USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 665 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 50 ASN : amide:sc= -2.15! C(o=-5.1!,f=-6.5!) USER MOD Set 1.2: A 53 ASN : amide:sc= -2.98 K(o=-5.1,f=-12!) USER MOD Set 2.1: A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 45 TYR OH : rot 180:sc=-0.00701 USER MOD Set 3.1: A 37 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 40 LYS NZ :NH3+ 180:sc=-0.00938 (180deg=-0.00938) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0517 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.0198 X(o=-0.02,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.222) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 167:sc= -0.478 (180deg=-0.706) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -2.36! C(o=-2.4!,f=-6.5!) USER MOD Single : A 49 LYS NZ :NH3+ -124:sc= -1.24 (180deg=-3.04!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -5.59! C(o=-5.6!,f=-8!) USER MOD Single : A 65 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.01) USER MOD Single : A 67 HIS : no HD1:sc= -2.68 K(o=-2.7,f=-3.8!) USER MOD Single : A 71 THR OG1 : rot -73:sc= 0.929 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.0792 X(o=-0.079,f=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= -0.0621 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.0552 K(o=-0.055,f=-1.6!) USER MOD Single : A 97 ASN :FLIP amide:sc= -1.43 F(o=-2.7,f=-1.4) USER MOD Single : A 99 ASN : amide:sc= -0.0483 X(o=-0.048,f=-0.47) USER MOD Single : A 100 THR OG1 : rot -30:sc= 0.00297 USER MOD Single : A 101 TYR OH : rot -134:sc= 2 USER MOD ----------------------------------------------------------------- ATOM 219 N SER A 18 2.216 -8.529 -4.905 1.00 0.00 N ATOM 220 CA SER A 18 1.468 -8.092 -3.732 1.00 0.00 C ATOM 221 C SER A 18 1.811 -6.649 -3.376 1.00 0.00 C ATOM 222 O SER A 18 2.550 -5.978 -4.098 1.00 0.00 O ATOM 223 CB SER A 18 1.763 -9.007 -2.542 1.00 0.00 C ATOM 224 OG SER A 18 0.666 -9.048 -1.646 1.00 0.00 O ATOM 0 HA SER A 18 0.405 -8.147 -3.968 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.983 -10.013 -2.899 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.651 -8.653 -2.019 1.00 0.00 H new ATOM 0 HG SER A 18 0.879 -9.641 -0.895 1.00 0.00 H new ATOM 230 N LEU A 19 1.268 -6.177 -2.259 1.00 0.00 N ATOM 231 CA LEU A 19 1.516 -4.813 -1.805 1.00 0.00 C ATOM 232 C LEU A 19 2.983 -4.437 -1.985 1.00 0.00 C ATOM 233 O LEU A 19 3.301 -3.342 -2.450 1.00 0.00 O ATOM 234 CB LEU A 19 1.115 -4.662 -0.337 1.00 0.00 C ATOM 235 CG LEU A 19 -0.327 -5.038 0.008 1.00 0.00 C ATOM 236 CD1 LEU A 19 -0.465 -5.316 1.496 1.00 0.00 C ATOM 237 CD2 LEU A 19 -1.282 -3.934 -0.422 1.00 0.00 C ATOM 0 H LEU A 19 0.653 -6.719 -1.651 1.00 0.00 H new ATOM 0 HA LEU A 19 0.911 -4.139 -2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.784 -5.276 0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.280 -3.626 -0.041 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.586 -5.947 -0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.498 -5.582 1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.191 -6.141 1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.188 -4.425 2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.304 -4.218 -0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.024 -3.009 0.093 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.203 -3.784 -1.499 1.00 0.00 H new ATOM 249 N TYR A 20 3.872 -5.351 -1.615 1.00 0.00 N ATOM 250 CA TYR A 20 5.306 -5.116 -1.735 1.00 0.00 C ATOM 251 C TYR A 20 5.616 -4.252 -2.953 1.00 0.00 C ATOM 252 O TYR A 20 6.549 -3.448 -2.938 1.00 0.00 O ATOM 253 CB TYR A 20 6.056 -6.445 -1.834 1.00 0.00 C ATOM 254 CG TYR A 20 5.612 -7.469 -0.813 1.00 0.00 C ATOM 255 CD1 TYR A 20 5.914 -7.311 0.534 1.00 0.00 C ATOM 256 CD2 TYR A 20 4.890 -8.592 -1.196 1.00 0.00 C ATOM 257 CE1 TYR A 20 5.511 -8.244 1.470 1.00 0.00 C ATOM 258 CE2 TYR A 20 4.482 -9.530 -0.266 1.00 0.00 C ATOM 259 CZ TYR A 20 4.796 -9.351 1.065 1.00 0.00 C ATOM 260 OH TYR A 20 4.391 -10.282 1.994 1.00 0.00 O ATOM 0 H TYR A 20 3.625 -6.262 -1.229 1.00 0.00 H new ATOM 0 HA TYR A 20 5.637 -4.586 -0.842 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.917 -6.857 -2.833 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.123 -6.260 -1.711 1.00 0.00 H new ATOM 0 HD1 TYR A 20 6.473 -6.444 0.855 1.00 0.00 H new ATOM 0 HD2 TYR A 20 4.643 -8.735 -2.238 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.755 -8.107 2.513 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.921 -10.398 -0.580 1.00 0.00 H new ATOM 0 HH TYR A 20 3.897 -10.999 1.544 1.00 0.00 H new ATOM 270 N HIS A 21 4.827 -4.424 -4.009 1.00 0.00 N ATOM 271 CA HIS A 21 5.015 -3.660 -5.237 1.00 0.00 C ATOM 272 C HIS A 21 4.653 -2.193 -5.025 1.00 0.00 C ATOM 273 O HIS A 21 5.433 -1.297 -5.349 1.00 0.00 O ATOM 274 CB HIS A 21 4.166 -4.249 -6.364 1.00 0.00 C ATOM 275 CG HIS A 21 4.764 -4.061 -7.725 1.00 0.00 C ATOM 276 ND1 HIS A 21 4.109 -3.416 -8.752 1.00 0.00 N ATOM 277 CD2 HIS A 21 5.964 -4.438 -8.223 1.00 0.00 C ATOM 278 CE1 HIS A 21 4.880 -3.405 -9.825 1.00 0.00 C ATOM 279 NE2 HIS A 21 6.012 -4.019 -9.530 1.00 0.00 N ATOM 0 H HIS A 21 4.051 -5.086 -4.039 1.00 0.00 H new ATOM 0 HA HIS A 21 6.067 -3.720 -5.515 1.00 0.00 H new ATOM 0 HB2 HIS A 21 4.024 -5.314 -6.182 1.00 0.00 H new ATOM 0 HB3 HIS A 21 3.179 -3.788 -6.343 1.00 0.00 H new ATOM 0 HD2 HIS A 21 6.740 -4.969 -7.692 1.00 0.00 H new ATOM 0 HE1 HIS A 21 4.628 -2.969 -10.780 1.00 0.00 H new ATOM 0 HE2 HIS A 21 6.794 -4.159 -10.169 1.00 0.00 H new ATOM 287 N VAL A 22 3.465 -1.954 -4.479 1.00 0.00 N ATOM 288 CA VAL A 22 3.000 -0.596 -4.224 1.00 0.00 C ATOM 289 C VAL A 22 4.115 0.267 -3.644 1.00 0.00 C ATOM 290 O VAL A 22 4.110 1.489 -3.792 1.00 0.00 O ATOM 291 CB VAL A 22 1.802 -0.586 -3.256 1.00 0.00 C ATOM 292 CG1 VAL A 22 2.281 -0.512 -1.814 1.00 0.00 C ATOM 293 CG2 VAL A 22 0.868 0.571 -3.576 1.00 0.00 C ATOM 0 H VAL A 22 2.807 -2.683 -4.205 1.00 0.00 H new ATOM 0 HA VAL A 22 2.687 -0.183 -5.183 1.00 0.00 H new ATOM 0 HB VAL A 22 1.248 -1.516 -3.382 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.421 -0.506 -1.145 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.906 -1.377 -1.593 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.860 0.400 -1.669 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.027 0.563 -2.882 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.409 1.512 -3.479 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.498 0.468 -4.596 1.00 0.00 H new ATOM 303 N LEU A 23 5.071 -0.377 -2.984 1.00 0.00 N ATOM 304 CA LEU A 23 6.195 0.331 -2.381 1.00 0.00 C ATOM 305 C LEU A 23 7.439 0.222 -3.256 1.00 0.00 C ATOM 306 O LEU A 23 8.003 1.230 -3.679 1.00 0.00 O ATOM 307 CB LEU A 23 6.487 -0.228 -0.987 1.00 0.00 C ATOM 308 CG LEU A 23 5.289 -0.799 -0.228 1.00 0.00 C ATOM 309 CD1 LEU A 23 5.753 -1.750 0.864 1.00 0.00 C ATOM 310 CD2 LEU A 23 4.447 0.323 0.361 1.00 0.00 C ATOM 0 H LEU A 23 5.090 -1.388 -2.853 1.00 0.00 H new ATOM 0 HA LEU A 23 5.925 1.384 -2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.239 -1.012 -1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.929 0.566 -0.384 1.00 0.00 H new ATOM 0 HG LEU A 23 4.672 -1.359 -0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.887 -2.146 1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.313 -2.572 0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.393 -1.214 1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.599 -0.102 0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.054 0.911 1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.084 0.965 -0.441 1.00 0.00 H new ATOM 322 N GLY A 24 7.861 -1.010 -3.526 1.00 0.00 N ATOM 323 CA GLY A 24 9.035 -1.228 -4.351 1.00 0.00 C ATOM 324 C GLY A 24 9.835 -2.438 -3.913 1.00 0.00 C ATOM 325 O GLY A 24 11.060 -2.374 -3.797 1.00 0.00 O ATOM 0 H GLY A 24 7.411 -1.861 -3.188 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.727 -1.356 -5.389 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.671 -0.343 -4.314 1.00 0.00 H new ATOM 329 N LEU A 25 9.143 -3.545 -3.667 1.00 0.00 N ATOM 330 CA LEU A 25 9.797 -4.777 -3.237 1.00 0.00 C ATOM 331 C LEU A 25 9.092 -5.999 -3.818 1.00 0.00 C ATOM 332 O LEU A 25 8.163 -5.871 -4.615 1.00 0.00 O ATOM 333 CB LEU A 25 9.815 -4.861 -1.710 1.00 0.00 C ATOM 334 CG LEU A 25 10.473 -3.690 -0.981 1.00 0.00 C ATOM 335 CD1 LEU A 25 10.109 -3.708 0.496 1.00 0.00 C ATOM 336 CD2 LEU A 25 11.984 -3.732 -1.159 1.00 0.00 C ATOM 0 H LEU A 25 8.129 -3.615 -3.758 1.00 0.00 H new ATOM 0 HA LEU A 25 10.823 -4.764 -3.606 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.787 -4.950 -1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.330 -5.778 -1.423 1.00 0.00 H new ATOM 0 HG LEU A 25 10.101 -2.762 -1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.587 -2.867 0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.027 -3.629 0.605 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.452 -4.641 0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.436 -2.891 -0.633 1.00 0.00 H new ATOM 0 HD22 LEU A 25 12.373 -4.665 -0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.227 -3.670 -2.220 1.00 0.00 H new ATOM 348 N ASP A 26 9.539 -7.181 -3.410 1.00 0.00 N ATOM 349 CA ASP A 26 8.949 -8.427 -3.887 1.00 0.00 C ATOM 350 C ASP A 26 8.457 -9.277 -2.720 1.00 0.00 C ATOM 351 O ASP A 26 8.492 -8.847 -1.567 1.00 0.00 O ATOM 352 CB ASP A 26 9.967 -9.214 -4.714 1.00 0.00 C ATOM 353 CG ASP A 26 9.307 -10.113 -5.742 1.00 0.00 C ATOM 354 OD1 ASP A 26 8.672 -9.579 -6.675 1.00 0.00 O ATOM 355 OD2 ASP A 26 9.425 -11.350 -5.612 1.00 0.00 O ATOM 0 H ASP A 26 10.307 -7.303 -2.750 1.00 0.00 H new ATOM 0 HA ASP A 26 8.095 -8.178 -4.517 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.636 -8.518 -5.220 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.582 -9.819 -4.048 1.00 0.00 H new ATOM 360 N LYS A 27 7.998 -10.486 -3.027 1.00 0.00 N ATOM 361 CA LYS A 27 7.499 -11.397 -2.005 1.00 0.00 C ATOM 362 C LYS A 27 8.622 -11.835 -1.070 1.00 0.00 C ATOM 363 O LYS A 27 8.393 -12.100 0.109 1.00 0.00 O ATOM 364 CB LYS A 27 6.856 -12.624 -2.656 1.00 0.00 C ATOM 365 CG LYS A 27 5.756 -12.281 -3.646 1.00 0.00 C ATOM 366 CD LYS A 27 4.400 -12.193 -2.965 1.00 0.00 C ATOM 367 CE LYS A 27 3.274 -12.577 -3.913 1.00 0.00 C ATOM 368 NZ LYS A 27 2.001 -12.836 -3.186 1.00 0.00 N ATOM 0 H LYS A 27 7.962 -10.857 -3.976 1.00 0.00 H new ATOM 0 HA LYS A 27 6.748 -10.868 -1.419 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.627 -13.200 -3.168 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.445 -13.265 -1.876 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.984 -11.331 -4.129 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.722 -13.038 -4.430 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.385 -12.850 -2.096 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.240 -11.178 -2.600 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.122 -11.778 -4.639 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.559 -13.467 -4.