USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 510 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 48 TYR OH : rot 0:sc= -1.83! USER MOD Set 1.2: A 74 HIS : no HD1:sc= -0.151 X(o=-2,f=-1.8) USER MOD Set 2.1: A 51 MET CE :methyl -174:sc= 0 (180deg=0) USER MOD Set 2.2: A 61 MET CE :methyl 154:sc= -3.24! (180deg=-5.85!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 68:sc= 0.408! USER MOD Single : A 29 ASN :FLIP amide:sc= 0 F(o=-0.95,f=0) USER MOD Single : A 34 ASN :FLIP amide:sc= -1.06 F(o=-1.7!,f=-1.1) USER MOD Single : A 37 GLN :FLIP amide:sc= -1.25 F(o=-3.8!,f=-1.3) USER MOD Single : A 38 GLN : amide:sc= -15.9! C(o=-16!,f=-18!) USER MOD Single : A 40 ASN : amide:sc= -0.122 K(o=-0.12,f=-1.2) USER MOD Single : A 43 ASN :FLIP amide:sc= -1.66! C(o=-6.6!,f=-1.7!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.241 X(o=-0.24,f=0) USER MOD Single : A 56 ASN : amide:sc= -5.87! C(o=-5.9!,f=-6.2!) USER MOD Single : A 59 GLN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -1.74! USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 69 GLN :FLIP amide:sc= -8.52! C(o=-10!,f=-8.5!) USER MOD Single : A 71 LYS NZ :NH3+ 141:sc= -0.0702 (180deg=-0.389) USER MOD Single : A 78 THR OG1 : rot -95:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 196 N VAL A 14 -7.101 8.817 0.642 1.00 0.00 N ATOM 197 CA VAL A 14 -7.277 9.098 -0.778 1.00 0.00 C ATOM 198 C VAL A 14 -6.011 9.713 -1.372 1.00 0.00 C ATOM 199 O VAL A 14 -5.574 9.332 -2.459 1.00 0.00 O ATOM 200 CB VAL A 14 -8.482 10.046 -1.005 1.00 0.00 C ATOM 201 CG1 VAL A 14 -8.423 10.700 -2.373 1.00 0.00 C ATOM 202 CG2 VAL A 14 -9.791 9.292 -0.844 1.00 0.00 C ATOM 0 HA VAL A 14 -7.475 8.152 -1.283 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.429 10.832 -0.252 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.283 11.358 -2.499 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.505 11.282 -2.459 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.439 9.931 -3.145 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.626 9.974 -1.007 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.836 8.482 -1.572 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.851 8.879 0.163 1.00 0.00 H new ATOM 212 N THR A 15 -5.427 10.670 -0.660 1.00 0.00 N ATOM 213 CA THR A 15 -4.146 11.233 -1.069 1.00 0.00 C ATOM 214 C THR A 15 -3.097 10.125 -1.183 1.00 0.00 C ATOM 215 O THR A 15 -2.459 9.950 -2.230 1.00 0.00 O ATOM 216 CB THR A 15 -3.677 12.306 -0.073 1.00 0.00 C ATOM 217 OG1 THR A 15 -4.739 13.244 0.143 1.00 0.00 O ATOM 218 CG2 THR A 15 -2.449 13.038 -0.596 1.00 0.00 C ATOM 0 H THR A 15 -5.815 11.069 0.195 1.00 0.00 H new ATOM 0 HA THR A 15 -4.274 11.704 -2.044 1.00 0.00 H new ATOM 0 HB THR A 15 -3.410 11.818 0.865 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.446 13.930 0.779 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.139 13.791 0.128 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.638 12.326 -0.749 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.690 13.522 -1.543 1.00 0.00 H new ATOM 226 N GLU A 16 -2.959 9.345 -0.114 1.00 0.00 N ATOM 227 CA GLU A 16 -2.070 8.198 -0.122 1.00 0.00 C ATOM 228 C GLU A 16 -2.462 7.244 -1.231 1.00 0.00 C ATOM 229 O GLU A 16 -1.606 6.655 -1.855 1.00 0.00 O ATOM 230 CB GLU A 16 -2.093 7.459 1.219 1.00 0.00 C ATOM 231 CG GLU A 16 -1.567 8.282 2.383 1.00 0.00 C ATOM 232 CD GLU A 16 -1.575 7.519 3.692 1.00 0.00 C ATOM 233 OE1 GLU A 16 -2.666 7.310 4.261 1.00 0.00 O ATOM 234 OE2 GLU A 16 -0.485 7.155 4.187 1.00 0.00 O ATOM 0 H GLU A 16 -3.453 9.490 0.766 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.058 8.566 -0.292 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.116 7.152 1.436 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.499 6.549 1.132 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.550 8.606 2.163 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.172 9.182 2.489 1.00 0.00 H new ATOM 241 N LEU A 17 -3.759 7.141 -1.504 1.00 0.00 N ATOM 242 CA LEU A 17 -4.267 6.211 -2.485 1.00 0.00 C ATOM 243 C LEU A 17 -3.619 6.495 -3.841 1.00 0.00 C ATOM 244 O LEU A 17 -3.109 5.592 -4.516 1.00 0.00 O ATOM 245 CB LEU A 17 -5.800 6.302 -2.540 1.00 0.00 C ATOM 246 CG LEU A 17 -6.415 6.578 -3.906 1.00 0.00 C ATOM 247 CD1 LEU A 17 -6.382 5.337 -4.791 1.00 0.00 C ATOM 248 CD2 LEU A 17 -7.841 7.081 -3.756 1.00 0.00 C ATOM 0 H LEU A 17 -4.479 7.702 -1.048 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.012 5.189 -2.206 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.211 5.365 -2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.120 7.088 -1.856 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.818 7.351 -4.389 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.828 5.568 -5.758 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.349 5.020 -4.934 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.945 4.535 -4.314 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.265 7.273 -4.742 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.440 6.328 -3.244 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.842 8.003 -3.175 1.00 0.00 H new ATOM 260 N GLU A 18 -3.606 7.773 -4.208 1.00 0.00 N ATOM 261 CA GLU A 18 -2.961 8.218 -5.436 1.00 0.00 C ATOM 262 C GLU A 18 -1.455 7.981 -5.362 1.00 0.00 C ATOM 263 O GLU A 18 -0.805 7.695 -6.367 1.00 0.00 O ATOM 264 CB GLU A 18 -3.234 9.702 -5.671 1.00 0.00 C ATOM 265 CG GLU A 18 -4.709 10.048 -5.784 1.00 0.00 C ATOM 266 CD GLU A 18 -5.378 9.380 -6.966 1.00 0.00 C ATOM 267 OE1 GLU A 18 -4.964 9.645 -8.114 1.00 0.00 O ATOM 268 OE2 GLU A 18 -6.320 8.592 -6.754 1.00 0.00 O ATOM 0 H GLU A 18 -4.038 8.522 -3.667 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.372 7.643 -6.266 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.798 10.275 -4.853 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.727 10.014 -6.584 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.219 9.750 -4.868 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.818 11.129 -5.873 1.00 0.00 H new ATOM 275 N CYS A 19 -0.915 8.069 -4.155 1.00 0.00 N ATOM 276 CA CYS A 19 0.512 7.917 -3.935 1.00 0.00 C ATOM 277 C CYS A 19 0.865 6.453 -3.711 1.00 0.00 C ATOM 278 O CYS A 19 2.017 6.109 -3.478 1.00 0.00 O ATOM 279 CB CYS A 19 0.969 8.801 -2.776 1.00 0.00 C ATOM 280 SG CYS A 19 0.655 10.574 -3.076 1.00 0.00 S ATOM 0 H CYS A 19 -1.452 8.247 -3.306 1.00 0.00 H new ATOM 0 HA CYS A 19 1.046 8.246 -4.826 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.454 8.494 -1.865 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.035 8.649 -2.607 1.00 0.00 H new ATOM 285 N ILE A 20 -0.154 5.606 -3.726 1.00 0.00 N ATOM 286 CA ILE A 20 0.034 4.160 -3.782 1.00 0.00 C ATOM 287 C ILE A 20 0.065 3.720 -5.244 1.00 0.00 C ATOM 288 O ILE A 20 0.812 2.825 -5.635 1.00 0.00 O ATOM 289 CB ILE A 20 -1.108 3.405 -3.053 1.00 0.00 C ATOM 290 CG1 ILE A 20 -1.222 3.859 -1.593 1.00 0.00 C ATOM 291 CG2 ILE A 20 -0.894 1.898 -3.127 1.00 0.00 C ATOM 292 CD1 ILE A 20 -2.442 3.313 -0.885 1.00 0.00 C ATOM 0 H ILE A 20 -1.131 5.898 -3.700 1.00 0.00 H new ATOM 0 HA ILE A 20 0.973 3.920 -3.283 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.043 3.645 -3.559 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.328 3.547 -1.053 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.250 4.948 -1.561 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.707 1.389 -2.609 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.876 1.584 -4.171 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.054 1.641 -2.654 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.458 3.675 0.143 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.342 3.647 -1.401 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.406 2.224 -0.886 1.00 0.00 H new ATOM 304 N ARG A 21 -0.751 4.384 -6.052 1.00 0.00 N ATOM 305 CA ARG A 21 -0.866 4.069 -7.476 1.00 0.00 C ATOM 306 C ARG A 21 0.167 4.812 -8.314 1.00 0.00 C ATOM 307 O ARG A 21 0.213 4.643 -9.532 1.00 0.00 O ATOM 308 CB ARG A 21 -2.253 4.428 -7.993 1.00 0.00 C ATOM 309 CG ARG A 21 -3.387 3.634 -7.369 1.00 0.00 C ATOM 310 CD ARG A 21 -4.731 4.073 -7.928 1.00 0.00 C ATOM 311 NE ARG A 21 -4.780 3.958 -9.386 1.00 0.00 N ATOM 312 CZ ARG A 21 -5.897 4.050 -10.104 1.00 0.00 C ATOM 313 NH1 ARG A 21 -7.050 4.339 -9.512 1.00 0.00 N ATOM 314 NH2 ARG A 21 -5.848 3.887 -11.420 1.00 0.00 N ATOM 0 H ARG A 21 -1.349 5.151 -5.745 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.690 2.998 -7.572 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.429 5.489 -7.815 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.274 4.278 -9.072 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -3.239 2.571 -7.560 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.378 3.768 -6.287 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.522 3.465 -7.489 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.925 5.106 -7.639 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.904 3.797 -9.883 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.082 4.491 -8.504 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.904 4.409 -10.065 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.957 3.692 -11.877 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.701 3.957 -11.975 1.00 0.00 H new ATOM 328 N LEU A 22 0.973 5.642 -7.666 1.00 0.00 N ATOM 329 CA LEU A 22 1.940 6.513 -8.348 1.00 0.00 C ATOM 330 C LEU A 22 3.033 5.739 -9.110 1.00 0.00 C ATOM 331 O LEU A 22 4.009 6.330 -9.576 1.00 0.00 O ATOM 332 CB LEU A 22 2.568 7.490 -7.320 1.00 0.00 C ATOM 333 CG LEU A 22 3.623 6.942 -6.314 1.00 0.00 C ATOM 334 CD1 LEU A 22 3.342 5.508 -5.879 1.00 0.00 C ATOM 335 CD2 LEU A 22 5.035 7.070 -6.867 1.00 0.00 C ATOM 0 H LEU A 22 0.980 5.736 -6.650 1.00 0.00 H new ATOM 0 HA LEU A 22 1.392 7.071 -9.107 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.034 8.302 -7.878 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.755 7.927 -6.741 1.00 0.00 H new ATOM 0 HG LEU A 22 3.542 7.563 -5.422 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.111 5.183 -5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.367 5.459 -5.395 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.347 4.855 -6.752 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.747 6.679 -6.141 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.115 6.504 -7.795 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.256 8.119 -7.062 1.00 0.00 H new ATOM 347 N ARG A 23 2.824 4.433 -9.280 1.00 0.00 N ATOM 348 CA ARG A 23 3.845 3.526 -9.792 1.00 0.00 C ATOM 349 C ARG A 23 5.080 3.609 -8.905 1.00 0.00 C ATOM 350 O ARG A 23 6.091 4.214 -9.268 1.00 0.00 O ATOM 351 CB ARG A 23 4.211 3.831 -11.250 1.00 0.00 C ATOM 352 CG ARG A 23 5.101 2.765 -11.870 1.00 0.00 C ATOM 353 CD