 0.00 H new ATOM 1418 N PRO A 92 16.363 -11.001 -1.768 1.00 0.00 N ATOM 1419 CA PRO A 92 16.392 -9.575 -1.387 1.00 0.00 C ATOM 1420 C PRO A 92 15.360 -9.313 -0.280 1.00 0.00 C ATOM 1421 O PRO A 92 15.624 -8.597 0.666 1.00 0.00 O ATOM 1422 CB PRO A 92 16.054 -8.815 -2.689 1.00 0.00 C ATOM 1423 CG PRO A 92 16.002 -9.874 -3.831 1.00 0.00 C ATOM 1424 CD PRO A 92 15.951 -11.264 -3.160 1.00 0.00 C ATOM 0 HA PRO A 92 17.353 -9.255 -0.986 1.00 0.00 H new ATOM 0 HB2 PRO A 92 15.099 -8.298 -2.598 1.00 0.00 H new ATOM 0 HB3 PRO A 92 16.808 -8.056 -2.900 1.00 0.00 H new ATOM 0 HG2 PRO A 92 15.126 -9.718 -4.461 1.00 0.00 H new ATOM 0 HG3 PRO A 92 16.877 -9.789 -4.475 1.00 0.00 H new ATOM 0 HD2 PRO A 92 14.950 -11.693 -3.206 1.00 0.00 H new ATOM 0 HD3 PRO A 92 16.623 -11.969 -3.649 1.00 0.00 H new ATOM 1432 N LEU A 93 14.198 -9.927 -0.370 1.00 0.00 N ATOM 1433 CA LEU A 93 13.172 -9.752 0.709 1.00 0.00 C ATOM 1434 C LEU A 93 13.881 -9.971 2.026 1.00 0.00 C ATOM 1435 O LEU A 93 13.881 -9.105 2.862 1.00 0.00 O ATOM 1436 CB LEU A 93 12.032 -10.767 0.526 1.00 0.00 C ATOM 1437 CG LEU A 93 11.712 -10.910 -0.984 1.00 0.00 C ATOM 1438 CD1 LEU A 93 12.506 -12.081 -1.586 1.00 0.00 C ATOM 1439 CD2 LEU A 93 10.207 -11.143 -1.190 1.00 0.00 C ATOM 0 H LEU A 93 13.920 -10.537 -1.139 1.00 0.00 H new ATOM 0 HA LEU A 93 12.728 -8.757 0.674 1.00 0.00 H new ATOM 0 HB2 LEU A 93 12.319 -11.733 0.942 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.146 -10.437 1.068 1.00 0.00 H new ATOM 0 HG LEU A 93 12.000 -9.987 -1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 93 12.273 -12.171 -2.647 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.574 -11.898 -1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.235 -13.005 -1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.996 -11.242 -2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.906 -12.055 -0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 93 9.649 -10.298 -0.787 1.00 0.00 H new ATOM 1451 N ALA A 94 14.479 -11.138 2.160 1.00 0.00 N ATOM 1452 CA ALA A 94 15.270 -11.536 3.381 1.00 0.00 C ATOM 1453 C ALA A 94 15.411 -10.358 4.350 1.00 0.00 C ATOM 1454 O ALA A 94 15.076 -10.434 5.516 1.00 0.00 O ATOM 1455 CB ALA A 94 16.655 -11.936 2.892 1.00 0.00 C ATOM 0 H ALA A 94 14.450 -11.862 1.442 1.00 0.00 H new ATOM 0 HA ALA A 94 14.767 -12.348 3.906 1.00 0.00 H new ATOM 0 HB1 ALA A 94 17.269 -12.234 3.742 1.00 0.00 H new ATOM 0 HB2 ALA A 94 16.568 -12.771 2.197 1.00 0.00 H new ATOM 0 HB3 ALA A 94 17.121 -11.090 2.387 1.00 0.00 H new ATOM 1461 N GLY A 95 15.860 -9.247 3.822 1.00 0.00 N ATOM 1462 CA GLY A 95 15.986 -7.999 4.631 1.00 0.00 C ATOM 1463 C GLY A 95 14.566 -7.533 5.007 1.00 0.00 C ATOM 1464 O GLY A 95 13.654 -8.334 5.004 1.00 0.00 O ATOM 0 H GLY A 95 16.149 -9.152 2.848 1.00 0.00 H new ATOM 0 HA2 GLY A 95 16.577 -8.184 5.528 1.00 0.00 H new ATOM 0 HA3 GLY A 95 16.503 -7.226 4.062 1.00 0.00 H new ATOM 1468 N PRO A 96 14.392 -6.270 5.342 1.00 0.00 N ATOM 1469 CA PRO A 96 13.050 -5.774 5.718 1.00 0.00 C ATOM 1470 C PRO A 96 12.182 -5.663 4.444 1.00 0.00 C ATOM 1471 O PRO A 96 12.697 -5.794 3.351 1.00 0.00 O ATOM 1472 CB PRO A 96 13.318 -4.391 6.346 1.00 0.00 C ATOM 1473 CG PRO A 96 14.818 -4.044 6.075 1.00 0.00 C ATOM 1474 CD PRO A 96 15.474 -5.281 5.414 1.00 0.00 C ATOM 0 HA PRO A 96 12.515 -6.426 6.409 1.00 0.00 H new ATOM 0 HB2 PRO A 96 12.664 -3.637 5.909 1.00 0.00 H new ATOM 0 HB3 PRO A 96 13.114 -4.408 7.417 1.00 0.00 H new ATOM 0 HG2 PRO A 96 14.898 -3.174 5.423 1.00 0.00 H new ATOM 0 HG3 PRO A 96 15.327 -3.792 7.006 1.00 0.00 H new ATOM 0 HD2 PRO A 96 15.863 -5.044 4.424 1.00 0.00 H new ATOM 0 HD3 PRO A 96 16.312 -5.650 6.005 1.00 0.00 H new ATOM 1482 N LEU A 97 10.894 -5.402 4.531 1.00 0.00 N ATOM 1483 CA LEU A 97 10.099 -5.273 3.264 1.00 0.00 C ATOM 1484 C LEU A 97 10.403 -3.902 2.635 1.00 0.00 C ATOM 1485 O LEU A 97 10.766 -3.815 1.475 1.00 0.00 O ATOM 1486 CB LEU A 97 8.602 -5.401 3.560 1.00 0.00 C ATOM 1487 CG LEU A 97 8.244 -6.871 3.799 1.00 0.00 C ATOM 1488 CD1 LEU A 97 9.149 -7.455 4.889 1.00 0.00 C ATOM 1489 CD2 LEU A 97 6.781 -6.968 4.241 1.00 0.00 C ATOM 0 H LEU A 97 10.372 -5.276 5.398 1.00 0.00 H new ATOM 0 HA LEU A 97 10.375 -6.068 2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.343 -4.807 4.437 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.022 -5.007 2.725 1.00 0.00 H new ATOM 0 HG LEU A 97 8.387 -7.434 2.877 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.890 -8.501 5.055 1.00 0.00 H new ATOM 0 HD12 LEU A 97 10.190 -7.384 4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.011 -6.896 5.814 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.521 -8.013 4.412 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.641 -6.403 5.163 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.138 -6.557 3.463 1.00 0.00 H new ATOM 1501 N ARG A 98 10.213 -2.825 3.369 1.00 0.00 N ATOM 1502 CA ARG A 98 10.481 -1.452 2.810 1.00 0.00 C ATOM 1503 C ARG A 98 11.752 -1.498 1.943 1.00 0.00 C ATOM 1504 O ARG A 98 11.953 -0.707 1.051 1.00 0.00 O ATOM 1505 CB ARG A 98 10.712 -0.475 3.979 1.00 0.00 C ATOM 1506 CG ARG A 98 9.367 0.029 4.519 1.00 0.00 C ATOM 1507 CD ARG A 98 9.567 0.692 5.886 1.00 0.00 C ATOM 1508 NE ARG A 98 10.304 -0.233 6.813 1.00 0.00 N ATOM 1509 CZ ARG A 98 9.855 -1.428 7.095 1.00 0.00 C ATOM 1510 NH1 ARG A 98 8.656 -1.790 6.729 1.00 0.00 N ATOM 1511 NH2 ARG A 98 10.591 -2.246 7.796 1.00 0.00 N ATOM 0 H ARG A 98 9.883 -2.837 4.334 1.00 0.00 H new ATOM 0 HA ARG A 98 9.633 -1.125 2.208 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.269 -0.972 4.774 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.317 0.368 3.645 1.00 0.00 H new ATOM 0 HG2 ARG A 98 8.929 0.742 3.820 1.00 0.00 H new ATOM 0 HG3 ARG A 98 8.667 -0.802 4.607 1.00 0.00 H new ATOM 0 HD2 ARG A 98 10.125 1.621 5.769 1.00 0.00 H new ATOM 0 HD3 ARG A 98 8.600 0.953 6.316 1.00 0.00 H new ATOM 0 HE ARG A 98 11.179 0.080 7.234 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.060 -1.138 6.218 1.00 0.00 H new ATOM 0 HH12 ARG A 98 8.315 -2.725 6.954 1.00 0.00 H new ATOM 0 HH21 ARG A 98 11.512 -1.952 8.121 1.00 0.00 H new ATOM 0 HH22 ARG A 98 10.245 -3.179 8.019 1.00 0.00 H new ATOM 1525 N VAL A 99 12.578 -2.468 2.210 1.00 0.00 N ATOM 1526 CA VAL A 99 13.831 -2.648 1.425 1.00 0.00 C ATOM 1527 C VAL A 99 13.447 -3.228 0.057 1.00 0.00 C ATOM 1528 O VAL A 99 13.956 -2.827 -0.971 1.00 0.00 O ATOM 1529 CB VAL A 99 14.795 -3.595 2.214 1.00 0.00 C ATOM 1530 CG1 VAL A 99 15.274 -4.778 1.351 1.00 0.00 C ATOM 1531 CG2 VAL A 99 16.031 -2.808 2.694 1.00 0.00 C ATOM 0 H VAL A 99 12.437 -3.155 2.950 1.00 0.00 H new ATOM 0 HA VAL A 99 14.352 -1.703 1.272 1.00 0.00 H new ATOM 0 HB VAL A 99 14.235 -3.987 3.063 1.00 0.00 H new ATOM 0 HG11 VAL A 99 15.941 -5.410 1.938 1.00 0.00 H new ATOM 0 HG12 VAL A 99 14.414 -5.363 1.025 1.00 0.00 H new ATOM 0 HG13 VAL A 99 15.807 -4.400 0.479 1.00 0.00 H new ATOM 0 HG21 VAL A 99 16.697 -3.475 3.242 1.00 0.00 H new ATOM 0 HG22 VAL A 99 16.558 -2.397 1.833 1.00 0.00 H new ATOM 0 HG23 VAL A 99 15.714 -1.995 3.347 1.00 0.00 H new ATOM 1541 N GLN A 100 12.548 -4.165 0.050 1.00 0.00 N ATOM 1542 CA GLN A 100 12.107 -4.785 -1.229 1.00 0.00 C ATOM 1543 C GLN A 100 11.783 -3.712 -2.264 1.00 0.00 C ATOM 1544 O GLN A 100 12.340 -3.698 -3.343 1.00 0.00 O ATOM 1545 CB GLN A 100 10.843 -5.619 -0.990 1.00 0.00 C ATOM 1546 CG GLN A 100 11.215 -6.904 -0.265 1.00 0.00 C ATOM 1547 CD GLN A 100 9.947 -7.673 0.108 1.00 0.00 C ATOM 1548 OE1 GLN A 100 9.837 -8.188 1.202 1.00 0.00 O ATOM 1549 NE2 GLN A 100 8.981 -7.777 -0.762 1.00 0.00 N ATOM 0 H GLN A 100 12.093 -4.534 0.885 1.00 0.00 H new ATOM 0 HA GLN A 100 12.917 -5.415 -1.597 1.00 0.00 H new ATOM 0 HB2 GLN A 100 10.125 -5.050 -0.399 1.00 0.00 H new ATOM 0 HB3 GLN A 100 10.362 -5.851 -1.940 1.00 0.00 H new ATOM 0 HG2 GLN A 100 11.851 -7.520 -0.900 1.00 0.00 H new ATOM 0 HG3 GLN A 100 11.789 -6.673 0.633 1.00 0.00 H new ATOM 0 HE21 GLN A 100 9.074 -7.344 -1.681 1.00 0.00 H new ATOM 0 HE22 GLN A 100 8.133 -8.291 -0.523 1.00 0.00 H new ATOM 1558 N ALA A 101 10.844 -2.844 -1.975 1.00 0.00 N ATOM 1559 CA ALA A 101 10.452 -1.814 -3.003 1.00 0.00 C ATOM 1560 C ALA A 101 11.334 -0.561 -2.924 1.00 0.00 C ATOM 1561 O ALA A 101 11.653 0.019 -3.943 1.00 0.00 O ATOM 1562 CB ALA A 101 8.975 -1.442 -2.837 1.00 0.00 C ATOM 0 H ALA A 101 10.337 -2.799 -1.091 1.00 0.00 H new ATOM 0 HA ALA A 101 10.603 -2.254 -3.989 1.00 0.00 H new ATOM 0 HB1 ALA A 101 8.701 -0.697 -3.584 1.00 0.00 H new ATOM 0 HB2 ALA A 101 8.359 -2.331 -2.968 1.00 0.00 H new ATOM 0 HB3 ALA A 101 8.813 -1.032 -1.840 1.00 0.00 H new ATOM 1568 N ASN A 102 11.755 -0.131 -1.775 1.00 0.00 N ATOM 1569 CA ASN A 102 12.629 1.078 -1.753 1.00 0.00 C ATOM 1570 C ASN A 102 13.994 0.696 -2.336 1.00 0.00 C ATOM 1571 O ASN A 102 15.026 1.099 -1.837 1.00 0.00 O ATOM 1572 CB ASN A 102 12.809 1.589 -0.321 1.00 0.00 C ATOM 1573 CG ASN A 102 11.440 1.742 0.345 1.00 0.00 C ATOM 1574 OD1 ASN A 102 10.361 1.700 -0.388 1.00 0.00 O flip ATOM 1575 ND2 ASN A 102 11.351 1.903 1.547 1.00 0.00 N flip ATOM 0 H ASN A 102 11.542 -0.547 -0.868 1.00 0.00 H new ATOM 