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.202 -12.759 -3.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.023 -13.792 -2.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.888 -12.137 -2.424 1.00 0.00 H new ATOM 382 N ASN A 28 9.836 -11.907 -1.605 1.00 0.00 N ATOM 383 CA ASN A 28 10.995 -12.312 -0.818 1.00 0.00 C ATOM 384 C ASN A 28 11.301 -11.285 0.268 1.00 0.00 C ATOM 385 O ASN A 28 11.914 -11.606 1.286 1.00 0.00 O ATOM 386 CB ASN A 28 12.216 -12.490 -1.724 1.00 0.00 C ATOM 387 CG ASN A 28 12.153 -13.771 -2.533 1.00 0.00 C ATOM 388 OD1 ASN A 28 12.098 -14.868 -1.976 1.00 0.00 O ATOM 389 ND2 ASN A 28 12.160 -13.637 -3.854 1.00 0.00 N ATOM 0 H ASN A 28 10.043 -11.690 -2.580 1.00 0.00 H new ATOM 0 HA ASN A 28 10.763 -13.263 -0.339 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.290 -11.639 -2.401 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.120 -12.492 -1.115 1.00 0.00 H new ATOM 0 HD21 ASN A 28 12.119 -14.463 -4.451 1.00 0.00 H new ATOM 0 HD22 ASN A 28 12.207 -12.708 -4.272 1.00 0.00 H new ATOM 396 N ALA A 29 10.867 -10.048 0.045 1.00 0.00 N ATOM 397 CA ALA A 29 11.091 -8.975 1.006 1.00 0.00 C ATOM 398 C ALA A 29 10.370 -9.255 2.320 1.00 0.00 C ATOM 399 O ALA A 29 9.309 -9.881 2.337 1.00 0.00 O ATOM 400 CB ALA A 29 10.637 -7.644 0.425 1.00 0.00 C ATOM 0 H ALA A 29 10.359 -9.765 -0.793 1.00 0.00 H new ATOM 0 HA ALA A 29 12.160 -8.923 1.213 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.810 -6.851 1.153 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.201 -7.432 -0.483 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.574 -7.694 0.188 1.00 0.00 H new ATOM 406 N THR A 30 10.952 -8.788 3.420 1.00 0.00 N ATOM 407 CA THR A 30 10.366 -8.990 4.739 1.00 0.00 C ATOM 408 C THR A 30 9.820 -7.684 5.304 1.00 0.00 C ATOM 409 O THR A 30 9.965 -6.624 4.694 1.00 0.00 O ATOM 410 CB THR A 30 11.393 -9.574 5.727 1.00 0.00 C ATOM 411 OG1 THR A 30 12.501 -8.679 5.868 1.00 0.00 O ATOM 412 CG2 THR A 30 11.889 -10.932 5.252 1.00 0.00 C ATOM 0 H THR A 30 11.829 -8.267 3.423 1.00 0.00 H new ATOM 0 HA THR A 30 9.548 -9.700 4.616 1.00 0.00 H new ATOM 0 HB THR A 30 10.904 -9.701 6.693 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.149 -9.057 6.499 1.00 0.00 H new ATOM 0 HG21 THR A 30 12.613 -11.325 5.966 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.047 -11.620 5.174 1.00 0.00 H new ATOM 0 HG23 THR A 30 12.362 -10.825 4.276 1.00 0.00 H new ATOM 420 N SER A 31 9.193 -7.766 6.473 1.00 0.00 N ATOM 421 CA SER A 31 8.623 -6.589 7.119 1.00 0.00 C ATOM 422 C SER A 31 9.682 -5.507 7.309 1.00 0.00 C ATOM 423 O SER A 31 9.385 -4.314 7.240 1.00 0.00 O ATOM 424 CB SER A 31 8.017 -6.968 8.472 1.00 0.00 C ATOM 425 OG SER A 31 8.963 -7.641 9.285 1.00 0.00 O ATOM 0 H SER A 31 9.067 -8.635 6.992 1.00 0.00 H new ATOM 0 HA SER A 31 7.838 -6.195 6.474 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.668 -6.070 8.982 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.146 -7.606 8.318 1.00 0.00 H new ATOM 0 HG SER A 31 8.551 -7.871 10.144 1.00 0.00 H new ATOM 431 N ASP A 32 10.917 -5.933 7.548 1.00 0.00 N ATOM 432 CA ASP A 32 12.022 -5.001 7.747 1.00 0.00 C ATOM 433 C ASP A 32 12.241 -4.145 6.504 1.00 0.00 C ATOM 434 O ASP A 32 12.199 -2.916 6.570 1.00 0.00 O ATOM 435 CB ASP A 32 13.304 -5.763 8.089 1.00 0.00 C ATOM 436 CG ASP A 32 14.512 -4.851 8.181 1.00 0.00 C ATOM 437 OD1 ASP A 32 14.624 -4.113 9.182 1.00 0.00 O ATOM 438 OD2 ASP A 32 15.345 -4.876 7.251 1.00 0.00 O ATOM 0 H ASP A 32 11.179 -6.917 7.609 1.00 0.00 H new ATOM 0 HA ASP A 32 11.766 -4.344 8.578 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.172 -6.283 9.038 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.484 -6.525 7.330 1.00 0.00 H new ATOM 443 N ASP A 33 12.475 -4.801 5.373 1.00 0.00 N ATOM 444 CA ASP A 33 12.700 -4.100 4.115 1.00 0.00 C ATOM 445 C ASP A 33 11.543 -3.155 3.804 1.00 0.00 C ATOM 446 O ASP A 33 11.754 -1.986 3.480 1.00 0.00 O ATOM 447 CB ASP A 33 12.878 -5.102 2.973 1.00 0.00 C ATOM 448 CG ASP A 33 14.231 -5.783 3.005 1.00 0.00 C ATOM 449 OD1 ASP A 33 14.431 -6.665 3.868 1.00 0.00 O ATOM 450 OD2 ASP A 33 15.090 -5.437 2.168 1.00 0.00 O ATOM 0 H ASP A 33 12.514 -5.818 5.302 1.00 0.00 H new ATOM 0 HA ASP A 33 13.611 -3.509 4.215 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.094 -5.857 3.030 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.756 -4.587 2.020 1.00 0.00 H new ATOM 455 N ILE A 34 10.323 -3.670 3.904 1.00 0.00 N ATOM 456 CA ILE A 34 9.133 -2.872 3.634 1.00 0.00 C ATOM 457 C ILE A 34 9.203 -1.524 4.342 1.00 0.00 C ATOM 458 O ILE A 34 8.914 -0.483 3.751 1.00 0.00 O ATOM 459 CB ILE A 34 7.852 -3.605 4.074 1.00 0.00 C ATOM 460 CG1 ILE A 34 7.734 -4.949 3.353 1.00 0.00 C ATOM 461 CG2 ILE A 34 6.628 -2.743 3.801 1.00 0.00 C ATOM 462 CD1 ILE A 34 6.781 -5.914 4.025 1.00 0.00 C ATOM 0 H ILE A 34 10.132 -4.636 4.170 1.00 0.00 H new ATOM 0 HA ILE A 34 9.098 -2.712 2.556 1.00 0.00 H new ATOM 0 HB ILE A 34 7.909 -3.793 5.146 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.401 -4.775 2.330 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.721 -5.408 3.293 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.731 -3.275 4.117 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.710 -1.808 4.356 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.565 -2.528 2.734 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.747 -6.845 3.460 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.124 -6.118 5.039 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.784 -5.475 4.061 1.00 0.00 H new ATOM 474 N LYS A 35 9.590 -1.549 5.613 1.00 0.00 N ATOM 475 CA LYS A 35 9.702 -0.329 6.404 1.00 0.00 C ATOM 476 C LYS A 35 10.748 0.610 5.811 1.00 0.00 C ATOM 477 O LYS A 35 10.540 1.821 5.736 1.00 0.00 O ATOM 478 CB LYS A 35 10.066 -0.666 7.851 1.00 0.00 C ATOM 479 CG LYS A 35 8.886 -1.144 8.680 1.00 0.00 C ATOM 480 CD LYS A 35 9.299 -1.461 10.107 1.00 0.00 C ATOM 481 CE LYS A 35 8.139 -2.028 10.910 1.00 0.00 C ATOM 482 NZ LYS A 35 8.594 -2.631 12.194 1.00 0.00 N ATOM 0 H LYS A 35 9.832 -2.402 6.118 1.00 0.00 H new ATOM 0 HA LYS A 35 8.736 0.175 6.387 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.836 -1.437 7.853 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.497 0.217 8.323 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.111 -0.378 8.686 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.453 -2.032 8.220 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.121 -2.177 10.098 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.669 -0.556 10.589 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.419 -1.236 11.116 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.622 -2.783 10.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.773 -3.006 12.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.262 -3.404 11.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.065 -1.905 12.771 1.00 0.00 H new ATOM 496 N LYS A 36 11.874 0.043 5.389 1.00 0.00 N ATOM 497 CA LYS A 36 12.952 0.828 4.800 1.00 0.00 C ATOM 498 C LYS A 36 12.446 1.643 3.613 1.00 0.00 C ATOM 499 O LYS A 36 12.653 2.854 3.547 1.00 0.00 O ATOM 500 CB LYS A 36 14.093 -0.089 4.353 1.00 0.00 C ATOM 501 CG LYS A 36 14.747 -0.846 5.496 1.00 0.00 C ATOM 502 CD LYS A 36 16.174 -1.242 5.158 1.00 0.00 C ATOM 503 CE LYS A 36 16.227 -2.594 4.461 1.00 0.00 C ATOM 504 NZ LYS A 36 15.776 -2.506 3.045 1.00 0.00 N ATOM 0 H LYS A 36 12.063 -0.958 5.444 1.00 0.00 H new ATOM 0 HA LYS A 36 13.323 1.516 5.559 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.709 -0.805 3.626 1.00 0.00 H new ATOM 0 HB3 LYS A 36 14.849 0.508 3.843 1.00 0.00 H new ATOM 0 HG2 LYS A 36 14.743 -0.227 6.393 1.00 0.00 H new ATOM 0 HG3 LYS A 36 14.165 -1.739 5.723 1.00 0.00 H new ATOM 0 HD2 LYS A 36 16.621 -0.483 4.516 1.00 0.00 H new ATOM 0 HD3 LYS A 36 16.769 -1.278 6.071 1.00 0.00 H new ATOM 0 HE2 LYS A 36 17.246 -2.980 4.494 1.00 0.00 H new ATOM 0 HE3 LYS A 36 15.599 -3.305 4.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 16.030 -3.382 2.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.744 -2.378 3.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 16.238 -1.697 2.583 1.00 0.00 H new ATOM 518 N SER A 37 11.782 0.969 2.679 1.00 0.00 N ATOM 519 CA SER A 37 11.249 1.631 1.494 1.00 0.00 C ATOM 520 C SER A 37 10.203 2.673 1.878 1.00 0.00 C ATOM 521 O SER A 37 10.324 3.848 1.531 1.00 0.00 O ATOM 522 CB SER A 37 10.636 0.602 0.542 1.00 0.00 C ATOM 523 OG SER A 37 11.631 -0.253 0.005 1.00 0.00 O ATOM 0 H SER A 37 11.601 -0.034 2.720 1.00 0.00 H new ATOM 0 HA SER A 37 12.072 2.137 0.989 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.891 0.009 1.073 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.117 1.115 -0.268 1.00 0.00 H new ATOM 0 HG SER A 37 11.213 -0.902 -0.599 1.00 0.00 H new ATOM 529 N TYR A 38 9.175 2.233 2.595 1.00 0.00 N ATOM 530 CA TYR A 38 8.105 3.125 3.025 1.00 0.00 C ATOM 531 C TYR A 38 8.666 4.467 3.484 1.00 0.00 C ATOM 532 O TYR A 38 8.177 5.526 3.089 1.00 0.00 O ATOM 533 CB TYR A 38 7.299 2.483 4.155 1.00 0.00 C ATOM 534 CG TYR A 38 6.584 3.484 5.033 1.00 0.00 C ATOM 535 CD1 TYR A 38 5.537 4.251 4.536 1.00 0.00 C ATOM 536 CD2 TYR A 38 6.954 3.665 6.360 1.00 0.00 C ATOM 537 CE1 TYR A 38 4.880 5.168 5.334 1.00 0.00 C ATOM 538 CE2 TYR A 38 6.302 4.578 7.166 1.00 0.00 C ATOM 539 CZ TYR A 38 5.266 5.327 6.648 1.00 0.00 C ATOM 540 OH TYR A 38 4.616 6.239 7.448 1.00 0.00 O ATOM 0 H TYR A 38 9.060 1.264 2.891 1.00 0.00 H new ATOM 0 HA TYR A 38 7.448 3.299 2.173 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.566 1.801 3.725 1.00 0.00 H new ATOM 0 HB3 TYR A 38 7.968 1.884 4.772 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.231 