ARG A 23 5.560 3.147 -13.264 1.00 0.00 C ATOM 354 NE ARG A 23 6.332 2.075 -13.892 1.00 0.00 N ATOM 355 CZ ARG A 23 7.415 2.270 -14.643 1.00 0.00 C ATOM 356 NH1 ARG A 23 7.879 3.494 -14.851 1.00 0.00 N ATOM 357 NH2 ARG A 23 8.045 1.236 -15.181 1.00 0.00 N ATOM 0 H ARG A 23 1.938 3.976 -9.065 1.00 0.00 H new ATOM 0 HA ARG A 23 3.441 2.514 -9.772 1.00 0.00 H new ATOM 0 HB2 ARG A 23 3.297 3.922 -11.838 1.00 0.00 H new ATOM 0 HB3 ARG A 23 4.718 4.795 -11.298 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.971 2.604 -11.233 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.559 1.820 -11.913 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.693 3.381 -13.881 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.167 4.051 -13.212 1.00 0.00 H new ATOM 0 HE ARG A 23 6.021 1.115 -13.745 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.406 4.296 -14.435 1.00 0.00 H new ATOM 0 HH12 ARG A 23 8.709 3.634 -15.427 1.00 0.00 H new ATOM 0 HH21 ARG A 23 7.701 0.289 -15.020 1.00 0.00 H new ATOM 0 HH22 ARG A 23 8.874 1.387 -15.756 1.00 0.00 H new ATOM 371 N ILE A 24 4.977 3.010 -7.730 1.00 0.00 N ATOM 372 CA ILE A 24 6.037 3.077 -6.740 1.00 0.00 C ATOM 373 C ILE A 24 7.281 2.335 -7.232 1.00 0.00 C ATOM 374 O ILE A 24 7.239 1.614 -8.227 1.00 0.00 O ATOM 375 CB ILE A 24 5.575 2.504 -5.383 1.00 0.00 C ATOM 376 CG1 ILE A 24 4.040 2.441 -5.318 1.00 0.00 C ATOM 377 CG2 ILE A 24 6.119 3.342 -4.243 1.00 0.00 C ATOM 378 CD1 ILE A 24 3.462 2.395 -3.913 1.00 0.00 C ATOM 0 H ILE A 24 4.163 2.468 -7.438 1.00 0.00 H new ATOM 0 HA ILE A 24 6.289 4.128 -6.595 1.00 0.00 H new ATOM 0 HB ILE A 24 5.965 1.491 -5.286 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.633 3.310 -5.835 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.703 1.559 -5.863 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.784 2.925 -3.293 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.208 3.339 -4.277 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.756 4.365 -4.338 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.374 2.352 -3.968 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.834 1.511 -3.395 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.762 3.289 -3.367 1.00 0.00 H new ATOM 390 N SER A 25 8.373 2.505 -6.510 1.00 0.00 N ATOM 391 CA SER A 25 9.684 2.075 -6.986 1.00 0.00 C ATOM 392 C SER A 25 10.196 0.809 -6.267 1.00 0.00 C ATOM 393 O SER A 25 10.743 -0.076 -6.922 1.00 0.00 O ATOM 394 CB SER A 25 10.692 3.226 -6.855 1.00 0.00 C ATOM 395 OG SER A 25 11.930 2.920 -7.472 1.00 0.00 O ATOM 0 H SER A 25 8.382 2.939 -5.587 1.00 0.00 H new ATOM 0 HA SER A 25 9.576 1.807 -8.037 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.275 4.126 -7.306 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.857 3.445 -5.800 1.00 0.00 H new ATOM 0 HG SER A 25 12.543 3.677 -7.368 1.00 0.00 H new ATOM 401 N PRO A 26 10.087 0.727 -4.914 1.00 0.00 N ATOM 402 CA PRO A 26 10.418 -0.495 -4.138 1.00 0.00 C ATOM 403 C PRO A 26 9.784 -1.801 -4.657 1.00 0.00 C ATOM 404 O PRO A 26 9.272 -1.871 -5.771 1.00 0.00 O ATOM 405 CB PRO A 26 9.846 -0.149 -2.762 1.00 0.00 C ATOM 406 CG PRO A 26 10.083 1.302 -2.647 1.00 0.00 C ATOM 407 CD PRO A 26 9.750 1.843 -4.002 1.00 0.00 C ATOM 0 HA PRO A 26 11.486 -0.709 -4.181 1.00 0.00 H new ATOM 0 HB2 PRO A 26 8.785 -0.389 -2.696 1.00 0.00 H new ATOM 0 HB3 PRO A 26 10.348 -0.702 -1.968 1.00 0.00 H new ATOM 0 HG2 PRO A 26 9.454 1.747 -1.876 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.117 1.515 -2.377 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.698 2.118 -4.077 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.330 2.737 -4.231 1.00 0.00 H new ATOM 415 N GLU A 27 9.806 -2.840 -3.817 1.00 0.00 N ATOM 416 CA GLU A 27 9.165 -4.126 -4.139 1.00 0.00 C ATOM 417 C GLU A 27 7.656 -3.982 -4.286 1.00 0.00 C ATOM 418 O GLU A 27 6.955 -4.966 -4.508 1.00 0.00 O ATOM 419 CB GLU A 27 9.456 -5.187 -3.084 1.00 0.00 C ATOM 420 CG GLU A 27 10.931 -5.414 -2.832 1.00 0.00 C ATOM 421 CD GLU A 27 11.742 -5.503 -4.108 1.00 0.00 C ATOM 422 OE1 GLU A 27 11.633 -6.522 -4.816 1.00 0.00 O ATOM 423 OE2 GLU A 27 12.493 -4.548 -4.403 1.00 0.00 O ATOM 0 H GLU A 27 10.262 -2.819 -2.905 1.00 0.00 H new ATOM 0 HA GLU A 27 9.591 -4.444 -5.091 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.978 -4.896 -2.149 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.002 -6.128 -3.394 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.318 -4.601 -2.218 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.059 -6.334 -2.261 1.00 0.00 H new ATOM 430 N THR A 28 7.183 -2.755 -4.110 1.00 0.00 N ATOM 431 CA THR A 28 5.779 -2.392 -4.203 1.00 0.00 C ATOM 432 C THR A 28 4.979 -3.241 -5.199 1.00 0.00 C ATOM 433 O THR A 28 3.979 -3.842 -4.824 1.00 0.00 O ATOM 434 CB THR A 28 5.677 -0.913 -4.619 1.00 0.00 C ATOM 435 OG1 THR A 28 4.318 -0.554 -4.872 1.00 0.00 O ATOM 436 CG2 THR A 28 6.509 -0.654 -5.860 1.00 0.00 C ATOM 0 H THR A 28 7.786 -1.962 -3.892 1.00 0.00 H new ATOM 0 HA THR A 28 5.344 -2.573 -3.220 1.00 0.00 H new ATOM 0 HB THR A 28 6.058 -0.304 -3.799 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.812 -0.577 -4.033 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.426 0.396 -6.141 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.552 -0.894 -5.655 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.147 -1.278 -6.677 1.00 0.00 H new