0 HA ASN A 102 12.168 1.870 -2.343 1.00 0.00 H new ATOM 0 HB2 ASN A 102 13.426 0.895 0.249 1.00 0.00 H new ATOM 0 HB3 ASN A 102 13.330 2.546 -0.328 1.00 0.00 H new ATOM 0 HD21 ASN A 102 12.194 1.936 2.121 1.00 0.00 H new ATOM 0 HD22 ASN A 102 10.434 2.005 1.981 1.00 0.00 H new ATOM 1582 N ASN A 103 14.005 -0.098 -3.385 1.00 0.00 N ATOM 1583 CA ASN A 103 15.298 -0.533 -4.002 1.00 0.00 C ATOM 1584 C ASN A 103 15.179 -0.498 -5.540 1.00 0.00 C ATOM 1585 O ASN A 103 14.835 -1.500 -6.136 1.00 0.00 O ATOM 1586 CB ASN A 103 15.589 -1.971 -3.567 1.00 0.00 C ATOM 1587 CG ASN A 103 16.948 -2.410 -4.119 1.00 0.00 C ATOM 1588 OD1 ASN A 103 17.796 -1.507 -4.531 1.00 0.00 O flip ATOM 1589 ND2 ASN A 103 17.241 -3.588 -4.175 1.00 0.00 N flip ATOM 0 H ASN A 103 13.169 -0.463 -3.840 1.00 0.00 H new ATOM 0 HA ASN A 103 16.098 0.135 -3.682 1.00 0.00 H new ATOM 0 HB2 ASN A 103 15.588 -2.040 -2.479 1.00 0.00 H new ATOM 0 HB3 ASN A 103 14.806 -2.637 -3.929 1.00 0.00 H new ATOM 0 HD21 ASN A 103 16.579 -4.294 -3.853 1.00 0.00 H new ATOM 0 HD22 ASN A 103 18.149 -3.871 -4.544 1.00 0.00 H new ATOM 1596 N PRO A 104 15.458 0.638 -6.154 1.00 0.00 N ATOM 1597 CA PRO A 104 15.365 0.760 -7.624 1.00 0.00 C ATOM 1598 C PRO A 104 16.285 -0.264 -8.308 1.00 0.00 C ATOM 1599 O PRO A 104 15.986 -0.749 -9.382 1.00 0.00 O ATOM 1600 CB PRO A 104 15.797 2.215 -7.932 1.00 0.00 C ATOM 1601 CG PRO A 104 15.964 2.945 -6.569 1.00 0.00 C ATOM 1602 CD PRO A 104 15.880 1.876 -5.459 1.00 0.00 C ATOM 0 HA PRO A 104 14.362 0.556 -7.998 1.00 0.00 H new ATOM 0 HB2 PRO A 104 16.732 2.228 -8.492 1.00 0.00 H new ATOM 0 HB3 PRO A 104 15.050 2.716 -8.547 1.00 0.00 H new ATOM 0 HG2 PRO A 104 16.920 3.467 -6.528 1.00 0.00 H new ATOM 0 HG3 PRO A 104 15.185 3.696 -6.438 1.00 0.00 H new ATOM 0 HD2 PRO A 104 16.842 1.743 -4.965 1.00 0.00 H new ATOM 0 HD3 PRO A 104 15.163 2.161 -4.689 1.00 0.00 H new ATOM 1610 N GLN A 105 17.391 -0.605 -7.706 1.00 0.00 N ATOM 1611 CA GLN A 105 18.295 -1.602 -8.348 1.00 0.00 C ATOM 1612 C GLN A 105 17.561 -2.941 -8.455 1.00 0.00 C ATOM 1613 O GLN A 105 17.914 -3.798 -9.241 1.00 0.00 O ATOM 1614 CB GLN A 105 19.562 -1.770 -7.508 1.00 0.00 C ATOM 1615 CG GLN A 105 20.243 -0.411 -7.336 1.00 0.00 C ATOM 1616 CD GLN A 105 21.585 -0.597 -6.626 1.00 0.00 C ATOM 1617 OE1 GLN A 105 22.318 -1.639 -6.907 1.00 0.00 O flip ATOM 1618 NE2 GLN A 105 21.969 0.214 -5.807 1.00 0.00 N flip ATOM 0 H GLN A 105 17.706 -0.241 -6.807 1.00 0.00 H new ATOM 0 HA GLN A 105 18.576 -1.257 -9.343 1.00 0.00 H new ATOM 0 HB2 GLN A 105 19.312 -2.190 -6.534 1.00 0.00 H new ATOM 0 HB3 GLN A 105 20.242 -2.471 -7.992 1.00 0.00 H new ATOM 0 HG2 GLN A 105 20.396 0.056 -8.309 1.00 0.00 H new ATOM 0 HG3 GLN A 105 19.604 0.257 -6.759 1.00 0.00 H new ATOM 0 HE21 GLN A 105 21.395 1.028 -5.588 1.00 0.00 H new ATOM 0 HE22 GLN A 105 22.865 0.081 -5.338 1.00 0.00 H new ATOM 1627 N GLN A 106 16.529 -3.117 -7.672 1.00 0.00 N ATOM 1628 CA GLN A 106 15.738 -4.384 -7.713 1.00 0.00 C ATOM 1629 C GLN A 106 14.256 -4.026 -7.601 1.00 0.00 C ATOM 1630 O GLN A 106 13.620 -4.287 -6.600 1.00 0.00 O ATOM 1631 CB GLN A 106 16.130 -5.278 -6.531 1.00 0.00 C ATOM 1632 CG GLN A 106 17.646 -5.483 -6.515 1.00 0.00 C ATOM 1633 CD GLN A 106 18.075 -6.225 -7.781 1.00 0.00 C ATOM 1634 OE1 GLN A 106 18.962 -5.786 -8.486 1.00 0.00 O ATOM 1635 NE2 GLN A 106 17.480 -7.342 -8.102 1.00 0.00 N ATOM 0 H GLN A 106 16.196 -2.428 -6.997 1.00 0.00 H new ATOM 0 HA GLN A 106 15.935 -4.917 -8.643 1.00 0.00 H new ATOM 0 HB2 GLN A 106 15.806 -4.822 -5.596 1.00 0.00 H new ATOM 0 HB3 GLN A 106 15.625 -6.241 -6.608 1.00 0.00 H new ATOM 0 HG2 GLN A 106 18.153 -4.520 -6.456 1.00 0.00 H new ATOM 0 HG3 GLN A 106 17.937 -6.051 -5.632 1.00 0.00 H new ATOM 0 HE21 GLN A 106 16.735 -7.711 -7.511 1.00 0.00 H new ATOM 0 HE22 GLN A 106 17.760 -7.845 -8.944 1.00 0.00 H new ATOM 1644 N GLN A 107 13.705 -3.410 -8.611 1.00 0.00 N ATOM 1645 CA GLN A 107 12.270 -3.011 -8.552 1.00 0.00 C ATOM 1646 C GLN A 107 11.363 -4.208 -8.874 1.00 0.00 C ATOM 1647 O GLN A 107 10.160 -4.129 -8.743 1.00 0.00 O ATOM 1648 CB GLN A 107 12.014 -1.896 -9.572 1.00 0.00 C ATOM 1649 CG GLN A 107 12.520 -2.330 -10.951 1.00 0.00 C ATOM 1650 CD GLN A 107 12.230 -1.229 -11.973 1.00 0.00 C ATOM 1651 OE1 GLN A 107 11.132 -0.713 -12.034 1.00 0.00 O ATOM 1652 NE2 GLN A 107 13.177 -0.846 -12.786 1.00 0.00 N ATOM 0 H GLN A 107 14.187 -3.165 -9.476 1.00 0.00 H new ATOM 0 HA GLN A 107 12.044 -2.659 -7.545 1.00 0.00 H new ATOM 0 HB2 GLN A 107 10.948 -1.671 -9.619 1.00 0.00 H new ATOM 0 HB3 GLN A 107 12.519 -0.982 -9.260 