4.128 3.507 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.766 3.082 6.769 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.069 5.757 4.931 1.00 0.00 H new ATOM 0 HE2 TYR A 38 6.602 4.705 8.196 1.00 0.00 H new ATOM 0 HH TYR A 38 5.010 6.226 8.345 1.00 0.00 H new ATOM 550 N ARG A 39 9.698 4.415 4.321 1.00 0.00 N ATOM 551 CA ARG A 39 10.327 5.625 4.835 1.00 0.00 C ATOM 552 C ARG A 39 10.520 6.652 3.723 1.00 0.00 C ATOM 553 O ARG A 39 9.831 7.672 3.679 1.00 0.00 O ATOM 554 CB ARG A 39 11.675 5.292 5.476 1.00 0.00 C ATOM 555 CG ARG A 39 11.559 4.729 6.883 1.00 0.00 C ATOM 556 CD ARG A 39 12.893 4.769 7.611 1.00 0.00 C ATOM 557 NE ARG A 39 13.121 6.054 8.266 1.00 0.00 N ATOM 558 CZ ARG A 39 14.135 6.288 9.092 1.00 0.00 C ATOM 559 NH1 ARG A 39 15.011 5.329 9.360 1.00 0.00 N ATOM 560 NH2 ARG A 39 14.276 7.484 9.649 1.00 0.00 N ATOM 0 H ARG A 39 10.116 3.547 4.657 1.00 0.00 H new ATOM 0 HA ARG A 39 9.669 6.053 5.591 1.00 0.00 H new ATOM 0 HB2 ARG A 39 12.198 4.571 4.848 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.287 6.194 5.504 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.820 5.300 7.445 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.200 3.701 6.836 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.924 3.973 8.355 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.698 4.575 6.903 1.00 0.00 H new ATOM 0 HE ARG A 39 12.466 6.813 8.079 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.907 4.409 8.932 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.789 5.511 9.994 1.00 0.00 H new ATOM 0 HH21 ARG A 39 13.606 8.225 9.443 1.00 0.00 H new ATOM 0 HH22 ARG A 39 15.055 7.663 10.283 1.00 0.00 H new ATOM 574 N LYS A 40 11.461 6.377 2.827 1.00 0.00 N ATOM 575 CA LYS A 40 11.746 7.275 1.715 1.00 0.00 C ATOM 576 C LYS A 40 10.479 7.573 0.919 1.00 0.00 C ATOM 577 O LYS A 40 10.264 8.702 0.475 1.00 0.00 O ATOM 578 CB LYS A 40 12.806 6.663 0.796 1.00 0.00 C ATOM 579 CG LYS A 40 12.424 5.297 0.252 1.00 0.00 C ATOM 580 CD LYS A 40 13.312 4.893 -0.913 1.00 0.00 C ATOM 581 CE LYS A 40 13.448 3.381 -1.011 1.00 0.00 C ATOM 582 NZ LYS A 40 12.242 2.754 -1.619 1.00 0.00 N ATOM 0 H LYS A 40 12.040 5.538 2.849 1.00 0.00 H new ATOM 0 HA LYS A 40 12.126 8.211 2.125 1.00 0.00 H new ATOM 0 HB2 LYS A 40 12.986 7.340 -0.039 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.744 6.577 1.344 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.502 4.554 1.045 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.383 5.311 -0.070 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.896 5.283 -1.842 1.00 0.00 H new ATOM 0 HD3 LYS A 40 14.298 5.341 -0.793 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.326 3.133 -1.608 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.611 2.966 -0.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.374 1.724 -1.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.408 2.969 -1.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.101 3.131 -2.578 1.00 0.00 H new ATOM 596 N LEU A 41 9.644 6.555 0.742 1.00 0.00 N ATOM 597 CA LEU A 41 8.397 6.709 0.001 1.00 0.00 C ATOM 598 C LEU A 41 7.403 7.566 0.779 1.00 0.00 C ATOM 599 O LEU A 41 6.357 7.950 0.256 1.00 0.00 O ATOM 600 CB LEU A 41 7.785 5.339 -0.295 1.00 0.00 C ATOM 601 CG LEU A 41 8.680 4.351 -1.044 1.00 0.00 C ATOM 602 CD1 LEU A 41 8.059 2.963 -1.046 1.00 0.00 C ATOM 603 CD2 LEU A 41 8.926 4.829 -2.468 1.00 0.00 C ATOM 0 H LEU A 41 9.808 5.615 1.101 1.00 0.00 H new ATOM 0 HA LEU A 41 8.622 7.211 -0.940 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.488 4.884 0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.876 5.488 -0.877 1.00 0.00 H new ATOM 0 HG LEU A 41 9.639 4.296 -0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.710 2.274 -1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.935 2.619 -0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.086 3.000 -1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.565 4.114 -2.987 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.975 4.913 -2.993 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.415 5.803 -2.446 1.00 0.00 H new ATOM 615 N ALA A 42 7.738 7.863 2.030 1.00 0.00 N ATOM 616 CA ALA A 42 6.877 8.678 2.878 1.00 0.00 C ATOM 617 C ALA A 42 7.294 10.144 2.836 1.00 0.00 C ATOM 618 O ALA A 42 6.481 11.038 3.074 1.00 0.00 O ATOM 619 CB ALA A 42 6.903 8.160 4.309 1.00 0.00 C ATOM 0 H ALA A 42 8.599 7.551 2.479 1.00 0.00 H new ATOM 0 HA ALA A 42 5.859 8.606 2.496 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.256 8.778 4.931 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.550 7.129 4.329 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.922 8.202 4.693 1.00 0.00 H new ATOM 625 N LEU A 43 8.564 10.384 2.533 1.00 0.00 N ATOM 626 CA LEU A 43 9.090 11.743 2.461 1.00 0.00 C ATOM 627 C LEU A 43 8.809 12.364 1.096 1.00 0.00 C ATOM 628 O LEU A 43 8.702 13.583 0.967 1.00 0.00 O ATOM 629 CB LEU A 43 10.595 11.744 2.734 1.00 0.00 C ATOM 630 CG LEU A 43 11.011 11.624 4.201 1.00 0.00 C ATOM 631 CD1 LEU A 43 10.996 10.169 4.642 1.00 0.00 C ATOM 632 CD2 LEU A 43 12.388 12.234 4.416 1.00 0.00 C ATOM 0 H LEU A 43 9.249 9.656 2.333 1.00 0.00 H new ATOM 0 HA LEU A 43 8.589 12.341 3.222 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.045 10.920 2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.016 12.665 2.332 1.00 0.00 H new ATOM 0 HG LEU A 43 10.293 12.174 4.809 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.295 10.103 5.688 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.991 9.764 4.525 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.692 9.596 4.029 1.00 0.00 H new ATOM 0 HD21 LEU A 43 12.668 12.140 5.465 1.00 0.00 H new ATOM 0 HD22 LEU A 43 13.118 11.712 3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.366 13.288 4.140 1.00 0.00 H new ATOM 644 N LYS A 44 8.689 11.516 0.080 1.00 0.00 N ATOM 645 CA LYS A 44 8.416 11.979 -1.275 1.00 0.00 C ATOM 646 C LYS A 44 6.929 12.263 -1.465 1.00 0.00 C ATOM 647 O LYS A 44 6.548 13.114 -2.268 1.00 0.00 O ATOM 648 CB LYS A 44 8.881 10.938 -2.295 1.00 0.00 C ATOM 649 CG LYS A 44 7.928 9.764 -2.445 1.00 0.00 C ATOM 650 CD LYS A 44 8.559 8.631 -3.236 1.00 0.00 C ATOM 651 CE LYS A 44 8.579 8.936 -4.726 1.00 0.00 C ATOM 652 NZ LYS A 44 9.014 7.759 -5.528 1.00 0.00 N ATOM 0 H LYS A 44 8.777 10.504 0.170 1.00 0.00 H new ATOM 0 HA LYS A 44 8.968 12.906 -1.433 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.004 11.421 -3.264 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.861 10.564 -1.999 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.637 9.402 -1.459 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.018 10.095 -2.945 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.577 8.463 -2.884 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.004 7.709 -3.059 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.584 9.246 -5.046 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.251 9.773 -4.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.014 8.008 -6.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.973 7.478 -5.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.359 6.968 -5.367 1.00 0.00 H new ATOM 666 N TYR A 45 6.095 11.547 -0.720 1.00 0.00 N ATOM 667 CA TYR A 45 4.650 11.721 -0.807 1.00 0.00 C ATOM 668 C TYR A 45 4.084 12.239 0.512 1.00 0.00 C ATOM 669 O TYR A 45 2.915 12.017 0.829 1.00 0.00 O ATOM 670 CB TYR A 45 3.977 10.399 -1.179 1.00 0.00 C ATOM 671 CG TYR A 45 4.405 9.860 -2.526 1.00 0.00 C ATOM 672 CD1 TYR A 45 4.086 10.533 -3.699 1.00 0.00 C ATOM 673 CD2 TYR A 45 5.129 8.679 -2.625 1.00 0.00 C ATOM 674 CE1 TYR A 45 4.474 10.044 -4.931 1.00 0.00 C ATOM 675 CE2 TYR A 45 5.523 8.183 -3.853 1.00 0.00 C ATOM 676 CZ TYR A 45 5.192 8.869 -5.003 1.00 0.00 C ATOM 677 OH TYR A 45 5.582 8.379 -6.228 1.00 0.00 O ATOM 0 H TYR A 45 6.395 10.840 -0.049 1.00 0.00 H new ATOM 0 HA TYR A 45 4.444 12.457 -1.584 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.202 9.658 -0.412 1.00 0.00 H new ATOM 0 HB3 TYR A 45 2.896 10.539 -1.180 1.00 0.00 H new ATOM 0 HD1 TYR A 45 3.525 11.454 -3.646 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.389 8.139 -1.727 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.216 10.579 -5.833 1.00 0.00 H new ATOM 0 HE2 TYR A 45 6.087 7.264 -3.912 1.00 0.00 H new ATOM 0 HH TYR A 45 6.080 7.544 -6.103 1.00 0.00 H new ATOM 687 N HIS A 46 4.922 12.933 1.276 1.00 0.00 N ATOM 688 CA HIS A 46 4.505 13.484 2.561 1.00 0.00 C ATOM 689 C HIS A 46 3.414 14.534 2.373 1.00 0.00 C ATOM 690 O HIS A 46 3.443 15.334 1.438 1.00 0.00 O ATOM 691 CB HIS A 46 5.702 14.100 3.287 1.00 0.00 C ATOM 692 CG HIS A 46 5.597 14.031 4.780 1.00 0.00 C ATOM 693 ND1 HIS A 46 5.087 15.058 5.546 1.00 0.00 N ATOM 694 CD2 HIS A 46 5.937 13.049 5.647 1.00 0.00 C ATOM 695 CE1 HIS A 46 5.121 14.711 6.821 1.00 0.00 C ATOM 696 NE2 HIS A 46 5.632 13.497 6.909 1.00 0.00 N ATOM 0 H HIS A 46 5.892 13.127 1.028 1.00 0.00 H new ATOM 0 HA HIS A 46 4.102 12.671 3.165 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.611 13.588 2.971 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.802 15.143 2.986 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.368 12.092 5.394 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.787 15.318 7.650 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.777 12.976 7.774 1.00 0.00 H new ATOM 704 N PRO A 47 2.428 14.533 3.282 1.00 0.00 N ATOM 705 CA PRO A 47 1.309 15.479 3.238 1.00 0.00 C ATOM 706 C PRO A 47 1.741 16.904 3.565 1.00 0.00 C ATOM 707 O PRO A 47 0.953 17.843 3.453 1.00 0.00 O ATOM 708 CB PRO A 47 0.354 14.949 4.311 1.00 0.00 C ATOM 709 CG PRO A 47 1.226 14.199 5.257 1.00 0.00 C ATOM 710 CD PRO A 47 2.329 13.607 4.423 1.00 0.00 C ATOM 0 HA PRO A 47 0.865 15.539 2.245 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -0.167 15.763 4.814 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.409 14.302 3.878 1.00 0.00 H new ATOM 0 HG2 PRO A 47 1.629 14.860 6.024 1.00 0.00 H new ATOM 0 HG3 PRO A 47 0.664 13.419 5.771 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.266 13.551 4.977 1.00 0.00 H new ATOM 0 HD3 PRO A 47 2.089 12.594 4.099 1.00 0.00 H new ATOM 718 N ASP A 48 2.997 17.058 3.970 1.00 0.00 N ATOM 719 CA ASP A 48 3.534 18.369 4.313 1.00 0.00 C ATOM 720 C ASP A 48 4.279 18.978 3.129 1.00 0.00 C ATOM 721 O ASP A 48 4.285 20.195 2.944 