ATOM 444 N ASN A 29 5.423 -3.327 -6.443 1.00 0.00 N ATOM 445 CA ASN A 29 4.625 -3.980 -7.463 1.00 0.00 C ATOM 446 C ASN A 29 4.580 -5.476 -7.216 1.00 0.00 C ATOM 447 O ASN A 29 3.513 -6.066 -7.206 1.00 0.00 O ATOM 448 CB ASN A 29 5.147 -3.668 -8.868 1.00 0.00 C ATOM 449 CG ASN A 29 5.123 -2.179 -9.203 1.00 0.00 C ATOM 450 OD1 ASN A 29 4.204 -1.424 -8.599 1.00 0.00 O flip ATOM 451 ND2 ASN A 29 5.928 -1.711 -10.005 1.00 0.00 N flip ATOM 0 H ASN A 29 6.318 -2.959 -6.766 1.00 0.00 H new ATOM 0 HA ASN A 29 3.610 -3.588 -7.402 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.168 -4.038 -8.959 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.546 -4.208 -9.600 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.618 -2.318 -10.448 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.907 -0.716 -10.227 1.00 0.00 H new ATOM 458 N ALA A 30 5.732 -6.080 -6.968 1.00 0.00 N ATOM 459 CA ALA A 30 5.785 -7.506 -6.680 1.00 0.00 C ATOM 460 C ALA A 30 4.979 -7.826 -5.423 1.00 0.00 C ATOM 461 O ALA A 30 4.022 -8.613 -5.452 1.00 0.00 O ATOM 462 CB ALA A 30 7.233 -7.955 -6.515 1.00 0.00 C ATOM 0 H ALA A 30 6.637 -5.610 -6.960 1.00 0.00 H new ATOM 0 HA ALA A 30 5.345 -8.049 -7.517 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.260 -9.023 -6.300 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.783 -7.756 -7.435 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.692 -7.407 -5.692 1.00 0.00 H new ATOM 468 N ALA A 31 5.346 -7.162 -4.337 1.00 0.00 N ATOM 469 CA ALA A 31 4.765 -7.431 -3.036 1.00 0.00 C ATOM 470 C ALA A 31 3.283 -7.091 -2.996 1.00 0.00 C ATOM 471 O ALA A 31 2.457 -7.984 -2.850 1.00 0.00 O ATOM 472 CB ALA A 31 5.510 -6.668 -1.957 1.00 0.00 C ATOM 0 H ALA A 31 6.052 -6.426 -4.335 1.00 0.00 H new ATOM 0 HA ALA A 31 4.862 -8.500 -2.849 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.062 -6.880 -0.986 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.556 -6.976 -1.949 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.448 -5.599 -2.159 1.00 0.00 H new ATOM 478 N PHE A 32 2.945 -5.806 -3.116 1.00 0.00 N ATOM 479 CA PHE A 32 1.548 -5.378 -3.048 1.00 0.00 C ATOM 480 C PHE A 32 0.670 -6.070 -4.083 1.00 0.00 C ATOM 481 O PHE A 32 -0.460 -6.382 -3.787 1.00 0.00 O ATOM 482 CB PHE A 32 1.406 -3.867 -3.214 1.00 0.00 C ATOM 483 CG PHE A 32 2.311 -3.144 -2.297 1.00 0.00 C ATOM 484 CD1 PHE A 32 2.623 -3.701 -1.085 1.00 0.00 C ATOM 485 CD2 PHE A 32 2.899 -1.956 -2.663 1.00 0.00 C ATOM 486 CE1 PHE A 32 3.517 -3.105 -0.258 1.00 0.00 C ATOM 487 CE2 PHE A 32 3.788 -1.340 -1.822 1.00 0.00 C ATOM 488 CZ PHE A 32 4.100 -1.930 -0.618 1.00 0.00 C ATOM 0 H PHE A 32 3.614 -5.049 -3.260 1.00 0.00 H new ATOM 0 HA PHE A 32 1.208 -5.667 -2.054 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.629 -3.589 -4.244 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.375 -3.572 -3.020 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.152 -4.625 -0.785 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.659 -1.507 -3.616 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.766 -3.564 0.687 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.240 -0.400 -2.101 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.811 -1.458 0.044 1.00 0.00 H new ATOM 498 N ASP A 33 1.160 -6.322 -5.294 1.00 0.00 N ATOM 499 CA ASP A 33 0.289 -6.907 -6.304 1.00 0.00 C ATOM 500 C ASP A 33 -0.101 -8.303 -5.872 1.00 0.00 C ATOM 501 O ASP A 33 -1.265 -8.663 -5.935 1.00 0.00 O ATOM 502 CB ASP A 33 0.932 -6.942 -7.689 1.00 0.00 C ATOM 503 CG ASP A 33 -0.012 -7.508 -8.737 1.00 0.00 C ATOM 504 OD1 ASP A 33 -0.897 -6.768 -9.221 1.00 0.00 O ATOM 505 OD2 ASP A 33 0.115 -8.702 -9.070 1.00 0.00 O ATOM 0 H ASP A 33 2.118 -6.138 -5.591 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.595 -6.275 -6.388 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.231 -5.934 -7.976 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.839 -7.546 -7.653 1.00 0.00 H new ATOM 510 N ASN A 34 0.880 -9.062 -5.388 1.00 0.00 N ATOM 511 CA ASN A 34 0.629 -10.385 -4.820 1.00 0.00 C ATOM 512 C ASN A 34 -0.179 -10.266 -3.523 1.00 0.00 C ATOM 513 O ASN A 34 -1.031 -11.100 -3.210 1.00 0.00 O ATOM 514 CB ASN A 34 1.963 -11.083 -4.550 1.00 0.00 C ATOM 515 CG ASN A 34 1.812 -12.425 -3.866 1.00 0.00 C ATOM 516 OD1 ASN A 34 2.789 -12.762 -3.039 1.00 0.00 O flip ATOM 517 ND2 ASN A 34 0.839 -13.150 -4.076 1.00 0.00 N flip ATOM 0 H ASN A 34 1.861 -8.782 -5.378 1.00 0.00 H new ATOM 0 HA ASN A 34 0.050 -10.975 -5.530 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.489 -11.222 -5.494 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.584 -10.436 -3.931 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.109 -12.850 -4.722 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.763 -14.051 -3.604 1.00 0.00 H new ATOM 524 N ALA A 35 0.075 -9.205 -2.784 1.00 0.00 N ATOM 525 CA ALA A 35 -0.545 -9.012 -1.486 1.00 0.00 C ATOM 526 C ALA A 35 -1.986 -8.540 -1.603 1.00 0.00 C ATOM 527 O ALA A 35 -2.902 -9.152 -1.054 1.00 0.00 O ATOM 528 CB ALA A 35 0.259 -8.032 -0.675 1.00 0.00 C ATOM 0 H ALA A 35 0.711 -8.458 -3.062 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.561 -9.978 -0.982 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.212 -7.892 0.298 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.269 -8.417 -0.537 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.303 -7.077 -1.198 1.00 0.00 H new ATOM 534 N VAL A 36 -2.184 -7.447 -2.304 1.00 0.00 N ATOM 535 CA VAL A 36 -3.506 -6.930 -2.550 1.00 0.00 C ATOM 536 C VAL A 36 -4.309 -7.973 -3.314 1.00 0.00 C ATOM 537 O VAL A 36 -5.533 -8.018 -3.236 1.00 0.00 O ATOM 538 CB VAL A 36 -3.446 -5.618 -3.346 1.00 0.00 C ATOM 539 CG1 VAL A 36 -4.831 -5.026 -3.462 1.00 0.00 C ATOM 540 CG2 VAL A 36 -2.474 -4.630 -2.705 1.00 0.00 C ATOM 0 H VAL A 36 -1.433 -6.894 -2.718 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.988 -6.717 -1.596 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.074 -5.833 -4.348 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.783 -4.095 -4.028 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.486 -5.730 -3.976 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.225 -4.825 -2.466 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.452 -3.710 -3.290 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.800 -4.406 -1.689 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.476 -5.067 -2.678 1.00 0.00 H new ATOM 550 N GLN A 37 -3.586 -8.798 -4.056 1.00 0.00 N ATOM 551 CA GLN A 37 -4.126 -10.004 -4.658 1.00 0.00 C ATOM 552 C GLN A 37 -4.798 -10.892 -3.606 1.00 0.00 C ATOM 553 O GLN A 37 -5.949 -11.291 -3.778 1.00 0.00 O ATOM 554 CB GLN A 37 -2.977 -10.731 -5.346 1.00 0.00 C ATOM 555 CG GLN A 37 -3.244 -12.172 -5.725 1.00 0.00 C ATOM 556 CD GLN A 37 -2.030 -12.814 -6.364 1.00 0.00 C ATOM 557 OE1 GLN A 37 -1.199 -12.004 -7.004 1.00 0.00 O flip ATOM 558 NE2 GLN A 37 -1.829 -14.022 -6.267 1.00 0.00 N flip ATOM 0 H GLN A 37 -2.598 -8.646 -4.258 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.896 -9.750 -5.386 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.712 -10.180 -6.249 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.108 -10.703 -4.689 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.529 -12.736 -4.837 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.086 -12.217 -6.415 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.494 -14.611 -5.766 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.997 -14.436 -6.688 1.00 0.00 H new ATOM 567 N GLN A 38 -4.078 -11.191 -2.520 1.00 0.00 N ATOM 568 CA GLN A 38 -4.631 -11.993 -1.416 1.00 0.00 C ATOM 569 C GLN A 38 -5.919 -11.399 -0.891 1.00 0.00 C ATOM 570 O GLN A 38 -6.991 -11.989 -1.006 1.00 0.00 O ATOM 571 CB GLN A 38 -3.695 -12.025 -0.219 1.00 0.00 C ATOM 572 CG GLN A 38 -2.241 -12.022 -0.548 1.00 0.00 C ATOM 573 CD GLN A 38 -1.478 -11.621 0.672 1.00 0.00 C ATOM 574 OE1 GLN A 38 -0.975 -12.469 1.388 1.00 0.00 O ATOM 575 NE2 GLN A 38 -1.473 -10.312 0.955 1.00 0.00 N ATOM 0 H GLN A 38 -3.113 -10.892 -2.379 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.783 -12.988 -1.834 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.910 -11.163 0.413 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.916 -12.915 0.370 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.927 -13.010 -0.883 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.039 -11.329 -1.365 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.911 -9.650 0.315 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.031 -9.977 1.811 1.00 0.00 H new ATOM 584 N LEU A 39 -5.783 -10.219 -0.294 1.00 0.00 N ATOM 585 CA LEU A 39 -6.893 -9.579 0.396 1.00 0.00 C ATOM 586 C LEU A 39 -8.003 -9.258 -0.581 1.00 0.00 C ATOM 587 O LEU A 39 -9.179 -9.430 -0.263 1.00 0.00 O ATOM 588 CB LEU A 39 -6.443 -8.290 1.100 1.00 0.00 C ATOM 589 CG LEU A 39 -5.074 -7.736 0.695 1.00 0.00 C ATOM 590 CD1 LEU A 39 -5.041 -6.235 0.882 1.00 0.00 C ATOM 591 CD2 LEU A 39 -3.976 -8.362 1.541 1.00 0.00 C ATOM 0 H LEU A 39 -4.913 -9.687 -0.275 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.260 -10.276 1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.192 -7.520 0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.433 -8.473 2.175 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.907 -7.979 -0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.062 -5.853 0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.810 -5.774 0.262 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.227 -5.995 1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.010 -7.957 1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.153 -8.135 2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.977 -9.443 1.397 1.00 0.00 H new ATOM 603 N ASN A 40 -7.611 -8.826 -1.769 1.00 0.00 N ATOM 604 CA ASN A 40 -8.554 -8.374 -2.795 1.00 0.00 C ATOM 605 C ASN A 40 -9.629 -7.496 -2.165 1.00 0.00 C ATOM 606 O ASN A 40 -10.831 -7.695 -2.350 1.00 0.00 O ATOM 607 CB ASN A 40 -9.156 -9.573 -3.530 1.00 0.00 C ATOM 608 CG ASN A 40 -9.969 -9.174 -4.750 1.00 0.00 C ATOM 609 OD1 ASN A 40 -9.786 -8.092 -5.308 1.00 0.00 O ATOM 610 ND2 ASN A 40 -10.846 -10.060 -5.193 1.00 0.00 N ATOM 0 H ASN A 40 -6.633 -8.777 -2.055 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.024 -7.772 -3.533 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.354 -10.243 -3.838 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.792 -10.131 -2.843 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -11.400 -9.857 -6.025 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -10.968 -10.946 -4.702 1.00 0.00 H new ATOM 617 N CYS A 41 -9.150 -6.542 -1.377 1.00 0.00 N ATOM 618 CA CYS A 41 -10.009 -5.609 -0.652 1.00 0.00 C ATOM 619 C CYS A 41 -10.957 -4.894 -1.603 1.00 0.00 