1.00 0.00 H new ATOM 0 HG2 GLN A 107 13.591 -2.530 -10.910 1.00 0.00 H new ATOM 0 HG3 GLN A 107 12.034 -3.258 -11.253 1.00 0.00 H new ATOM 0 HE21 GLN A 107 14.099 -1.279 -12.735 1.00 0.00 H new ATOM 0 HE22 GLN A 107 12.995 -0.114 -13.472 1.00 0.00 H new ATOM 1661 N GLY A 108 11.913 -5.323 -9.281 1.00 0.00 N ATOM 1662 CA GLY A 108 11.039 -6.502 -9.582 1.00 0.00 C ATOM 1663 C GLY A 108 10.116 -6.725 -8.383 1.00 0.00 C ATOM 1664 O GLY A 108 8.936 -6.976 -8.512 1.00 0.00 O ATOM 0 H GLY A 108 12.913 -5.470 -9.417 1.00 0.00 H new ATOM 0 HA2 GLY A 108 10.455 -6.323 -10.484 1.00 0.00 H new ATOM 0 HA3 GLY A 108 11.646 -7.389 -9.766 1.00 0.00 H new ATOM 1668 N LEU A 109 10.671 -6.616 -7.218 1.00 0.00 N ATOM 1669 CA LEU A 109 9.875 -6.789 -5.975 1.00 0.00 C ATOM 1670 C LEU A 109 9.071 -5.517 -5.702 1.00 0.00 C ATOM 1671 O LEU A 109 8.386 -5.417 -4.709 1.00 0.00 O ATOM 1672 CB LEU A 109 10.808 -7.092 -4.807 1.00 0.00 C ATOM 1673 CG LEU A 109 11.555 -8.402 -5.090 1.00 0.00 C ATOM 1674 CD1 LEU A 109 12.615 -8.626 -4.007 1.00 0.00 C ATOM 1675 CD2 LEU A 109 10.562 -9.586 -5.119 1.00 0.00 C ATOM 0 H LEU A 109 11.659 -6.411 -7.068 1.00 0.00 H new ATOM 0 HA LEU A 109 9.183 -7.623 -6.095 1.00 0.00 H new ATOM 0 HB2 LEU A 109 11.518 -6.276 -4.671 1.00 0.00 H new ATOM 0 HB3 LEU A 109 10.238 -7.176 -3.882 1.00 0.00 H new ATOM 0 HG LEU A 109 12.043 -8.337 -6.063 1.00 0.00 H new ATOM 0 HD11 LEU A 109 13.147 -9.556 -4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 109 13.321 -7.796 -4.012 1.00 0.00 H new ATOM 0 HD13 LEU A 109 12.132 -8.686 -3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 109 11.104 -10.510 -5.321 1.00 0.00 H new ATOM 0 HD22 LEU A 109 10.059 -9.663 -4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 109 9.822 -9.421 -5.902 1.00 0.00 H new ATOM 1687 N ARG A 110 9.117 -4.556 -6.592 1.00 0.00 N ATOM 1688 CA ARG A 110 8.313 -3.306 -6.399 1.00 0.00 C ATOM 1689 C ARG A 110 7.024 -3.428 -7.219 1.00 0.00 C ATOM 1690 O ARG A 110 5.967 -3.012 -6.785 1.00 0.00 O ATOM 1691 CB ARG A 110 9.109 -2.072 -6.849 1.00 0.00 C ATOM 1692 CG ARG A 110 8.294 -0.802 -6.582 1.00 0.00 C ATOM 1693 CD ARG A 110 9.072 0.420 -7.075 1.00 0.00 C ATOM 1694 NE ARG A 110 10.370 0.514 -6.348 1.00 0.00 N ATOM 1695 CZ ARG A 110 11.316 1.292 -6.801 1.00 0.00 C ATOM 1696 NH1 ARG A 110 11.126 1.985 -7.890 1.00 0.00 N ATOM 1697 NH2 ARG A 110 12.452 1.376 -6.164 1.00 0.00 N ATOM 0 H ARG A 110 9.676 -4.582 -7.445 1.00 0.00 H new ATOM 0 HA ARG A 110 8.077 -3.184 -5.342 1.00 0.00 H new ATOM 0 HB2 ARG A 110 10.058 -2.025 -6.314 1.00 0.00 H new ATOM 0 HB3 ARG A 110 9.345 -2.147 -7.911 1.00 0.00 H new ATOM 0 HG2 ARG A 110 7.331 -0.862 -7.090 1.00 0.00 H new ATOM 0 HG3 ARG A 110 8.087 -0.708 -5.516 1.00 0.00 H new ATOM 0 HD2 ARG A 110 9.249 0.342 -8.148 1.00 0.00 H new ATOM 0 HD3 ARG A 110 8.487 1.325 -6.914 1.00 0.00 H new ATOM 0 HE ARG A 110 10.519 -0.029 -5.497 1.00 0.00 H new ATOM 0 HH11 ARG A 110 10.238 1.919 -8.388 1.00 0.00 H new ATOM 0 HH12 ARG A 110 11.865 2.593 -8.243 1.00 0.00 H new ATOM 0 HH21 ARG A 110 12.601 0.834 -5.313 1.00 0.00 H new ATOM 0 HH22 ARG A 110 13.191 1.984 -6.517 1.00 0.00 H new ATOM 1711 N ARG A 111 7.076 -4.047 -8.367 1.00 0.00 N ATOM 1712 CA ARG A 111 5.820 -4.229 -9.155 1.00 0.00 C ATOM 1713 C ARG A 111 5.094 -5.451 -8.596 1.00 0.00 C ATOM 1714 O ARG A 111 3.881 -5.523 -8.614 1.00 0.00 O ATOM 1715 CB ARG A 111 6.125 -4.400 -10.655 1.00 0.00 C ATOM 1716 CG ARG A 111 7.192 -5.499 -10.889 1.00 0.00 C ATOM 1717 CD ARG A 111 6.524 -6.834 -11.243 1.00 0.00 C ATOM 1718 NE ARG A 111 6.065 -6.793 -12.661 1.00 0.00 N ATOM 1719 CZ ARG A 111 5.743 -7.897 -13.277 1.00 0.00 C ATOM 1720 NH1 ARG A 111 5.822 -9.040 -12.652 1.00 0.00 N ATOM 1721 NH2 ARG A 111 5.343 -7.858 -14.518 1.00 0.00 N ATOM 0 H ARG A 111 7.921 -4.431 -8.790 1.00 0.00 H new ATOM 0 HA ARG A 111 5.189 -3.345 -9.065 1.00 0.00 H new ATOM 0 HB2 ARG A 111 5.210 -4.659 -11.187 1.00 0.00 H new ATOM 0 HB3 ARG A 111 6.477 -3.454 -11.067 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.862 -5.197 -11.694 1.00 0.00 H new ATOM 0 HG3 ARG A 111 7.802 -5.618 -9.994 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.227 -7.655 -11.099 1.00 0.00 H new ATOM 0 HD3 ARG A 111 5.679 -7.018 -10.580 1.00 0.00 H new ATOM 0 HE ARG A 111 6.003 -5.900 -13.150 1.00 0.00 H new ATOM 0 HH11 ARG A 111 6.135 -9.070 -11.682 1.00 0.00 H new ATOM 0 HH12 ARG A 111 5.570 -9.903 -13.134 1.00 0.00 H new ATOM 0 HH21 ARG A 111 5.282 -6.965 -15.006 1.00 0.00 H new ATOM 0 HH22 ARG A 111 5.091 -8.721 -15.000 1.00 0.00 H new ATOM 1735 