1.00 0.00 O ATOM 722 CB ASP A 48 4.470 18.262 5.518 1.00 0.00 C ATOM 723 CG ASP A 48 4.522 19.543 6.327 1.00 0.00 C ATOM 724 OD1 ASP A 48 3.451 20.144 6.556 1.00 0.00 O ATOM 725 OD2 ASP A 48 5.632 19.944 6.733 1.00 0.00 O ATOM 0 H ASP A 48 3.662 16.291 4.069 1.00 0.00 H new ATOM 0 HA ASP A 48 2.698 19.020 4.568 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.140 17.444 6.159 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.474 18.012 5.174 1.00 0.00 H new ATOM 730 N LYS A 49 4.907 18.123 2.328 1.00 0.00 N ATOM 731 CA LYS A 49 5.654 18.575 1.161 1.00 0.00 C ATOM 732 C LYS A 49 4.714 18.906 0.007 1.00 0.00 C ATOM 733 O LYS A 49 5.021 19.750 -0.834 1.00 0.00 O ATOM 734 CB LYS A 49 6.656 17.503 0.725 1.00 0.00 C ATOM 735 CG LYS A 49 7.518 16.978 1.861 1.00 0.00 C ATOM 736 CD LYS A 49 8.635 17.948 2.207 1.00 0.00 C ATOM 737 CE LYS A 49 9.545 18.199 1.015 1.00 0.00 C ATOM 738 NZ LYS A 49 9.085 19.357 0.200 1.00 0.00 N ATOM 0 H LYS A 49 4.913 17.112 2.467 1.00 0.00 H new ATOM 0 HA LYS A 49 6.195 19.480 1.436 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.113 16.671 0.277 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.302 17.915 -0.050 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.898 16.807 2.741 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.945 16.015 1.580 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.207 18.892 2.544 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.221 17.550 3.035 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.561 18.382 1.366 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.580 17.306 0.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.944 19.054 -0.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.188 19.717 0.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.801 20.110 0.232 1.00 0.00 H new ATOM 752 N ASN A 50 3.566 18.237 -0.026 1.00 0.00 N ATOM 753 CA ASN A 50 2.580 18.461 -1.077 1.00 0.00 C ATOM 754 C ASN A 50 1.296 19.051 -0.501 1.00 0.00 C ATOM 755 O ASN A 50 0.343 18.338 -0.185 1.00 0.00 O ATOM 756 CB ASN A 50 2.271 17.151 -1.804 1.00 0.00 C ATOM 757 CG ASN A 50 3.527 16.384 -2.172 1.00 0.00 C ATOM 758 OD1 ASN A 50 3.948 16.380 -3.329 1.00 0.00 O ATOM 759 ND2 ASN A 50 4.132 15.731 -1.187 1.00 0.00 N ATOM 0 H ASN A 50 3.296 17.535 0.663 1.00 0.00 H new ATOM 0 HA ASN A 50 2.999 19.173 -1.788 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.640 16.527 -1.171 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.702 17.366 -2.708 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.981 15.198 -1.374 1.00 0.00 H new ATOM 0 HD22 ASN A 50 3.747 15.762 -0.243 1.00 0.00 H new ATOM 766 N PRO A 51 1.268 20.384 -0.361 1.00 0.00 N ATOM 767 CA PRO A 51 0.106 21.100 0.176 1.00 0.00 C ATOM 768 C PRO A 51 -1.081 21.077 -0.780 1.00 0.00 C ATOM 769 O PRO A 51 -1.011 21.612 -1.886 1.00 0.00 O ATOM 770 CB PRO A 51 0.622 22.530 0.354 1.00 0.00 C ATOM 771 CG PRO A 51 1.733 22.657 -0.631 1.00 0.00 C ATOM 772 CD PRO A 51 2.367 21.297 -0.717 1.00 0.00 C ATOM 0 HA PRO A 51 -0.262 20.647 1.097 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.163 23.261 0.162 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.974 22.700 1.372 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.358 22.975 -1.604 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.457 23.405 -0.309 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.749 21.095 -1.718 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.207 21.201 -0.029 1.00 0.00 H new ATOM 780 N ASP A 52 -2.172 20.454 -0.346 1.00 0.00 N ATOM 781 CA ASP A 52 -3.376 20.363 -1.163 1.00 0.00 C ATOM 782 C ASP A 52 -3.054 19.804 -2.546 1.00 0.00 C ATOM 783 O ASP A 52 -3.438 20.380 -3.563 1.00 0.00 O ATOM 784 CB ASP A 52 -4.034 21.737 -1.295 1.00 0.00 C ATOM 785 CG ASP A 52 -4.779 22.146 -0.039 1.00 0.00 C ATOM 786 OD1 ASP A 52 -4.123 22.317 1.010 1.00 0.00 O ATOM 787 OD2 ASP A 52 -6.016 22.296 -0.106 1.00 0.00 O ATOM 0 H ASP A 52 -2.247 20.005 0.567 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.070 19.683 -0.669 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.271 22.482 -1.520 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.726 21.726 -2.137 1.00 0.00 H new ATOM 792 N ASN A 53 -2.346 18.680 -2.574 1.00 0.00 N ATOM 793 CA ASN A 53 -1.971 18.044 -3.831 1.00 0.00 C ATOM 794 C ASN A 53 -2.542 16.632 -3.919 1.00 0.00 C ATOM 795 O ASN A 53 -2.219 15.754 -3.119 1.00 0.00 O ATOM 796 CB ASN A 53 -0.448 17.999 -3.970 1.00 0.00 C ATOM 797 CG ASN A 53 0.004 18.062 -5.416 1.00 0.00 C ATOM 798 OD1 ASN A 53 -0.814 18.179 -6.329 1.00 0.00 O ATOM 799 ND2 ASN A 53 1.312 17.984 -5.631 1.00 0.00 N ATOM 0 H ASN A 53 -2.020 18.191 -1.740 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.387 18.636 -4.646 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -0.011 18.832 -3.419 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -0.071 17.083 -3.514 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.675 18.020 -6.583 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.953 17.888 -4.844 1.00 0.00 H new ATOM 806 N PRO A 54 -3.412 16.407 -4.915 1.00 0.00 N ATOM 807 CA PRO A 54 -4.046 15.103 -5.133 1.00 0.00 C ATOM 808 C PRO A 54 -3.057 14.052 -5.627 1.00 0.00 C ATOM 809 O PRO A 54 -3.115 12.893 -5.219 1.00 0.00 O ATOM 810 CB PRO A 54 -5.097 15.394 -6.206 1.00 0.00 C ATOM 811 CG PRO A 54 -4.578 16.588 -6.931 1.00 0.00 C ATOM 812 CD PRO A 54 -3.842 17.407 -5.906 1.00 0.00 C ATOM 0 HA PRO A 54 -4.460 14.693 -4.212 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.221 14.545 -6.879 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -6.072 15.594 -5.761 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -3.915 16.293 -7.744 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.393 17.160 -7.375 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.992 17.930 -6.344 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -4.486 18.164 -5.459 1.00 0.00 H new ATOM 820 N GLU A 55 -2.150 14.467 -6.506 1.00 0.00 N ATOM 821 CA GLU A 55 -1.149 13.560 -7.055 1.00 0.00 C ATOM 822 C GLU A 55 -0.314 12.933 -5.942 1.00 0.00 C ATOM 823 O GLU A 55 0.031 11.754 -6.000 1.00 0.00 O ATOM 824 CB GLU A 55 -0.238 14.303 -8.034 1.00 0.00 C ATOM 825 CG GLU A 55 0.685 15.307 -7.365 1.00 0.00 C ATOM 826 CD GLU A 55 1.672 15.929 -8.333 1.00 0.00 C ATOM 827 OE1 GLU A 55 1.254 16.791 -9.135 1.00 0.00 O ATOM 828 OE2 GLU A 55 2.863 15.554 -8.291 1.00 0.00 O ATOM 0 H GLU A 55 -2.088 15.424 -6.853 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.670 12.764 -7.587 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.364 13.576 -8.580 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.854 14.822 -8.768 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.087 16.094 -6.906 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.232 14.813 -6.562 1.00 0.00 H new ATOM 835 N ALA A 56 0.007 13.732 -4.930 1.00 0.00 N ATOM 836 CA ALA A 56 0.800 13.256 -3.803 1.00 0.00 C ATOM 837 C ALA A 56 -0.077 12.549 -2.775 1.00 0.00 C ATOM 838 O ALA A 56 0.284 11.491 -2.261 1.00 0.00 O ATOM 839 CB ALA A 56 1.546 14.414 -3.156 1.00 0.00 C ATOM 0 H ALA A 56 -0.270 14.712 -4.867 1.00 0.00 H new ATOM 0 HA ALA A 56 1.526 12.536 -4.180 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.134 14.044 -2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.209 14.874 -3.888 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.830 15.154 -2.799 1.00 0.00 H new ATOM 845 N ALA A 57 -1.229 13.141 -2.480 1.00 0.00 N ATOM 846 CA ALA A 57 -2.157 12.566 -1.514 1.00 0.00 C ATOM 847 C ALA A 57 -2.552 11.147 -1.909 1.00 0.00 C ATOM 848 O ALA A 57 -2.512 10.230 -1.088 1.00 0.00 O ATOM 849 CB ALA A 57 -3.394 13.443 -1.384 1.00 0.00 C ATOM 0 H ALA A 57 -1.542 14.018 -2.896 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.654 12.520 -0.548 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.078 13.002 -0.659 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.101 14.438 -1.048 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.890 13.519 -2.352 1.00 0.00 H new ATOM 855 N ASP A 58 -2.933 10.973 -3.170 1.00 0.00 N ATOM 856 CA ASP A 58 -3.334 9.665 -3.674 1.00 0.00 C ATOM 857 C ASP A 58 -2.265 8.617 -3.378 1.00 0.00 C ATOM 858 O ASP A 58 -2.500 7.670 -2.628 1.00 0.00 O ATOM 859 CB ASP A 58 -3.597 9.733 -5.179 1.00 0.00 C ATOM 860 CG ASP A 58 -4.554 8.655 -5.649 1.00 0.00 C ATOM 861 OD1 ASP A 58 -4.335 7.476 -5.302 1.00 0.00 O ATOM 862 OD2 ASP A 58 -5.521 8.991 -6.364 1.00 0.00 O ATOM 0 H ASP A 58 -2.972 11.722 -3.862 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.253 9.374 -3.166 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.006 10.712 -5.430 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.653 9.635 -5.715 1.00 0.00 H new ATOM 867 N LYS A 59 -1.091 8.793 -3.974 1.00 0.00 N ATOM 868 CA LYS A 59 0.015 7.864 -3.776 1.00 0.00 C ATOM 869 C LYS A 59 0.221 7.572 -2.293 1.00 0.00 C ATOM 870 O LYS A 59 0.100 6.429 -1.852 1.00 0.00 O ATOM 871 CB LYS A 59 1.301 8.435 -4.378 1.00 0.00 C ATOM 872 CG LYS A 59 1.231 8.639 -5.881 1.00 0.00 C ATOM 873 CD LYS A 59 1.381 7.325 -6.630 1.00 0.00 C ATOM 874 CE LYS A 59 0.866 7.435 -8.057 1.00 0.00 C ATOM 875 NZ LYS A 59 1.712 8.340 -8.884 1.00 0.00 N ATOM 0 H LYS A 59 -0.881 9.571 -4.599 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.232 6.930 -4.281 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.523 9.389 -3.900 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.129 7.764 -4.149 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.279 9.101 -6.142 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.016 9.328 -6.192 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.430 7.030 -6.642 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.836 6.541 -6.105 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.842 6.445 -8.512 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.159 7.806 -8.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.328 8.388 -9.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.715 9.292 -8.