C ATOM 620 O CYS A 41 -12.148 -4.746 -1.326 1.00 0.00 O ATOM 621 CB CYS A 41 -9.139 -4.585 0.084 1.00 0.00 C ATOM 622 SG CYS A 41 -9.969 -3.708 1.451 1.00 0.00 S ATOM 0 H CYS A 41 -8.153 -6.391 -1.221 1.00 0.00 H new ATOM 0 HA CYS A 41 -10.607 -6.169 0.067 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -8.261 -5.095 0.480 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.783 -3.849 -0.637 1.00 0.00 H new ATOM 627 N LEU A 42 -10.399 -4.496 -2.739 1.00 0.00 N ATOM 628 CA LEU A 42 -11.103 -3.726 -3.759 1.00 0.00 C ATOM 629 C LEU A 42 -10.071 -3.210 -4.750 1.00 0.00 C ATOM 630 O LEU A 42 -10.302 -3.170 -5.955 1.00 0.00 O ATOM 631 CB LEU A 42 -11.873 -2.550 -3.128 1.00 0.00 C ATOM 632 CG LEU A 42 -12.966 -1.910 -3.993 1.00 0.00 C ATOM 633 CD1 LEU A 42 -13.953 -1.169 -3.108 1.00 0.00 C ATOM 634 CD2 LEU A 42 -12.368 -0.956 -5.018 1.00 0.00 C ATOM 0 H LEU A 42 -9.430 -4.702 -2.982 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.832 -4.360 -4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.330 -2.898 -2.202 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.154 -1.776 -2.858 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.484 -2.703 -4.532 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -14.728 -0.716 -3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.410 -1.868 -2.408 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -13.430 -0.390 -2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -13.167 -0.518 -5.616 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.823 -0.164 -4.504 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.685 -1.502 -5.669 1.00 0.00 H new ATOM 646 N ASN A 43 -8.916 -2.846 -4.210 1.00 0.00 N ATOM 647 CA ASN A 43 -7.806 -2.319 -4.994 1.00 0.00 C ATOM 648 C ASN A 43 -6.606 -2.135 -4.087 1.00 0.00 C ATOM 649 O ASN A 43 -6.700 -2.426 -2.888 1.00 0.00 O ATOM 650 CB ASN A 43 -8.167 -0.995 -5.689 1.00 0.00 C ATOM 651 CG ASN A 43 -8.343 0.175 -4.735 1.00 0.00 C ATOM 652 OD1 ASN A 43 -8.787 -0.097 -3.516 1.00 0.00 O flip ATOM 653 ND2 ASN A 43 -8.072 1.315 -5.090 1.00 0.00 N flip ATOM 0 H ASN A 43 -8.721 -2.908 -3.211 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.571 -3.034 -5.783 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.386 -0.750 -6.409 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.089 -1.132 -6.254 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.732 1.487 -6.036 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.186 2.092 -4.439 1.00 0.00 H new ATOM 660 N ARG A 44 -5.500 -1.651 -4.630 1.00 0.00 N ATOM 661 CA ARG A 44 -4.285 -1.480 -3.838 1.00 0.00 C ATOM 662 C ARG A 44 -4.519 -0.479 -2.712 1.00 0.00 C ATOM 663 O ARG A 44 -3.893 -0.557 -1.656 1.00 0.00 O ATOM 664 CB ARG A 44 -3.105 -1.029 -4.706 1.00 0.00 C ATOM 665 CG ARG A 44 -2.437 -2.144 -5.509 1.00 0.00 C ATOM 666 CD ARG A 44 -3.250 -2.551 -6.732 1.00 0.00 C ATOM 667 NE ARG A 44 -3.844 -3.883 -6.600 1.00 0.00 N ATOM 668 CZ ARG A 44 -3.397 -4.960 -7.248 1.00 0.00 C ATOM 669 NH1 ARG A 44 -2.343 -4.861 -8.052 1.00 0.00 N ATOM 670 NH2 ARG A 44 -4.007 -6.130 -7.100 1.00 0.00 N ATOM 0 H ARG A 44 -5.415 -1.371 -5.607 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.034 -2.450 -3.408 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.453 -0.261 -5.397 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.357 -0.564 -4.064 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.448 -1.815 -5.827 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.293 -3.013 -4.867 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.041 -1.820 -6.896 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.608 -2.530 -7.613 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.645 -3.994 -5.978 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.877 -3.962 -8.173 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.001 -5.684 -8.548 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.820 -6.207 -6.489 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.662 -6.951 -7.597 1.00 0.00 H new ATOM 684 N ALA A 45 -5.451 0.441 -2.932 1.00 0.00 N ATOM 685 CA ALA A 45 -5.757 1.459 -1.942 1.00 0.00 C ATOM 686 C ALA A 45 -6.452 0.856 -0.726 1.00 0.00 C ATOM 687 O ALA A 45 -6.070 1.119 0.410 1.00 0.00 O ATOM 688 CB ALA A 45 -6.609 2.562 -2.549 1.00 0.00 C ATOM 0 H ALA A 45 -6.005 0.501 -3.786 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.814 1.893 -1.610 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.826 3.313 -1.790 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.069 3.026 -3.375 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.543 2.139 -2.918 1.00 0.00 H new ATOM 694 N CYS A 46 -7.457 0.023 -0.980 1.00 0.00 N ATOM 695 CA CYS A 46 -8.210 -0.639 0.081 1.00 0.00 C ATOM 696 C CYS A 46 -7.277 -1.546 0.871 1.00 0.00 C ATOM 697 O CYS A 46 -7.447 -1.772 2.068 1.00 0.00 O ATOM 698 CB CYS A 46 -9.340 -1.465 -0.536 1.00 0.00 C ATOM 699 SG CYS A 46 -10.649 -1.976 0.627 1.00 0.00 S ATOM 0 H CYS A 46 -7.771 -0.211 -1.922 1.00 0.00 H new ATOM 0 HA CYS A 46 -8.637 0.108 0.750 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -9.795 -0.886 -1.340 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -8.910 -2.358 -0.990 1.00 0.00 H new ATOM 704 N ALA A 47 -6.282 -2.053 0.169 1.00 0.00 N ATOM 705 CA ALA A 47 -5.269 -2.903 0.750 1.00 0.00 C ATOM 706 C ALA A 47 -4.469 -2.157 1.803 1.00 0.00 C ATOM 