N GLU A 112 5.816 -6.393 -8.053 1.00 0.00 N ATOM 1736 CA GLU A 112 5.145 -7.575 -7.446 1.00 0.00 C ATOM 1737 C GLU A 112 4.589 -7.139 -6.087 1.00 0.00 C ATOM 1738 O GLU A 112 3.432 -7.344 -5.779 1.00 0.00 O ATOM 1739 CB GLU A 112 6.158 -8.717 -7.263 1.00 0.00 C ATOM 1740 CG GLU A 112 5.588 -9.796 -6.319 1.00 0.00 C ATOM 1741 CD GLU A 112 5.851 -9.407 -4.860 1.00 0.00 C ATOM 1742 OE1 GLU A 112 7.001 -9.445 -4.455 1.00 0.00 O ATOM 1743 OE2 GLU A 112 4.897 -9.081 -4.175 1.00 0.00 O ATOM 0 H GLU A 112 6.835 -6.395 -8.004 1.00 0.00 H new ATOM 0 HA GLU A 112 4.343 -7.936 -8.089 1.00 0.00 H new ATOM 0 HB2 GLU A 112 6.395 -9.160 -8.230 1.00 0.00 H new ATOM 0 HB3 GLU A 112 7.089 -8.324 -6.856 1.00 0.00 H new ATOM 0 HG2 GLU A 112 4.517 -9.909 -6.487 1.00 0.00 H new ATOM 0 HG3 GLU A 112 6.048 -10.760 -6.536 1.00 0.00 H new ATOM 1750 N TYR A 113 5.411 -6.521 -5.280 1.00 0.00 N ATOM 1751 CA TYR A 113 4.940 -6.048 -3.947 1.00 0.00 C ATOM 1752 C TYR A 113 3.735 -5.132 -4.148 1.00 0.00 C ATOM 1753 O TYR A 113 2.937 -4.933 -3.252 1.00 0.00 O ATOM 1754 CB TYR A 113 6.059 -5.275 -3.246 1.00 0.00 C ATOM 1755 CG TYR A 113 5.540 -4.668 -1.964 1.00 0.00 C ATOM 1756 CD1 TYR A 113 4.951 -3.398 -1.979 1.00 0.00 C ATOM 1757 CD2 TYR A 113 5.654 -5.373 -0.759 1.00 0.00 C ATOM 1758 CE1 TYR A 113 4.476 -2.833 -0.790 1.00 0.00 C ATOM 1759 CE2 TYR A 113 5.180 -4.806 0.430 1.00 0.00 C ATOM 1760 CZ TYR A 113 4.590 -3.536 0.414 1.00 0.00 C ATOM 1761 OH TYR A 113 4.125 -2.977 1.587 1.00 0.00 O ATOM 0 H TYR A 113 6.390 -6.324 -5.488 1.00 0.00 H new ATOM 0 HA TYR A 113 4.660 -6.903 -3.331 1.00 0.00 H new ATOM 0 HB2 TYR A 113 6.894 -5.942 -3.031 1.00 0.00 H new ATOM 0 HB3 TYR A 113 6.438 -4.491 -3.902 1.00 0.00 H new ATOM 0 HD1 TYR A 113 4.863 -2.854 -2.908 1.00 0.00 H new ATOM 0 HD2 TYR A 113 6.107 -6.353 -0.747 1.00 0.00 H new ATOM 0 HE1 TYR A 113 4.021 -1.854 -0.802 1.00 0.00 H new ATOM 0 HE2 TYR A 113 5.269 -5.348 1.360 1.00 0.00 H new ATOM 0 HH TYR A 113 3.395 -2.355 1.386 1.00 0.00 H new ATOM 1771 N GLN A 114 3.571 -4.598 -5.330 1.00 0.00 N ATOM 1772 CA GLN A 114 2.398 -3.726 -5.593 1.00 0.00 C ATOM 1773 C GLN A 114 1.198 -4.620 -5.911 1.00 0.00 C ATOM 1774 O GLN A 114 0.104 -4.413 -5.433 1.00 0.00 O ATOM 1775 CB GLN A 114 2.697 -2.817 -6.789 1.00 0.00 C ATOM 1776 CG GLN A 114 1.706 -1.654 -6.809 1.00 0.00 C ATOM 1777 CD GLN A 114 1.896 -0.845 -8.093 1.00 0.00 C ATOM 1778 OE1 GLN A 114 1.389 -1.210 -9.134 1.00 0.00 O ATOM 1779 NE2 GLN A 114 2.612 0.246 -8.062 1.00 0.00 N ATOM 0 H GLN A 114 4.201 -4.730 -6.122 1.00 0.00 H new ATOM 0 HA GLN A 114 2.183 -3.106 -4.723 1.00 0.00 H new ATOM 0 HB2 GLN A 114 3.717 -2.438 -6.725 1.00 0.00 H new ATOM 0 HB3 GLN A 114 2.626 -3.385 -7.717 1.00 0.00 H new ATOM 0 HG2 GLN A 114 0.685 -2.031 -6.752 1.00 0.00 H new ATOM 0 HG3 GLN A 114 1.860 -1.016 -5.938 1.00 0.00 H new ATOM 0 HE21 GLN A 114 3.038 0.552 -7.187 1.00 0.00 H new ATOM 0 HE22 GLN A 114 2.746 0.793 -8.913 1.00 0.00 H new ATOM 1788 N GLN A 115 1.404 -5.628 -6.709 1.00 0.00 N ATOM 1789 CA GLN A 115 0.283 -6.546 -7.047 1.00 0.00 C ATOM 1790 C GLN A 115 -0.287 -7.120 -5.752 1.00 0.00 C ATOM 1791 O GLN A 115 -1.485 -7.295 -5.604 1.00 0.00 O ATOM 1792 CB GLN A 115 0.800 -7.686 -7.927 1.00 0.00 C ATOM 1793 CG GLN A 115 1.085 -7.160 -9.335 1.00 0.00 C ATOM 1794 CD GLN A 115 1.725 -8.268 -10.175 1.00 0.00 C ATOM 1795 OE1 GLN A 115 2.680 -8.890 -9.754 1.00 0.00 O ATOM 1796 NE2 GLN A 115 1.236 -8.542 -11.353 1.00 0.00 N ATOM 0 H GLN A 115 2.299 -5.856 -7.142 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.492 -6.002 -7.587 1.00 0.00 H new ATOM 0 HB2 GLN A 115 1.707 -8.109 -7.496 1.00 0.00 H new ATOM 0 HB3 GLN A 115 0.063 -8.488 -7.970 1.00 0.00 H new ATOM 0 HG2 GLN A 115 0.160 -6.823 -9.803 1.00 0.00 H new ATOM 0 HG3 GLN A 115 1.750 -6.297 -9.285 1.00 0.00 H new ATOM 0 HE21 GLN A 115 0.434 -8.020 -11.706 1.00 0.00 H new ATOM 0 HE22 GLN A 115 1.655 -9.278 -11.921 1.00 0.00 H new ATOM 1805 N LEU A 116 0.559 -7.387 -4.792 1.00 0.00 N ATOM 1806 CA LEU A 116 0.062 -7.925 -3.499 1.00 0.00 C ATOM 1807 C LEU A 116 -0.444 -6.755 -2.658 1.00 0.00 C ATOM 1808 O LEU A 116 -1.161 -6.929 -1.690 1.00 0.00 O ATOM 1809 CB LEU A 116 1.204 -8.629 -2.761 1.00 0.00 C ATOM 1810 CG LEU A 116 1.922 -9.593 -3.710 1.00 0.00 C ATOM 1811 CD1 LEU A 116 2.957 -10.401 -2.922 1.00 0.00 C ATOM 1812 CD2 LEU A 116 0.905 -10.548 -4.350 1.00 0.00 C ATOM 0 H LEU A 116 1.569 -7.255 -4.850 1.00 0.00 H new ATOM 0 HA LEU A 116 -0.741 -8.641 -3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.909 -7.892 -2.376 