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.684 7.973 -8.916 1.00 0.00 H new ATOM 889 N PHE A 60 0.533 8.613 -1.527 1.00 0.00 N ATOM 890 CA PHE A 60 0.755 8.468 -0.093 1.00 0.00 C ATOM 891 C PHE A 60 -0.290 7.547 0.528 1.00 0.00 C ATOM 892 O PHE A 60 0.045 6.599 1.240 1.00 0.00 O ATOM 893 CB PHE A 60 0.717 9.836 0.591 1.00 0.00 C ATOM 894 CG PHE A 60 1.193 9.807 2.015 1.00 0.00 C ATOM 895 CD1 PHE A 60 2.479 9.390 2.321 1.00 0.00 C ATOM 896 CD2 PHE A 60 0.356 10.197 3.048 1.00 0.00 C ATOM 897 CE1 PHE A 60 2.919 9.362 3.631 1.00 0.00 C ATOM 898 CE2 PHE A 60 0.791 10.171 4.360 1.00 0.00 C ATOM 899 CZ PHE A 60 2.074 9.754 4.651 1.00 0.00 C ATOM 0 H PHE A 60 0.638 9.566 -1.876 1.00 0.00 H new ATOM 0 HA PHE A 60 1.739 8.023 0.054 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.333 10.534 0.024 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.303 10.218 0.565 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.144 9.084 1.527 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.649 10.525 2.826 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.923 9.034 3.857 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.128 10.476 5.156 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.417 9.734 5.675 1.00 0.00 H new ATOM 909 N LYS A 61 -1.559 7.831 0.255 1.00 0.00 N ATOM 910 CA LYS A 61 -2.655 7.029 0.786 1.00 0.00 C ATOM 911 C LYS A 61 -2.417 5.545 0.528 1.00 0.00 C ATOM 912 O LYS A 61 -2.673 4.708 1.393 1.00 0.00 O ATOM 913 CB LYS A 61 -3.981 7.461 0.156 1.00 0.00 C ATOM 914 CG LYS A 61 -5.201 7.034 0.954 1.00 0.00 C ATOM 915 CD LYS A 61 -6.489 7.331 0.205 1.00 0.00 C ATOM 916 CE LYS A 61 -6.986 8.740 0.487 1.00 0.00 C ATOM 917 NZ LYS A 61 -8.462 8.852 0.322 1.00 0.00 N ATOM 0 H LYS A 61 -1.854 8.612 -0.332 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.702 7.190 1.863 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.987 8.546 0.051 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.050 7.043 -0.848 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.141 5.967 1.168 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.209 7.552 1.913 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.325 7.210 -0.866 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.254 6.610 0.494 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.712 9.025 1.503 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.491 9.441 -0.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.761 9.828 0.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.722 8.605 -0.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.935 8.202 0.982 1.00 0.00 H new ATOM 931 N GLU A 62 -1.926 5.227 -0.665 1.00 0.00 N ATOM 932 CA GLU A 62 -1.653 3.843 -1.034 1.00 0.00 C ATOM 933 C GLU A 62 -0.487 3.283 -0.225 1.00 0.00 C ATOM 934 O GLU A 62 -0.494 2.116 0.169 1.00 0.00 O ATOM 935 CB GLU A 62 -1.346 3.742 -2.530 1.00 0.00 C ATOM 936 CG GLU A 62 -2.575 3.499 -3.389 1.00 0.00 C ATOM 937 CD GLU A 62 -3.756 4.353 -2.972 1.00 0.00 C ATOM 938 OE1 GLU A 62 -3.811 5.530 -3.386 1.00 0.00 O ATOM 939 OE2 GLU A 62 -4.625 3.846 -2.232 1.00 0.00 O ATOM 0 H GLU A 62 -1.709 5.908 -1.392 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.542 3.253 -0.812 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.862 4.663 -2.856 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.634 2.933 -2.692 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.332 3.706 -4.431 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.853 2.447 -3.329 1.00 0.00 H new ATOM 946 N ILE A 63 0.513 4.123 0.019 1.00 0.00 N ATOM 947 CA ILE A 63 1.686 3.713 0.781 1.00 0.00 C ATOM 948 C ILE A 63 1.325 3.432 2.236 1.00 0.00 C ATOM 949 O ILE A 63 1.377 2.289 2.688 1.00 0.00 O ATOM 950 CB ILE A 63 2.790 4.786 0.736 1.00 0.00 C ATOM 951 CG1 ILE A 63 3.005 5.268 -0.700 1.00 0.00 C ATOM 952 CG2 ILE A 63 4.085 4.238 1.315 1.00 0.00 C ATOM 953 CD1 ILE A 63 4.074 6.330 -0.828 1.00 0.00 C ATOM 0 H ILE A 63 0.534 5.092 -0.300 1.00 0.00 H new ATOM 0 HA ILE A 63 2.060 2.800 0.318 1.00 0.00 H new ATOM 0 HB ILE A 63 2.475 5.636 1.341 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.275 4.416 -1.324 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.065 5.662 -1.087 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.855 5.008 1.276 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.923 3.939 2.351 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.406 3.374 0.734 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.172 6.624 -1.873 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.797 7.199 -0.231 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.025 5.934 -0.472 1.00 0.00 H new ATOM 965 N ASN A 64 0.959 4.482 2.963 1.00 0.00 N ATOM 966 CA ASN A 64 0.588 4.348 4.367 1.00 0.00 C ATOM 967 C ASN A 64 -0.296 3.123 4.581 1.00 0.00 C ATOM 968 O ASN A 64 -0.112 2.372 5.538 1.00 0.00 O ATOM 969 CB ASN A 64 -0.139 5.606 4.846 1.00 0.00 C ATOM 970 CG ASN A 64 -1.642 5.509 4.664 1.00 0.00 C ATOM 971 OD1 ASN A 64 -2.286 4.603 5.194 1.00 0.00 O ATOM 972 ND2 ASN A 64 -2.208 6.446 3.912 1.00 0.00 N ATOM 0 H ASN A 64 0.911 5.435 2.603 1.00 0.00 H new ATOM 0 HA ASN A 64 1.501 4.221 4.948 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.087 5.774 5.899 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.236 6.470 4.298 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.216 6.433 3.754 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -1.635 7.178 3.492 1.00 0.00 H new ATOM 979 N ASN A 65 -1.256 2.928 3.683 1.00 0.00 N ATOM 980 CA ASN A 65 -2.169 1.795 3.773 1.00 0.00 C ATOM 981 C ASN A 65 -1.402 0.476 3.750 1.00 0.00 C ATOM 982 O ASN A 65 -1.401 -0.270 4.729 1.00 0.00 O ATOM 983 CB ASN A 65 -3.177 1.832 2.623 1.00 0.00 C ATOM 984 CG ASN A 65 -4.259 0.779 2.769 1.00 0.00 C ATOM 985 OD1 ASN A 65 -4.999 0.766 3.753 1.00 0.00 O ATOM 986 ND2 ASN A 65 -4.357 -0.109 1.786 1.00 0.00 N ATOM 0 H ASN A 65 -1.422 3.540 2.884 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.706 1.867 4.719 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.638 2.819 2.579 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.653 1.682 1.679 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -5.067 -0.840 1.828 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.722 -0.060 0.989 1.00 0.00 H new ATOM 993 N ALA A 66 -0.751 0.196 2.626 1.00 0.00 N ATOM 994 CA ALA A 66 0.021 -1.031 2.476 1.00 0.00 C ATOM 995 C ALA A 66 0.977 -1.225 3.648 1.00 0.00 C ATOM 996 O ALA A 66 0.906 -2.227 4.361 1.00 0.00 O ATOM 997 CB ALA A 66 0.791 -1.013 1.163 1.00 0.00 C ATOM 0 H ALA A 66 -0.743 0.802 1.806 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.675 -1.870 2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.363 -1.935 1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.091 -0.929 0.332 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.471 -0.161 1.152 1.00 0.00 H new ATOM 1003 N HIS A 67 1.871 -0.261 3.843 1.00 0.00 N ATOM 1004 CA HIS A 67 2.841 -0.327 4.930 1.00 0.00 C ATOM 1005 C HIS A 67 2.159 -0.689 6.246 1.00 0.00 C ATOM 1006 O HIS A 67 2.636 -1.547 6.988 1.00 0.00 O ATOM 1007 CB HIS A 67 3.572 1.009 5.071 1.00 0.00 C ATOM 1008 CG HIS A 67 4.083 1.269 6.455 1.00 0.00 C ATOM 1009 ND1 HIS A 67 3.295 1.775 7.466 1.00 0.00 N ATOM 1010 CD2 HIS A 67 5.312 1.087 6.993 1.00 0.00 C ATOM 1011 CE1 HIS A 67 4.017 1.896 8.566 1.00 0.00 C ATOM 1012 NE2 HIS A 67 5.245 1.485 8.305 1.00 0.00 N ATOM 0 H HIS A 67 1.944 0.575 3.263 1.00 0.00 H new ATOM 0 HA HIS A 67 3.565 -1.106 4.691 1.00 0.00 H new ATOM 0 HB2 HIS A 67 4.409 1.031 4.373 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.897 1.815 4.784 1.00 0.00 H new ATOM 0 HD2 HIS A 67 6.183 0.701 6.485 1.00 0.00 H new ATOM 0 HE1 HIS A 67 3.663 2.268 9.516 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.018 1.466 8.970 1.00 0.00 H new ATOM 1020 N ALA A 68 1.041 -0.028 6.529 1.00 0.00 N ATOM 1021 CA ALA A 68 0.294 -0.281 7.754 1.00 0.00 C ATOM 1022 C ALA A 68 -0.224 -1.715 7.795 1.00 0.00 C ATOM 1023 O ALA A 68 -0.075 -2.410 8.801 1.00 0.00 O ATOM 1024 CB ALA A 68 -0.860 0.702 7.881 1.00 0.00 C ATOM 0 H ALA A 68 0.633 0.687 5.926 1.00 0.00 H new ATOM 0 HA ALA A 68 0.970 -0.142 8.598 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.409 0.501 8.801 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.470 1.720 7.906 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.529 0.590 7.027 1.00 0.00 H new ATOM 1030 N ILE A 69 -0.832 -2.151 6.698 1.00 0.00 N ATOM 1031 CA ILE A 69 -1.371 -3.502 6.609 1.00 0.00 C ATOM 1032 C ILE A 69 -0.272 -4.545 6.789 1.00 0.00 C ATOM 1033 O ILE A 69 -0.475 -5.570 7.441 1.00 0.00 O ATOM 1034 CB ILE A 69 -2.073 -3.741 5.260 1.00 0.00 C ATOM 1035 CG1 ILE A 69 -3.219 -2.744 5.073 1.00 0.00 C ATOM 1036 CG2 ILE A 69 -2.589 -5.170 5.177 1.00 0.00 C ATOM 1037 CD1 ILE A 69 -3.713 -2.652 3.646 1.00 0.00 C ATOM 0 H ILE A 69 -0.964 -1.588 5.858 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.101 -3.604 7.412 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.349 -3.589 4.459 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.049 -3.032 5.718 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.889 -1.758 5.399 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.083 -5.323 4.217 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.754 -5.864 5.270 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.300 -5.347 5.984 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.525 -1.927 3.588 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.896 -2.335 2.998 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.074 -3.628 3.322 1.00 0.00 H new ATOM 1049 N LEU A 70 0.892 -4.276 6.209 1.00 0.00 N ATOM 1050 CA LEU A 70 2.025 -5.190 6.306 1.00 0.00 C ATOM 1051 C LEU A 70 2.615 -5.178 7.713 1.00 0.00 C ATOM 1052 O LEU A 70 2.686 -6.212 8.377 1.00 0.00 O ATOM 1053 CB LEU A 70 3.100 -4.811 5.287 1.00 0.00 C ATOM 1054 CG LEU A 70 2.727 -5.001 3.816 1.00 0.00 C ATOM 1055 CD1 LEU A 70 3.802 -4.416 2.913 1.00 0.00 C ATOM 1056 CD2 LEU A 70 2.512 -6.475 3.506 1.00 0.00 C ATOM 0 H LEU A 70 1.076 -3.432 5.666 1.00 0.00 H new ATOM 0 HA LEU A 70 1.668 -6.197 6.090 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.366 -3.765 5.441 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.993 -5.401 5.494 1.00 0.00 H new ATOM 0 HG LEU A 70 1.794 -4.471 3.626 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.519 -4.560 1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.907 -3.350 3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.751 -4.917 3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.247 -6.591 2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.429 -7.028 3.713 