707 O ALA A 47 -4.398 -2.577 2.959 1.00 0.00 O ATOM 708 CB ALA A 47 -4.348 -3.383 -0.339 1.00 0.00 C ATOM 0 H ALA A 47 -6.156 -1.883 -0.829 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.756 -3.751 1.232 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.580 -4.026 0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.920 -3.945 -1.077 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.876 -2.526 -0.821 1.00 0.00 H new ATOM 714 N TYR A 48 -3.865 -1.054 1.384 1.00 0.00 N ATOM 715 CA TYR A 48 -3.062 -0.232 2.274 1.00 0.00 C ATOM 716 C TYR A 48 -3.951 0.372 3.356 1.00 0.00 C ATOM 717 O TYR A 48 -3.527 0.554 4.493 1.00 0.00 O ATOM 718 CB TYR A 48 -2.342 0.868 1.484 1.00 0.00 C ATOM 719 CG TYR A 48 -0.855 0.942 1.766 1.00 0.00 C ATOM 720 CD1 TYR A 48 -0.384 0.918 3.072 1.00 0.00 C ATOM 721 CD2 TYR A 48 0.081 1.037 0.731 1.00 0.00 C ATOM 722 CE1 TYR A 48 0.965 0.981 3.348 1.00 0.00 C ATOM 723 CE2 TYR A 48 1.434 1.098 1.006 1.00 0.00 C ATOM 724 CZ TYR A 48 1.869 1.070 2.315 1.00 0.00 C ATOM 725 OH TYR A 48 3.213 1.141 2.596 1.00 0.00 O ATOM 0 H TYR A 48 -3.918 -0.707 0.426 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.304 -0.855 2.749 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.493 0.697 0.418 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.797 1.830 1.720 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.089 0.849 3.888 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.257 1.063 -0.294 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.311 0.961 4.371 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.148 1.167 0.199 1.00 0.00 H new ATOM 0 HH TYR A 48 3.346 1.117 3.567 1.00 0.00 H new ATOM 735 N ARG A 49 -5.196 0.647 2.982 1.00 0.00 N ATOM 736 CA ARG A 49 -6.214 1.118 3.914 1.00 0.00 C ATOM 737 C ARG A 49 -6.385 0.144 5.078 1.00 0.00 C ATOM 738 O ARG A 49 -6.369 0.544 6.240 1.00 0.00 O ATOM 739 CB ARG A 49 -7.543 1.292 3.169 1.00 0.00 C ATOM 740 CG ARG A 49 -8.759 1.513 4.061 1.00 0.00 C ATOM 741 CD ARG A 49 -10.041 1.465 3.244 1.00 0.00 C ATOM 742 NE ARG A 49 -11.241 1.543 4.079 1.00 0.00 N ATOM 743 CZ ARG A 49 -12.178 0.594 4.116 1.00 0.00 C ATOM 744 NH1 ARG A 49 -12.013 -0.533 3.433 1.00 0.00 N ATOM 745 NH2 ARG A 49 -13.276 0.762 4.848 1.00 0.00 N ATOM 0 H ARG A 49 -5.528 0.549 2.023 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.897 2.077 4.324 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.452 2.138 2.488 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.717 0.407 2.556 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.789 0.750 4.839 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.678 2.477 4.563 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.044 2.289 2.531 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.065 0.542 2.665 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.368 2.368 4.665 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.169 -0.674 2.879 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.731 -1.257 3.463 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.405 1.620 5.385 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.989 0.033 4.873 1.00 0.00 H new ATOM 759 N LYS A 50 -6.501 -1.144 4.775 1.00 0.00 N ATOM 760 CA LYS A 50 -6.776 -2.113 5.809 1.00 0.00 C ATOM 761 C LYS A 50 -5.489 -2.433 6.534 1.00 0.00 C ATOM 762 O LYS A 50 -5.498 -2.726 7.718 1.00 0.00 O ATOM 763 CB LYS A 50 -7.417 -3.384 5.239 1.00 0.00 C ATOM 764 CG LYS A 50 -8.157 -4.193 6.299 1.00 0.00 C ATOM 765 CD LYS A 50 -9.176 -5.145 5.691 1.00 0.00 C ATOM 766 CE LYS A 50 -9.998 -5.837 6.770 1.00 0.00 C ATOM 767 NZ LYS A 50 -11.112 -6.639 6.195 1.00 0.00 N ATOM 0 H LYS A 50 -6.409 -1.529 3.835 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.495 -1.688 6.510 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.112 -3.111 4.445 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.644 -4.005 4.787 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.437 -4.762 6.887 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.662 -3.513 6.985 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.838 -4.594 5.023 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.663 -5.893 5.086 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.350 -6.487 7.358 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.404 -5.089 7.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.646 -7.093 6.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.745 -6.016 5.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.724 -7.370 5.564 1.00 0.00 H new ATOM 781 N MET A 51 -4.378 -2.334 5.810 1.00 0.00 N ATOM 782 CA MET A 51 -3.060 -2.528 6.392 1.00 0.00 C ATOM 783 C MET A 51 -2.784 -1.445 7.430 1.00 0.00 C ATOM 784 O MET A 51 -2.247 -1.723 8.503 1.00 0.00 O ATOM 785 CB MET A 51 -1.983 -2.518 5.295 1.00 0.00 C ATOM 786 CG MET A 51 -0.576 -2.843 5.788 1.00 0.00 C ATOM 787 SD MET A 51 0.253 -1.445 6.566 1.00 0.00 S ATOM 788 CE MET A 51 1.791 -2.203 7.083 1.00 0.00 C ATOM 0 H MET A 51 -4.368 -2.119 4.813 1.00 0.00 H new ATOM 0 HA MET A 51 -3.031 -3.499 6.887 1.00 0.00 H new ATOM 0 HB2 MET A 51 -2.260 -3.238 4.525 1.00 0.00 H new ATOM 0 HB3 MET A 51 -1.971 -1.535 4.824 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.630 -3.666 6.501 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.024 -3.189 4.947 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.367 -1.491 