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.812 -9.174 -1.903 1.00 0.00 H new ATOM 0 HG LEU A 116 2.420 -9.024 -4.495 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.470 -11.089 -3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 116 3.683 -9.723 -2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.456 -10.967 -2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.422 -11.231 -5.024 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.401 -11.119 -3.570 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.169 -9.973 -4.911 1.00 0.00 H new ATOM 1824 N TRP A 117 -0.078 -5.556 -3.035 1.00 0.00 N ATOM 1825 CA TRP A 117 -0.533 -4.360 -2.276 1.00 0.00 C ATOM 1826 C TRP A 117 -2.006 -4.087 -2.583 1.00 0.00 C ATOM 1827 O TRP A 117 -2.812 -3.920 -1.684 1.00 0.00 O ATOM 1828 CB TRP A 117 0.299 -3.139 -2.676 1.00 0.00 C ATOM 1829 CG TRP A 117 -0.091 -1.981 -1.814 1.00 0.00 C ATOM 1830 CD1 TRP A 117 -0.924 -0.983 -2.187 1.00 0.00 C ATOM 1831 CD2 TRP A 117 0.312 -1.687 -0.445 1.00 0.00 C ATOM 1832 NE1 TRP A 117 -1.058 -0.095 -1.135 1.00 0.00 N ATOM 1833 CE2 TRP A 117 -0.315 -0.485 -0.039 1.00 0.00 C ATOM 1834 CE3 TRP A 117 1.153 -2.339 0.473 1.00 0.00 C ATOM 1835 CZ2 TRP A 117 -0.116 0.049 1.234 1.00 0.00 C ATOM 1836 CZ3 TRP A 117 1.356 -1.803 1.756 1.00 0.00 C ATOM 1837 CH2 TRP A 117 0.723 -0.612 2.135 1.00 0.00 C ATOM 0 H TRP A 117 0.518 -5.357 -3.838 1.00 0.00 H new ATOM 0 HA TRP A 117 -0.408 -4.549 -1.210 1.00 0.00 H new ATOM 0 HB2 TRP A 117 1.362 -3.353 -2.561 1.00 0.00 H new ATOM 0 HB3 TRP A 117 0.134 -2.899 -3.726 1.00 0.00 H new ATOM 0 HD1 TRP A 117 -1.406 -0.894 -3.149 1.00 0.00 H new ATOM 0 HE1 TRP A 117 -1.635 0.745 -1.165 1.00 0.00 H new ATOM 0 HE3 TRP A 117 1.646 -3.257 0.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 -0.607 0.967 1.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 2.004 -2.312 2.454 1.00 0.00 H new ATOM 0 HH2 TRP A 117 0.883 -0.205 3.123 1.00 0.00 H new ATOM 1848 N LEU A 118 -2.391 -4.070 -3.835 1.00 0.00 N ATOM 1849 CA LEU A 118 -3.823 -3.833 -4.151 1.00 0.00 C ATOM 1850 C LEU A 118 -4.645 -4.984 -3.577 1.00 0.00 C ATOM 1851 O LEU A 118 -5.743 -4.773 -3.104 1.00 0.00 O ATOM 1852 CB LEU A 118 -4.038 -3.726 -5.672 1.00 0.00 C ATOM 1853 CG LEU A 118 -3.505 -2.385 -6.241 1.00 0.00 C ATOM 1854 CD1 LEU A 118 -4.060 -1.179 -5.459 1.00 0.00 C ATOM 1855 CD2 LEU A 118 -1.972 -2.364 -6.200 1.00 0.00 C ATOM 0 H LEU A 118 -1.780 -4.209 -4.640 1.00 0.00 H new ATOM 0 HA LEU A 118 -4.142 -2.891 -3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -3.535 -4.556 -6.169 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -5.101 -3.818 -5.895 1.00 0.00 H new ATOM 0 HG LEU A 118 -3.844 -2.307 -7.274 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -3.666 -0.256 -5.885 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -5.148 -1.173 -5.524 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -3.759 -1.254 -4.414 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -1.610 -1.418 -6.602 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -1.634 -2.473 -5.169 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -1.581 -3.186 -6.799 1.00 0.00 H new ATOM 1867 N ALA A 119 -4.133 -6.188 -3.539 1.00 0.00 N ATOM 1868 CA ALA A 119 -4.936 -7.273 -2.900 1.00 0.00 C ATOM 1869 C ALA A 119 -5.265 -6.800 -1.480 1.00 0.00 C ATOM 1870 O ALA A 119 -6.368 -6.358 -1.229 1.00 0.00 O ATOM 1871 CB ALA A 119 -4.142 -8.580 -2.862 1.00 0.00 C ATOM 0 H ALA A 119 -3.223 -6.462 -3.910 1.00 0.00 H new ATOM 0 HA ALA A 119 -5.847 -7.469 -3.466 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -4.744 -9.358 -2.393 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.888 -8.881 -3.878 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -3.227 -8.433 -2.288 1.00 0.00 H new ATOM 1877 N ALA A 120 -4.356 -6.900 -0.546 1.00 0.00 N ATOM 1878 CA ALA A 120 -4.664 -6.445 0.848 1.00 0.00 C ATOM 1879 C ALA A 120 -5.374 -5.083 0.852 1.00 0.00 C ATOM 1880 O ALA A 120 -5.794 -4.634 1.889 1.00 0.00 O ATOM 1881 CB ALA A 120 -3.367 -6.308 1.641 1.00 0.00 C ATOM 0 H ALA A 120 -3.417 -7.275 -0.684 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.320 -7.189 1.300 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.593 -5.977 2.655 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.860 -7.272 1.679 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.720 -5.577 1.157 1.00 0.00 H new ATOM 1887 N PHE A 121 -5.524 -4.424 -0.278 1.00 0.00 N ATOM 1888 CA PHE A 121 -6.242 -3.100 -0.303 1.00 0.00 C ATOM 1889 C PHE A 121 -7.600 -3.280 -1.011 1.00 