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.706 -6.864 4.128 1.00 0.00 H new ATOM 1068 N THR A 71 3.035 -3.999 8.163 1.00 0.00 N ATOM 1069 CA THR A 71 3.617 -3.852 9.491 1.00 0.00 C ATOM 1070 C THR A 71 2.740 -4.506 10.552 1.00 0.00 C ATOM 1071 O THR A 71 3.234 -5.217 11.427 1.00 0.00 O ATOM 1072 CB THR A 71 3.821 -2.368 9.853 1.00 0.00 C ATOM 1073 OG1 THR A 71 2.602 -1.644 9.657 1.00 0.00 O ATOM 1074 CG2 THR A 71 4.925 -1.752 9.007 1.00 0.00 C ATOM 0 H THR A 71 2.983 -3.133 7.627 1.00 0.00 H new ATOM 0 HA THR A 71 4.586 -4.350 9.468 1.00 0.00 H new ATOM 0 HB THR A 71 4.113 -2.309 10.902 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.434 -1.540 8.697 1.00 0.00 H new ATOM 0 HG21 THR A 71 5.051 -0.704 9.280 1.00 0.00 H new ATOM 0 HG22 THR A 71 5.858 -2.287 9.181 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.658 -1.822 7.953 1.00 0.00 H new ATOM 1082 N ASP A 72 1.437 -4.262 10.468 1.00 0.00 N ATOM 1083 CA ASP A 72 0.490 -4.829 11.421 1.00 0.00 C ATOM 1084 C ASP A 72 0.393 -6.342 11.255 1.00 0.00 C ATOM 1085 O ASP A 72 -0.294 -6.836 10.362 1.00 0.00 O ATOM 1086 CB ASP A 72 -0.890 -4.194 11.240 1.00 0.00 C ATOM 1087 CG ASP A 72 -1.016 -2.867 11.961 1.00 0.00 C ATOM 1088 OD1 ASP A 72 -0.481 -2.747 13.084 1.00 0.00 O ATOM 1089 OD2 ASP A 72 -1.648 -1.946 11.403 1.00 0.00 O ATOM 0 H ASP A 72 1.012 -3.675 9.750 1.00 0.00 H new ATOM 0 HA ASP A 72 0.851 -4.614 12.427 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.082 -4.046 10.177 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.653 -4.879 11.610 1.00 0.00 H new ATOM 1094 N ALA A 73 1.087 -7.073 12.122 1.00 0.00 N ATOM 1095 CA ALA A 73 1.078 -8.530 12.072 1.00 0.00 C ATOM 1096 C ALA A 73 -0.309 -9.059 11.724 1.00 0.00 C ATOM 1097 O ALA A 73 -0.485 -9.764 10.730 1.00 0.00 O ATOM 1098 CB ALA A 73 1.547 -9.106 13.400 1.00 0.00 C ATOM 0 H ALA A 73 1.662 -6.680 12.867 1.00 0.00 H new ATOM 0 HA ALA A 73 1.766 -8.846 11.288 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.535 -10.195 13.349 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.561 -8.763 13.608 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.881 -8.773 14.196 1.00 0.00 H new ATOM 1104 N THR A 74 -1.293 -8.715 12.549 1.00 0.00 N ATOM 1105 CA THR A 74 -2.664 -9.157 12.330 1.00 0.00 C ATOM 1106 C THR A 74 -3.119 -8.852 10.907 1.00 0.00 C ATOM 1107 O THR A 74 -3.542 -9.746 10.174 1.00 0.00 O ATOM 1108 CB THR A 74 -3.635 -8.490 13.322 1.00 0.00 C ATOM 1109 OG1 THR A 74 -3.251 -8.798 14.666 1.00 0.00 O ATOM 1110 CG2 THR A 74 -5.063 -8.956 13.078 1.00 0.00 C ATOM 0 H THR A 74 -1.165 -8.131 13.376 1.00 0.00 H new ATOM 0 HA THR A 74 -2.678 -10.235 12.490 1.00 0.00 H new ATOM 0 HB THR A 74 -3.590 -7.412 13.170 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.873 -8.369 15.290 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.731 -8.472 13.791 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.363 -8.694 12.063 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.120 -10.037 13.205 1.00 0.00 H new ATOM 1118 N LYS A 75 -3.030 -7.583 10.522 1.00 0.00 N ATOM 1119 CA LYS A 75 -3.430 -7.159 9.186 1.00 0.00 C ATOM 1120 C LYS A 75 -2.955 -8.155 8.133 1.00 0.00 C ATOM 1121 O LYS A 75 -3.759 -8.721 7.393 1.00 0.00 O ATOM 1122 CB LYS A 75 -2.867 -5.769 8.880 1.00 0.00 C ATOM 1123 CG LYS A 75 -3.728 -4.634 9.408 1.00 0.00 C ATOM 1124 CD LYS A 75 -4.973 -4.438 8.560 1.00 0.00 C ATOM 1125 CE LYS A 75 -5.697 -3.150 8.922 1.00 0.00 C ATOM 1126 NZ LYS A 75 -7.109 -3.155 8.450 1.00 0.00 N ATOM 0 H LYS A 75 -2.684 -6.830 11.117 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.519 -7.118 9.156 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.869 -5.688 9.311 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.758 -5.660 7.801 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.017 -4.844 10.438 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.147 -3.712 9.422 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.697 -4.417 7.506 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.645 -5.285 8.697 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.676 -3.013 10.003 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.171 -2.302 8.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.567 -2.260 8.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.129 -3.260 7.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.619 -3.949 8.888 1.00 0.00 H new ATOM 1140 N ARG A 76 -1.644 -8.366 8.074 1.00 0.00 N ATOM 1141 CA ARG A 76 -1.062 -9.294 7.112 1.00 0.00 C ATOM 1142 C ARG A 76 -1.845 -10.603 7.078 1.00 0.00 C ATOM 1143 O ARG A 76 -2.361 -11.003 6.035 1.00 0.00 O ATOM 1144 CB ARG A 76 0.401 -9.572 7.460 1.00 0.00 C ATOM 1145 CG ARG A 76 1.342 -8.437 7.088 1.00 0.00 C ATOM 1146 CD ARG A 76 2.795 -8.815 7.330 1.00 0.00 C ATOM 1147 NE ARG A 76 3.167 -10.037 6.621 1.00 0.00 N ATOM 1148 CZ ARG A 76 2.974 -11.257 7.109 1.00 0.00 C ATOM 1149 NH1 ARG A 76 2.414 -11.417 8.301 1.00 0.00 N ATOM 1150 NH2 ARG A 76 3.340 -12.320 6.404 1.00 0.00 N ATOM 0 H ARG A 76 -0.965 -7.907 8.681 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.112 -8.834 6.125 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.481 -9.763 8.530 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.721 -10.480 6.949 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.203 -8.177 6.039 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.093 -7.551 7.672 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.441 -7.998 7.008 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.961 -8.951 8.399 1.00 0.00 H new ATOM 0 HE ARG A 76 3.598 -9.948 5.701 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.131 -10.602 8.845 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.267 -12.355 8.674 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.770 -12.200 5.487 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.192 -13.257 6.779 1.00 0.00 H new ATOM 1164 N ASN A 77 -1.929 -11.267 8.227 1.00 0.00 N ATOM 1165 CA ASN A 77 -2.648 -12.531 8.328 1.00 0.00 C ATOM 1166 C ASN A 77 -3.990 -12.454 7.607 1.00 0.00 C ATOM 1167 O ASN A 77 -4.317 -13.313 6.788 1.00 0.00 O ATOM 1168 CB ASN A 77 -2.866 -12.902 9.797 1.00 0.00 C ATOM 1169 CG ASN A 77 -3.743 -14.128 9.960 1.00 0.00 C ATOM 1170 OD1 ASN A 77 -4.848 -14.047 10.496 1.00 0.00 O ATOM 1171 ND2 ASN A 77 -3.254 -15.272 9.496 1.00 0.00 N ATOM 0 H ASN A 77 -1.508 -10.950 9.100 1.00 0.00 H new ATOM 0 HA ASN A 77 -2.044 -13.302 7.851 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -1.901 -13.084 10.270 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.323 -12.060 10.318 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -3.800 -16.130 9.577 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -2.333 -15.293 9.059 1.00 0.00 H new ATOM 1178 N ILE A 78 -4.763 -11.418 7.918 1.00 0.00 N ATOM 1179 CA ILE A 78 -6.069 -11.228 7.299 1.00 0.00 C ATOM 1180 C ILE A 78 -5.956 -11.192 5.779 1.00 0.00 C ATOM 1181 O ILE A 78 -6.824 -11.703 5.070 1.00 0.00 O ATOM 1182 CB ILE A 78 -6.737 -9.927 7.784 1.00 0.00 C ATOM 1183 CG1 ILE A 78 -6.902 -9.949 9.305 1.00 0.00 C ATOM 1184 CG2 ILE A 78 -8.084 -9.738 7.102 1.00 0.00 C ATOM 1185 CD1 ILE A 78 -7.262 -8.603 9.893 1.00 0.00 C ATOM 0 H ILE A 78 -4.507 -10.698 8.594 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.686 -12.076 7.595 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.096 -9.086 7.519 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.676 -10.670 9.568 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.974 -10.298 9.758 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -8.544 -8.815 7.455 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.941 -9.683 6.023 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.733 -10.581 7.339 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.363 -8.694 10.975 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.477 -7.883 9.661 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.206 -8.261 9.468 1.00 0.00 H new ATOM 1197 N TYR A 79 -4.882 -10.588 5.285 1.00 0.00 N ATOM 1198 CA TYR A 79 -4.655 -10.485 3.848 1.00 0.00 C ATOM 1199 C TYR A 79 -4.248 -11.833 3.263 1.00 0.00 C ATOM 1200 O TYR A 79 -4.872 -12.331 2.326 1.00 0.00 O ATOM 1201 CB TYR A 79 -3.576 -9.441 3.554 1.00 0.00 C ATOM 1202 CG TYR A 79 -3.505 -9.038 2.098 1.00 0.00 C ATOM 1203 CD1 TYR A 79 -4.616 -8.514 1.447 1.00 0.00 C ATOM 1204 CD2 TYR A 79 -2.328 -9.180 1.374 1.00 0.00 C ATOM 1205 CE1 TYR A 79 -4.556 -8.145 0.117 1.00 0.00 C ATOM 1206 CE2 TYR A 79 -2.259 -8.812 0.045 1.00 0.00 C ATOM 1207 CZ TYR A 79 -3.375 -8.295 -0.579 1.00 0.00 C ATOM 1208 OH TYR A 79 -3.310 -7.929 -1.904 1.00 0.00 O ATOM 0 H TYR A 79 -4.154 -10.162 5.858 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.589 -10.174 3.380 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.766 -8.554 4.159 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -2.607 -9.835 3.861 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -5.542 -8.393 1.990 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.452 -9.585 1.859 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.429 -7.741 -0.375 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.336 -8.928 -0.503 1.00 0.00 H new ATOM 0 HH TYR A 79 -2.407 -8.098 -2.246 1.00 0.00 H new ATOM 1218 N ASP A 80 -3.196 -12.420 3.824 1.00 0.00 N ATOM 1219 CA ASP A 80 -2.704 -13.712 3.360 1.00 0.00 C ATOM 1220 C ASP A 80 -3.809 -14.763 3.408 1.00 0.00 C ATOM 1221 O ASP A 80 -3.925 -15.599 2.512 1.00 0.00 O ATOM 1222 CB ASP A 80 -1.515 -14.164 4.210 1.00 0.00 C ATOM 1223 CG ASP A 80 -0.686 -15.232 3.524 1.00 0.00 C ATOM 1224 OD1 ASP A 80 -1.255 -16.002 2.722 1.00 0.00 O ATOM 1225 OD2 ASP A 80 0.533 -15.296 3.788 1.00 0.00 O ATOM 0 H ASP A 80 -2.668 -12.022 4.600 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.379 -13.600 2.326 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -0.883 -13.304 4.432 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.878 -14.547 5.164 1.00 0.00 H new ATOM 1230 N LYS A 81 -4.618 -14.716 4.461 1.00 0.00 N ATOM 1231 CA LYS A 81 -5.714 -15.663 4.627 1.00 0.00 C ATOM 1232 C LYS A 81 -6.891 -15.296 3.729 1.00 0.00 C ATOM 1233 O LYS A 81 -7.353 -16.111 2.930 1.00 0.00 O ATOM 1234 CB LYS A 81 -6.166 -15.700 6.089 1.00 0.00 C ATOM 1235 CG LYS A 81 -5.354 -16.650 6.952 1.00 0.00 C ATOM 1236 CD LYS A 81 -6.122 -17.068 8.196 1.00 0.00 C ATOM 1237 CE LYS A 81 -6.991 -18.288 7.931 1.00 0.00 C ATOM 1238 NZ LYS A 81 -6.212 -19.554 8.021 1.00 0.00 N ATOM 0 H LYS A 81 -4.535 -14.032 5.213 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.354 -16.651 4.339 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.099 -14.696 6.507 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.215 -15.993 6.129 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.090 -17.534 6.372 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.420 -16.170 7.244 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.421 -17.287 9.001 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.747 -16.241 8.534 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.810 -18.314 8.650 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.439 -18.207 6.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.840 -20.362 7.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.446 -19.541 7.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.806 -19.645 8.974 1.00 0.00 H new ATOM 1252 N TYR A 82 -7.372 -14.065 3.865 1.00 0.00 N ATOM 1253 CA TYR A 82 -8.496 -13.591 3.067 1.00 0.00 C ATOM 1254 C TYR A 82 -8.012 -12.746 1.892 1.00 0.00 C ATOM 1255 O TYR A 82 -8.135 -13.144 0.735 1.00 0.00 O ATOM 1256 CB TYR A 82 -9.456 -12.776 3.934 1.00 0.00 C ATOM 1257 CG TYR A 82 -9.755 -13.414 5.272 1.00 0.00 C ATOM 1258 CD1 TYR A 82 -9.910 -14.790 5.388 1.00 0.00 C ATOM 1259 CD2 TYR A 82 -9.882 -12.642 6.420 1.00 0.00 C ATOM 1260 CE1 TYR A 82 -10.184 -15.378 6.608 1.00 0.00 C ATOM 1261 CE2 TYR A 82 -10.154 -13.221 7.644 1.00 0.00 C ATOM 1262 CZ TYR A 82 -10.304 -14.589 7.733 1.00 0.00 C ATOM 1263 OH TYR A 82 -10.576 -15.170 8.950 1.00 0.00 O ATOM 0 H TYR A 82 -7.001 -13.377 4.521 1.00 0.00 H new ATOM 0 HA TYR A 82 -9.022 -14.461 2.673 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.031 -11.786 4.100 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.391 -12.634 3.392 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -9.815 -15.411 4.509 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.766 -11.570 6.354 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.303 -16.449 6.680 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.249 -12.606 8.527 1.00 0.00 H new ATOM 0 HH TYR A 82 -10.628 -14.476 9.640 1.00 0.00 H new ATOM 1273 N GLY A 83 -7.459 -11.577 2.201 1.00 0.00 N ATOM 1274 CA GLY A 83 -6.964 -10.694 1.161 1.00 0.00 C ATOM 1275 C GLY A 83 -7.701 -9.370 1.125 1.00 0.00 C ATOM 1276 O GLY A 83 -8.070 -8.828 2.167 1.00 0.00 O ATOM 0 H GLY A 83 -7.345 -11.226 3.152 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.901 -10.511 1.320 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.061 -11.187 0.194 1.00 0.00 H new ATOM 1280 N SER A 84 -7.917 -8.847 -0.078 1.00 0.00 N ATOM 1281 CA SER A 84 -8.610 -7.575 -0.245 1.00 0.00 C ATOM 1282 C SER A 84 -9.952 -7.588 0.481 1.00 0.00 C ATOM 1283 O SER A 84 -10.291 -6.649 1.202 1.00 0.00 O ATOM 1284 CB SER A 84 -8.825 -7.279 -1.731 1.00 0.00 C ATOM 1285 OG SER A 84 -9.616 -8.282 -2.342 1.00 0.00 O ATOM 0 H SER A 84 -7.622 -9.284 -0.951 1.00 0.00 H new ATOM 0 HA SER A 84 -7.989 -6.791 0.189 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.310 -6.309 -1.845 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.861 -7.215 -2.235 1.00 0.00 H new ATOM 0 HG SER A 84 -9.740 -8.068 -3.290 1.00 0.00 H new ATOM 1291 N LEU A 85 -10.713 -8.660 0.286 1.00 0.00 N ATOM 1292 CA LEU A 85 -12.018 -8.798 0.921 1.00 0.00 C ATOM 1293 C LEU A 85 -11.908 -8.632 2.434 1.00 0.00 C ATOM 1294 O LEU A 85 -12.522 -7.740 3.017 1.00 0.00 O ATOM 1295 CB LEU A 85 -12.628 -10.161 0.589 1.00 0.00 C ATOM 1296 CG LEU A 85 -14.154 -10.245 0.643 1.00 0.00 C ATOM 1297 CD1 LEU A 85 -14.773 -9.429 -0.481 1.00 0.00 C ATOM 1298 CD2 LEU A 85 -14.611 -11.694 0.566 1.00 0.00 C ATOM 0 H LEU A 85 -10.448 -9.446 -0.307 1.00 0.00 H new ATOM 0 HA LEU A 85 -12.667 -8.013 0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.304 -10.448 -0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.219 -10.898 1.280 1.00 0.00 H new ATOM 0 HG LEU A 85 -14.489 -9.829 1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -15.859 -9.500 -0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -14.473 -8.386 -0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -14.431 -9.815 -1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -15.700 -11.735 0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -14.265 -12.135 -0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -14.196 -12.251 1.406 1.00 0.00 H new ATOM 1310 N GLY A 86 -11.118 -9.497 3.063 1.00 0.00 N ATOM 1311 CA GLY A 86 -10.940 -9.429 4.501 1.00 0.00 C ATOM 1312 C GLY A 86 -10.689 -8.015 4.987 1.00 0.00 C ATOM 1313 O GLY A 86 -11.298 -7.568 5.960 1.00 0.00 O ATOM 0 H GLY A 86 -10.598 -10.244 2.602 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -11.827 -9.827 4.993 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -10.103 -10.064 4.791 1.00 0.00 H new ATOM 1317 N LEU A 87 -9.790 -7.309 4.311 1.00 0.00 N ATOM 1318 CA LEU A 87 -9.458 -5.938 4.680 1.00 0.00 C ATOM 1319 C LEU A 87 -10.663 -5.019 4.503 1.00 0.00 C ATOM 1320 O LEU A 87 -11.086 -4.345 5.442 1.00 0.00 O ATOM 1321 CB LEU A 87 -8.287 -5.430 3.837 1.00 0.00 C ATOM 1322 CG LEU A 87 -6.951 -6.146 4.043 1.00 0.00 C ATOM 1323 CD1 LEU A 87 -5.896 -5.587 3.102 1.00 0.00 C ATOM 1324 CD2 LEU A 87 -6.498 -6.021 5.491 1.00 0.00 C ATOM 0 H LEU A 87 -9.277 -7.664 3.504 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.170 -5.931 5.731 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.561 -5.510 2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.145 -4.370 4.050 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.087 -7.203 3.816 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.952 -6.108 3.263 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.217 -5.728 2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.761 -4.523 3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.546 -6.536 5.620 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.378 -4.968 5.745 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.245 -6.470 6.146 1.00 0.00 H new ATOM 1336 N TYR A 88 -11.212 -5.000 3.294 1.00 0.00 N ATOM 1337 CA TYR A 88 -12.369 -4.164 2.993 1.00 0.00 C ATOM 1338 C TYR A 88 -13.471 -4.366 4.029 1.00 0.00 C ATOM 1339 O TYR A 88 -14.003 -3.404 4.582 1.00 0.00 O ATOM 1340 CB TYR A 88 -12.903 -4.481 1.595 1.00 0.00 C ATOM 1341 CG TYR A 88 -14.384 -4.219 1.439 1.00 0.00 C ATOM 1342 CD1 TYR A 88 -14.913 -2.953 1.658 1.00 0.00 C ATOM 1343 CD2 TYR A 88 -15.254 -5.238 1.072 1.00 0.00 C ATOM 1344 CE1 TYR A 88 -16.266 -2.711 1.518 1.00 0.00 C ATOM 1345 CE2 TYR A 88 -16.608 -5.004 0.928 1.00 0.00 C ATOM 1346 CZ TYR A 88 -17.109 -3.739 1.152 1.00 0.00 C ATOM 1347 OH TYR A 88 -18.457 -3.501 1.010 1.00 0.00 O ATOM 0 H TYR A 88 -10.875 -5.554 2.506 1.00 0.00 H new ATOM 0 HA TYR A 88 -12.051 -3.122 3.026 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -12.358 -3.885 0.863 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -12.702 -5.528 1.367 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -14.256 -2.145 1.942 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -14.865 -6.230 0.896 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -16.661 -1.722 1.694 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -17.270 -5.807 0.642 1.00 0.00 H new ATOM 0 HH TYR A 88 -18.910 -4.330 0.747 1.00 0.00 H new ATOM 1357 N VAL A 89 -13.808 -5.626 4.286 1.00 0.00 N ATOM 1358 CA VAL A 89 -14.845 -5.957 5.256 1.00 0.00 C ATOM 1359 C VAL A 89 -14.423 -5.566 6.667 1.00 0.00 C ATOM 1360 O VAL A 89 -15.176 -4.921 7.396 1.00 0.00 O ATOM 1361 CB VAL A 89 -15.179 -7.461 5.230 1.00 0.00 C ATOM 1362 CG1 VAL A 89 -16.150 -7.811 6.347 1.00 0.00 C ATOM 1363 CG2 VAL A 89 -15.746 -7.857 3.875 1.00 0.00 C ATOM 0 H VAL A 89 -13.378 -6.434 3.836 1.00 0.00 H new ATOM 0 HA VAL A 89 -15.733 -5.390 4.975 1.00 0.00 H new ATOM 0 HB VAL A 89 -14.259 -8.023 5.391 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -16.375 -8.877 6.313 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -15.701 -7.565 7.309 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -17.071 -7.242 6.220 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -15.976 -8.922 3.874 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -16.656 -7.289 3.681 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -15.013 -7.644 3.097 1.00 0.00 H new ATOM 1373 N ALA A 90 -13.212 -5.960 7.047 1.00 0.00 N ATOM 1374 CA ALA A 90 -12.687 -5.648 8.371 1.00 0.00 C ATOM 1375 C ALA A 90 -12.906 -4.179 8.716 1.00 0.00 C ATOM 1376 O ALA A 90 -13.483 -3.856 9.754 1.00 0.00 O ATOM 1377 CB ALA A 90 -11.208 -5.996 8.448 1.00 0.00 C ATOM 0 H ALA A 90 -12.576 -6.496 6.457 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.229 -6.250 9.101 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.829 -5.758 9.442 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -11.074 -7.060 8.254 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.659 -5.420 7.703 1.00 0.00 H new ATOM 1383 N GLU A 91 -12.441 -3.294 7.840 1.00 0.00 N ATOM 1384 CA GLU A 91 -12.586 -1.859 8.055 1.00 0.00 C ATOM 1385 C GLU A 91 -14.049 -1.487 8.278 1.00 0.00 C ATOM 1386 O GLU A 91 -14.363 -0.629 9.102 1.00 0.00 O ATOM 1387 CB GLU A 91 -12.027 -1.083 6.861 1.00 0.00 C ATOM 1388 CG GLU A 91 -11.586 0.329 7.205 1.00 0.00 C ATOM 1389 CD GLU A 91 -10.448 0.357 8.207 1.00 0.00 C ATOM 1390 OE1 GLU A 91 -9.288 0.151 7.792 1.00 0.00 O ATOM 1391 OE2 GLU A 91 -10.716 0.585 9.405 1.00 0.00 O ATOM 0 H GLU A 91 -11.961 -3.545 6.976 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.021 -1.593 8.949 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -11.179 -1.629 6.449 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.786 -1.037 6.080 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.276 0.841 6.294 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -12.434 0.882 7.608 1.00 0.00 H new ATOM 1398 N GLN A 92 -14.938 -2.139 7.535 1.00 0.00 N ATOM 1399 CA GLN A 92 -16.368 -1.876 7.651 1.00 0.00 C ATOM 1400 C GLN A 92 -16.888 -2.285 9.025 1.00 0.00 C ATOM 1401 O GLN A 92 -17.540 -1.499 9.712 1.00 0.00 O ATOM 1402 CB GLN A 92 -17.135 -2.623 6.558 1.00 0.00 C ATOM 1403 CG GLN A 92 -16.810 -2.146 5.152 1.00 0.00 C ATOM 1404 CD GLN A 92 -17.516 -0.853 4.796 