0.00 C ATOM 1890 O PHE A 121 -8.525 -2.523 -0.794 1.00 0.00 O ATOM 1891 CB PHE A 121 -5.385 -2.057 -1.054 1.00 0.00 C ATOM 1892 CG PHE A 121 -5.622 -0.667 -0.492 1.00 0.00 C ATOM 1893 CD1 PHE A 121 -6.828 -0.001 -0.748 1.00 0.00 C ATOM 1894 CD2 PHE A 121 -4.635 -0.048 0.285 1.00 0.00 C ATOM 1895 CE1 PHE A 121 -7.046 1.279 -0.226 1.00 0.00 C ATOM 1896 CE2 PHE A 121 -4.853 1.233 0.806 1.00 0.00 C ATOM 1897 CZ PHE A 121 -6.059 1.896 0.551 1.00 0.00 C ATOM 0 H PHE A 121 -5.181 -4.744 -1.184 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.407 -2.749 0.715 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -4.330 -2.315 -0.967 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -5.631 -2.073 -2.116 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.590 -0.476 -1.349 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -3.705 -0.559 0.483 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -7.976 1.791 -0.423 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -4.091 1.710 1.405 1.00 0.00 H new ATOM 0 HZ PHE A 121 -6.228 2.884 0.954 1.00 0.00 H new ATOM 1907 N ALA A 122 -7.728 -4.281 -1.846 1.00 0.00 N ATOM 1908 CA ALA A 122 -9.024 -4.520 -2.569 1.00 0.00 C ATOM 1909 C ALA A 122 -9.780 -5.677 -1.918 1.00 0.00 C ATOM 1910 O ALA A 122 -10.994 -5.721 -1.955 1.00 0.00 O ATOM 1911 CB ALA A 122 -8.735 -4.835 -4.040 1.00 0.00 C ATOM 0 H ALA A 122 -6.988 -4.949 -2.062 1.00 0.00 H new ATOM 0 HA ALA A 122 -9.643 -3.625 -2.510 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -9.674 -5.009 -4.566 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -8.213 -3.994 -4.497 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -8.112 -5.727 -4.105 1.00 0.00 H new ATOM 1917 N ALA A 123 -9.105 -6.581 -1.286 1.00 0.00 N ATOM 1918 CA ALA A 123 -9.830 -7.682 -0.600 1.00 0.00 C ATOM 1919 C ALA A 123 -10.099 -7.207 0.818 1.00 0.00 C ATOM 1920 O ALA A 123 -10.452 -7.965 1.688 1.00 0.00 O ATOM 1921 CB ALA A 123 -8.959 -8.939 -0.567 1.00 0.00 C ATOM 0 H ALA A 123 -8.088 -6.610 -1.212 1.00 0.00 H new ATOM 0 HA ALA A 123 -10.757 -7.926 -1.119 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -9.497 -9.741 -0.063 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -8.723 -9.245 -1.586 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -8.035 -8.727 -0.029 1.00 0.00 H new ATOM 1927 N LEU A 124 -9.897 -5.945 1.063 1.00 0.00 N ATOM 1928 CA LEU A 124 -10.095 -5.431 2.437 1.00 0.00 C ATOM 1929 C LEU A 124 -11.508 -5.799 2.951 1.00 0.00 C ATOM 1930 O LEU A 124 -11.644 -6.478 3.936 1.00 0.00 O ATOM 1931 CB LEU A 124 -9.889 -3.895 2.449 1.00 0.00 C ATOM 1932 CG LEU A 124 -8.534 -3.516 3.095 1.00 0.00 C ATOM 1933 CD1 LEU A 124 -8.183 -2.059 2.764 1.00 0.00 C ATOM 1934 CD2 LEU A 124 -8.576 -3.705 4.621 1.00 0.00 C ATOM 0 H LEU A 124 -9.605 -5.253 0.373 1.00 0.00 H new ATOM 0 HA LEU A 124 -9.364 -5.890 3.103 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -9.928 -3.512 1.429 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -10.702 -3.421 2.999 1.00 0.00 H new ATOM 0 HG LEU A 124 -7.769 -4.177 2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.228 -1.802 3.223 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -8.110 -1.939 1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -8.961 -1.400 3.151 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -7.611 -3.431 5.048 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -9.354 -3.070 5.045 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -8.793 -4.748 4.853 1.00 0.00 H new ATOM 1946 N PRO A 125 -12.544 -5.318 2.287 1.00 0.00 N ATOM 1947 CA PRO A 125 -13.921 -5.574 2.744 1.00 0.00 C ATOM 1948 C PRO A 125 -14.129 -7.063 2.974 1.00 0.00 C ATOM 1949 O PRO A 125 -14.401 -7.483 4.081 1.00 0.00 O ATOM 1950 CB PRO A 125 -14.819 -4.977 1.639 1.00 0.00 C ATOM 1951 CG PRO A 125 -13.886 -4.570 0.469 1.00 0.00 C ATOM 1952 CD PRO A 125 -12.457 -4.536 1.031 1.00 0.00 C ATOM 0 HA PRO A 125 -14.158 -5.115 3.704 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -15.559 -5.706 1.307 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -15.368 -4.113 2.013 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -13.962 -5.283 -0.352 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -14.168 -3.595 0.071 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -11.744 -4.978 0.335 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -12.127 -3.514 1.219 1.00 0.00 H new ATOM 1960 N GLY A 126 -13.987 -7.873 1.972 1.00 0.00 N ATOM 1961 CA GLY A 126 -14.164 -9.339 2.199 1.00 0.00 C ATOM 1962 C GLY A 126 -12.845 -9.940 2.688 1.00 0.00 C ATOM 1963 O GLY A 126 -12.325 -10.896 2.149 1.00 0.00 O ATOM 0 H GLY A 126 -13.760 -7.597 1.017 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -14.950 -9.512 2.934 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -14.478 -9.826 1.276 1.00 0.00 H new ATOM 1967 N SER A 127 -12.369 -9.383 3.782 1.00 0.00 N ATOM 1968 CA SER A 127 -11.131 -9.853 4.480 1.00 0.00 C ATOM 1969 C SER A 127 -10.520 -8.641 5.201 1.00 0.00 C ATOM 1970 O SER A 127 -10.056 -7.712 4.582 1.00 0.00 O ATOM 1971 CB SER A 127 -10.133 -10.487 3.504 1.00 0.00 C ATOM 1972 OG SER A 127 -10.417 -11.875 3.384 1.00 0.00 O ATOM 0 H SER A 127 -12.813 -8.585 4.236 1.00 0.00 H new ATOM 0 HA SER A 127 -11.382 -10.634 5.198 1.00 0.00 H new ATOM 0 HB2 SER A 127 -10.201 -10.004 2.529 1.00 0.00 H new ATOM 0 HB3 SER A 127 -9.114 -10.341 3.861 1.00 0.00 H new ATOM 0 HG SER A 127 -11.244 -11.997 2.873 1.00 0.00 H new ATOM 1978 N ALA A 128 -10.460 -8.680 6.506 1.00 0.00 N ATOM 1979 CA ALA A 128 -9.846 -7.553 7.280 1.00 0.00 C ATOM 1980 C ALA A 128 -10.480 -6.194 6.905 1.00 0.00 C ATOM 1981 O ALA A 128 -10.031 -5.564 5.984 1.00 0.00 O ATOM 1982 CB ALA A 128 -8.344 -7.501 6.971 1.00 0.00 C ATOM 0 H ALA A 128 -10.812 -9.449 7.076 1.00 0.00 H new ATOM 0 HA ALA A 128 -10.022 -7.731 8.341 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -7.886 -6.684 7.529 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -7.880 -8.444 7.261 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -8.198 -7.338 5.903 1.00 0.00 H new ATOM 1988 N LYS A 129 -11.471 -5.712 7.654 1.00 0.00 N ATOM 1989 CA LYS A 129 -12.082 -4.363 7.371 1.00 0.00 C ATOM 1990 C LYS A 129 -13.291 -4.134 8.292 1.00 0.00 C ATOM 1991 O LYS A 129 -13.393 -4.650 9.387 1.00 0.00 O ATOM 1992 CB LYS A 129 -12.578 -4.259 5.902 1.00 0.00 C ATOM 1993 CG LYS A 129 -12.600 -2.784 5.419 1.00 0.00 C ATOM 1994 CD LYS A 129 -13.642 -2.576 4.315 1.00 0.00 C ATOM 1995 CE LYS A 129 -13.816 -1.077 4.069 1.00 0.00 C ATOM 1996 NZ LYS A 129 -14.464 -0.447 5.253 1.00 0.00 N ATOM 0 H LYS A 129 -11.878 -6.203 8.450 1.00 0.00 H new ATOM 0 HA LYS A 129 -11.309 -3.614 7.546 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -11.928 -4.847 5.254 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -13.578 -4.685 5.822 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -12.822 -2.127 6.260 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -11.614 -2.506 5.048 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -13.324 -3.073 3.399 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -14.593 -3.022 4.606 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -12.847 -0.614 3.883 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -14.424 -0.913 3.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -15.299 0.091 4.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -14.756 -1.187 5.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -13.790 0.195 5.717 1.00 0.00 H new ATOM 2010 N ASP A 130 -14.191 -3.350 7.792 1.00 0.00 N ATOM 2011 CA ASP A 130 -15.447 -2.990 8.500 1.00 0.00 C ATOM 2012 C ASP A 130 -16.167 -1.936 7.637 1.00 0.00 C ATOM 2013 O ASP A 130 -16.162 -0.767 7.969 1.00 0.00 O ATOM 2014 CB ASP A 130 -15.119 -2.394 9.877 1.00 0.00 C ATOM 2015 CG ASP A 130 -16.369 -1.738 10.471 1.00 0.00 C ATOM 2016 OD1 ASP A 130 -17.360 -2.432 10.632 1.00 0.00 O ATOM 2017 OD2 ASP A 130 -16.314 -0.552 10.755 1.00 0.00 O ATOM 0 H ASP A 130 -14.104 -2.920 6.871 1.00 0.00 H new ATOM 0 HA ASP A 130 -16.074 -3.869 8.648 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -14.756 -3.176 10.544 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -14.321 -1.658 9.784 1.00 0.00 H new ATOM 2022 N PRO A 131 -16.720 -2.371 6.524 1.00 0.00 N ATOM 2023 CA PRO A 131 -17.393 -1.473 5.565 1.00 0.00 C ATOM 2024 C PRO A 131 -18.864 -1.310 5.952 1.00 0.00 C ATOM 2025 O PRO A 131 -19.416 -0.229 5.984 1.00 0.00 O ATOM 2026 CB PRO A 131 -17.312 -2.262 4.244 1.00 0.00 C ATOM 2027 CG PRO A 131 -17.184 -3.760 4.639 1.00 0.00 C ATOM 2028 CD PRO A 131 -16.734 -3.793 6.117 1.00 0.00 C ATOM 0 HA PRO A 131 -16.949 -0.479 5.521 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -18.201 -2.095 3.636 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -16.455 -1.941 3.651 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -18.136 -4.276 4.513 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -16.459 -4.267 4.002 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -17.422 -4.376 6.730 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -15.749 -4.247 6.223 1.00 0.00 H new