1.00 0.00 C ATOM 1405 OE1 GLN A 92 -18.489 -0.465 5.444 1.00 0.00 O ATOM 1406 NE2 GLN A 92 -17.029 -0.177 3.762 1.00 0.00 N ATOM 0 H GLN A 92 -14.694 -2.852 6.848 1.00 0.00 H new ATOM 0 HA GLN A 92 -16.526 -0.804 7.528 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -16.912 -3.687 6.632 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -18.205 -2.508 6.733 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -15.733 -2.004 5.060 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -17.092 -2.918 4.436 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -16.221 -0.535 3.253 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -17.463 0.701 3.476 1.00 0.00 H new ATOM 1415 N PHE A 93 -16.596 -3.520 9.419 1.00 0.00 N ATOM 1416 CA PHE A 93 -17.035 -4.035 10.710 1.00 0.00 C ATOM 1417 C PHE A 93 -15.839 -4.386 11.591 1.00 0.00 C ATOM 1418 O PHE A 93 -15.655 -3.813 12.664 1.00 0.00 O ATOM 1419 CB PHE A 93 -17.920 -5.267 10.518 1.00 0.00 C ATOM 1420 CG PHE A 93 -18.900 -5.131 9.387 1.00 0.00 C ATOM 1421 CD1 PHE A 93 -18.530 -5.449 8.091 1.00 0.00 C ATOM 1422 CD2 PHE A 93 -20.190 -4.685 9.622 1.00 0.00 C ATOM 1423 CE1 PHE A 93 -19.429 -5.326 7.048 1.00 0.00 C ATOM 1424 CE2 PHE A 93 -21.094 -4.559 8.583 1.00 0.00 C ATOM 1425 CZ PHE A 93 -20.713 -4.879 7.295 1.00 0.00 C ATOM 0 H PHE A 93 -16.057 -4.183 8.862 1.00 0.00 H new ATOM 0 HA PHE A 93 -17.613 -3.255 11.206 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -17.286 -6.135 10.337 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -18.467 -5.459 11.441 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -17.527 -5.797 7.893 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -20.493 -4.433 10.627 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -19.128 -5.579 6.042 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -22.097 -4.211 8.779 1.00 0.00 H new ATOM 0 HZ PHE A 93 -21.417 -4.780 6.482 1.00 0.00 H new ATOM 1435 N GLY A 94 -15.029 -5.333 11.128 1.00 0.00 N ATOM 1436 CA GLY A 94 -13.862 -5.745 11.886 1.00 0.00 C ATOM 1437 C GLY A 94 -13.411 -7.150 11.538 1.00 0.00 C ATOM 1438 O GLY A 94 -14.195 -7.951 11.029 1.00 0.00 O ATOM 0 H GLY A 94 -15.160 -5.822 10.242 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.046 -5.048 11.698 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.087 -5.692 12.951 1.00 0.00 H new ATOM 1442 N GLU A 95 -12.145 -7.449 11.811 1.00 0.00 N ATOM 1443 CA GLU A 95 -11.592 -8.767 11.520 1.00 0.00 C ATOM 1444 C GLU A 95 -12.528 -9.869 12.008 1.00 0.00 C ATOM 1445 O GLU A 95 -12.865 -10.786 11.261 1.00 0.00 O ATOM 1446 CB GLU A 95 -10.217 -8.923 12.173 1.00 0.00 C ATOM 1447 CG GLU A 95 -9.377 -10.033 11.565 1.00 0.00 C ATOM 1448 CD GLU A 95 -9.742 -11.403 12.105 1.00 0.00 C ATOM 1449 OE1 GLU A 95 -9.775 -11.563 13.343 1.00 0.00 O ATOM 1450 OE2 GLU A 95 -9.994 -12.314 11.289 1.00 0.00 O ATOM 0 H GLU A 95 -11.483 -6.797 12.233 1.00 0.00 H new ATOM 0 HA GLU A 95 -11.485 -8.858 10.439 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -9.675 -7.981 12.089 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -10.350 -9.120 13.237 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -9.503 -10.028 10.482 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.323 -9.837 11.764 1.00 0.00 H new ATOM 1457 N GLU A 96 -12.942 -9.771 13.268 1.00 0.00 N ATOM 1458 CA GLU A 96 -13.837 -10.761 13.856 1.00 0.00 C ATOM 1459 C GLU A 96 -15.110 -10.904 13.027 1.00 0.00 C ATOM 1460 O GLU A 96 -15.657 -11.998 12.895 1.00 0.00 O ATOM 1461 CB GLU A 96 -14.192 -10.370 15.292 1.00 0.00 C ATOM 1462 CG GLU A 96 -12.979 -10.126 16.174 1.00 0.00 C ATOM 1463 CD GLU A 96 -13.249 -10.433 17.635 1.00 0.00 C ATOM 1464 OE1 GLU A 96 -13.472 -11.617 17.961 1.00 0.00 O ATOM 1465 OE2 GLU A 96 -13.236 -9.488 18.451 1.00 0.00 O ATOM 0 H GLU A 96 -12.672 -9.017 13.900 1.00 0.00 H new ATOM 0 HA GLU A 96 -13.320 -11.721 13.865 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -14.804 -9.468 15.273 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -14.800 -11.159 15.735 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -12.150 -10.742 15.824 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -12.667 -9.086 16.077 1.00 0.00 H new ATOM 1472 N ASN A 97 -15.575 -9.790 12.470 1.00 0.00 N ATOM 1473 CA ASN A 97 -16.784 -9.791 11.654 1.00 0.00 C ATOM 1474 C ASN A 97 -16.561 -10.555 10.353 1.00 0.00 C ATOM 1475 O ASN A 97 -17.451 -11.258 9.873 1.00 0.00 O ATOM 1476 CB ASN A 97 -17.218 -8.356 11.349 1.00 0.00 C ATOM 1477 CG ASN A 97 -17.590 -7.586 12.601 1.00 0.00 C ATOM 1478 OD1 ASN A 97 -16.604 -6.940 13.213 1.00 0.00 O flip ATOM 1479 ND2 ASN A 97 -18.750 -7.571 13.014 1.00 0.00 N flip ATOM 0 H ASN A 97 -15.133 -8.876 12.569 1.00 0.00 H new ATOM 0 HA ASN A 97 -17.573 -10.290 12.216 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -16.410 -7.837 10.833 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -18.070 -8.374 10.670 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -19.477 -8.082 12.512 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -18.984 -7.048 13.858 1.00 0.00 H new ATOM 1486 N VAL A 98 -15.367 -10.412 9.786 1.00 0.00 N ATOM 1487 CA VAL A 98 -15.027 -11.090 8.540 1.00 0.00 C ATOM 1488 C VAL A 98 -15.366 -12.574 8.612 1.00 0.00 C ATOM 1489 O VAL A 98 -15.858 -13.156 7.646 1.00 0.00 O ATOM 1490 CB VAL A 98 -13.531 -10.931 8.206 1.00 0.00 C ATOM 1491 CG1 VAL A 98 -13.217 -11.556 6.856 1.00 0.00 C ATOM 1492 CG2 VAL A 98 -13.133 -9.463 8.230 1.00 0.00 C ATOM 0 H VAL A 98 -14.620 -9.833 10.169 1.00 0.00 H new ATOM 0 HA VAL A 98 -15.619 -10.623 7.753 1.00 0.00 H new ATOM 0 HB VAL A 98 -12.949 -11.453 8.965 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -12.156 -11.434 6.637 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -13.463 -12.618 6.880 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.806 -11.065 6.082 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -12.073 -9.369 7.992 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -13.720 -8.915 7.493 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -13.320 -9.052 9.222 1.00 0.00 H new ATOM 1502 N ASN A 99 -15.099 -13.182 9.764 1.00 0.00 N ATOM 1503 CA ASN A 99 -15.376 -14.600 9.962 1.00 0.00 C ATOM 1504 C ASN A 99 -16.806 -14.937 9.551 1.00 0.00 C ATOM 1505 O ASN A 99 -17.054 -15.950 8.896 1.00 0.00 O ATOM 1506 CB ASN A 99 -15.149 -14.986 11.425 1.00 0.00 C ATOM 1507 CG ASN A 99 -13.704 -15.347 11.710 1.00 0.00 C ATOM 1508 OD1 ASN A 99 -13.076 -16.084 10.950 1.00 0.00 O ATOM 1509 ND2 ASN A 99 -13.171 -14.829 12.810 1.00 0.00 N ATOM 0 H ASN A 99 -14.691 -12.715 10.574 1.00 0.00 H new ATOM 0 HA ASN A 99 -14.692 -15.170 9.333 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -15.447 -14.157 12.067 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -15.789 -15.831 11.678 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -12.203 -15.037 13.054 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.730 -14.223 13.411 1.00 0.00 H new ATOM 1516 N THR A 100 -17.746 -14.081 9.941 1.00 0.00 N ATOM 1517 CA THR A 100 -19.151 -14.288 9.614 1.00 0.00 C ATOM 1518 C THR A 100 -19.382 -14.218 8.109 1.00 0.00 C ATOM 1519 O THR A 100 -20.393 -14.705 7.603 1.00 0.00 O ATOM 1520 CB THR A 100 -20.048 -13.246 10.309 1.00 0.00 C ATOM 1521 OG1 THR A 100 -21.400 -13.715 10.352 1.00 0.00 O ATOM 1522 CG2 THR A 100 -19.992 -11.912 9.580 1.00 0.00 C ATOM 0 H THR A 100 -17.559 -13.238 10.484 1.00 0.00 H new ATOM 0 HA THR A 100 -19.416 -15.283 9.973 1.00 0.00 H new ATOM 0 HB THR A 100 -19.681 -13.103 11.325 1.00 0.00 H new ATOM 0 HG1 THR A 100 -21.572 -14.290 9.577 1.00 0.00 H new ATOM 0 HG21 THR A 100 -20.633 -11.192 10.089 1.00 0.00 H new ATOM 0 HG22 THR A 100 -18.966 -11.544 9.574 1.00 0.00 H new ATOM 0 HG23 THR A 100 -20.337 -12.043 8.554 1.00 0.00 H new ATOM 1530 N TYR A 101 -18.439 -13.610 7.398 1.00 0.00 N ATOM 1531 CA TYR A 101 -18.540 -13.475 5.950 1.00 0.00 C ATOM 1532 C TYR A 101 -17.835 -14.629 5.244 1.00 0.00 C ATOM 1533 O TYR A 101 -17.938 -14.785 4.028 1.00 0.00 O ATOM 1534 CB TYR A 101 -17.941 -12.143 5.497 1.00 0.00 C ATOM 1535 CG TYR A 101 -18.853 -10.959 5.726 1.00 0.00 C ATOM 1536 CD1 TYR A 101 -19.870 -10.657 4.829 1.00 0.00 C ATOM 1537 CD2 TYR A 101 -18.699 -10.143 6.840 1.00 0.00 C ATOM 1538 CE1 TYR A 101 -20.706 -9.576 5.033 1.00 0.00 C ATOM 1539 CE2 TYR A 101 -19.531 -9.061 7.053 1.00 0.00 C ATOM 1540 CZ TYR A 101 -20.533 -8.782 6.147 1.00 0.00 C ATOM 1541 OH TYR A 101 -21.363 -7.704 6.355 1.00 0.00 O ATOM 0 H TYR A 101 -17.595 -13.203 7.801 1.00 0.00 H new ATOM 0 HA TYR A 101 -19.596 -13.500 5.682 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -17.004 -11.977 6.028 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -17.700 -12.205 4.436 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -20.010 -11.278 3.957 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -17.916 -10.358 7.551 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -21.490 -9.354 4.324 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -19.398 -8.437 7.924 1.00 0.00 H new ATOM 0 HH TYR A 101 -20.828 -6.924 6.610 1.00 0.00 H new ATOM 1551 N PHE A 102 -17.117 -15.437 6.018 1.00 0.00 N ATOM 1552 CA PHE A 102 -16.393 -16.578 5.469 1.00 0.00 C ATOM 1553 C PHE A 102 -16.951 -17.889 6.014 1.00 0.00 C ATOM 1554 O PHE A 102 -16.268 -18.914 6.018 1.00 0.00 O ATOM 1555 CB PHE A 102 -14.903 -16.469 5.798 1.00 0.00 C ATOM 1556 CG PHE A 102 -14.191 -15.409 5.008 1.00 0.00 C ATOM 1557 CD1 PHE A 102 -14.652 -14.102 5.003 1.00 0.00 C ATOM 1558 CD2 PHE A 102 -13.060 -15.719 4.269 1.00 0.00 C ATOM 1559 CE1 PHE A 102 -13.999 -13.124 4.277 1.00 0.00 C ATOM 1560 CE2 PHE A 102 -12.402 -14.745 3.542 1.00 0.00 C ATOM 1561 CZ PHE A 102 -12.873 -13.446 3.545 1.00 0.00 C ATOM 0 H PHE A 102 -17.021 -15.323 7.027 1.00 0.00 H new ATOM 0 HA PHE A 102 -16.521 -16.571 4.387 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -14.788 -16.257 6.861 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -14.427 -17.431 5.612 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -15.532 -13.845 5.573 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -12.689 -16.733 4.261 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -14.369 -12.109 4.282 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -11.520 -14.999 2.972 1.00 0.00 H new ATOM 0 HZ PHE A 102 -12.362 -12.684 2.976 1.00 0.00 H new