7.674 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.577 -3.086 7.685 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.367 -2.494 6.204 1.00 0.00 H new ATOM 798 N CYS A 52 -3.178 -0.222 7.109 1.00 0.00 N ATOM 799 CA CYS A 52 -2.969 0.912 7.993 1.00 0.00 C ATOM 800 C CYS A 52 -3.993 0.902 9.127 1.00 0.00 C ATOM 801 O CYS A 52 -3.763 1.486 10.188 1.00 0.00 O ATOM 802 CB CYS A 52 -3.065 2.214 7.195 1.00 0.00 C ATOM 803 SG CYS A 52 -2.423 3.684 8.060 1.00 0.00 S ATOM 0 H CYS A 52 -3.648 0.010 6.234 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.974 0.840 8.433 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.519 2.092 6.259 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.109 2.389 6.935 1.00 0.00 H new ATOM 0 HG CYS A 52 -2.551 4.728 7.295 1.00 0.00 H new ATOM 808 N ALA A 53 -5.124 0.240 8.897 1.00 0.00 N ATOM 809 CA ALA A 53 -6.154 0.097 9.921 1.00 0.00 C ATOM 810 C ALA A 53 -5.845 -1.067 10.867 1.00 0.00 C ATOM 811 O ALA A 53 -5.480 -0.856 12.023 1.00 0.00 O ATOM 812 CB ALA A 53 -7.522 -0.094 9.276 1.00 0.00 C ATOM 0 H ALA A 53 -5.350 -0.207 8.008 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.166 1.013 10.511 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.279 -0.199 10.053 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.756 0.771 8.656 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.510 -0.991 8.657 1.00 0.00 H new ATOM 818 N THR A 54 -5.977 -2.293 10.370 1.00 0.00 N ATOM 819 CA THR A 54 -5.783 -3.481 11.199 1.00 0.00 C ATOM 820 C THR A 54 -4.892 -4.502 10.494 1.00 0.00 C ATOM 821 O THR A 54 -4.933 -5.696 10.804 1.00 0.00 O ATOM 822 CB THR A 54 -7.135 -4.147 11.545 1.00 0.00 C ATOM 823 OG1 THR A 54 -7.825 -4.524 10.341 1.00 0.00 O ATOM 824 CG2 THR A 54 -8.015 -3.209 12.364 1.00 0.00 C ATOM 0 H THR A 54 -6.217 -2.491 9.399 1.00 0.00 H new ATOM 0 HA THR A 54 -5.299 -3.154 12.119 1.00 0.00 H new ATOM 0 HB THR A 54 -6.928 -5.037 12.140 1.00 0.00 H new ATOM 0 HG1 THR A 54 -8.679 -4.946 10.572 1.00 0.00 H new ATOM 0 HG21 THR A 54 -8.959 -3.703 12.593 1.00 0.00 H new ATOM 0 HG22 THR A 54 -7.506 -2.951 13.293 1.00 0.00 H new ATOM 0 HG23 THR A 54 -8.210 -2.301 11.793 1.00 0.00 H new ATOM 832 N ASN A 55 -4.094 -4.014 9.543 1.00 0.00 N ATOM 833 CA ASN A 55 -3.241 -4.853 8.698 1.00 0.00 C ATOM 834 C ASN A 55 -4.089 -5.681 7.736 1.00 0.00 C ATOM 835 O ASN A 55 -5.295 -5.826 7.932 1.00 0.00 O ATOM 836 CB ASN A 55 -2.317 -5.760 9.532 1.00 0.00 C ATOM 837 CG ASN A 55 -1.422 -4.998 10.505 1.00 0.00 C ATOM 838 OD1 ASN A 55 -1.070 -5.509 11.570 1.00 0.00 O ATOM 839 ND2 ASN A 55 -1.051 -3.773 10.160 1.00 0.00 N ATOM 0 H ASN A 55 -4.021 -3.018 9.336 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.601 -4.189 8.117 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.928 -6.468 10.093 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.691 -6.344 8.857 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.457 -3.225 10.783 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.359 -3.378 9.271 1.00 0.00 H new ATOM 846 N ASN A 56 -3.448 -6.220 6.698 1.00 0.00 N ATOM 847 CA ASN A 56 -4.148 -6.874 5.596 1.00 0.00 C ATOM 848 C ASN A 56 -3.170 -7.103 4.459 1.00 0.00 C ATOM 849 O ASN A 56 -2.768 -8.233 4.184 1.00 0.00 O ATOM 850 CB ASN A 56 -5.311 -6.008 5.094 1.00 0.00 C ATOM 851 CG ASN A 56 -6.270 -6.760 4.193 1.00 0.00 C ATOM 852 OD1 ASN A 56 -6.378 -7.982 4.255 1.00 0.00 O ATOM 853 ND2 ASN A 56 -7.003 -6.023 3.369 1.00 0.00 N ATOM 0 H ASN A 56 -2.433 -6.215 6.599 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.551 -7.823 5.951 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.859 -5.616 5.950 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.910 -5.151 4.552 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.686 -6.469 2.757 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.883 -5.010 3.347 1.00 0.00 H new ATOM 860 N LEU A 57 -2.768 -5.995 3.828 1.00 0.00 N ATOM 861 CA LEU A 57 -1.809 -6.003 2.720 1.00 0.00 C ATOM 862 C LEU A 57 -0.563 -6.794 3.094 1.00 0.00 C ATOM 863 O LEU A 57 -0.001 -7.519 2.276 1.00 0.00 O ATOM 864 CB LEU A 57 -1.395 -4.559 2.396 1.00 0.00 C ATOM 865 CG LEU A 57 -1.452 -4.137 0.929 1.00 0.00 C ATOM 866 CD1 LEU A 57 -0.968 -2.705 0.774 1.00 0.00 C ATOM 867 CD2 LEU A 57 -0.622 -5.058 0.065 1.00 0.00 C ATOM 0 H LEU A 57 -3.101 -5.063 4.073 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.283 -6.468 1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.034 -3.886 2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.376 -4.410 2.753 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.489 -4.202 0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.014 -2.417 -0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.603 -2.041 1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.061 -2.628 1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.681 -4.734 -0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.416 -5.029 0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.002 -6.076 0.149 1.00 0.00 H new ATOM 879 N GLU A 58 -0.190 -6.693 4.360 1.00 0.00 N ATOM 880 CA GLU A 58 1.109 -7.151 4.823 1.00 0.00 C ATOM 881 C GLU A 58 1.256 -8.661 4.762 1.00 0.00 C ATOM 882 O GLU A 58 2.339 -9.175 4.970 1.00 0.00 O ATOM 883 CB GLU A 58 1.407 -6.631 6.242 1.00 0.00 C ATOM 884 CG GLU A 58 0.221 -6.625 7.205 1.00 0.00 C ATOM 885 CD GLU A 58 -0.429 -7.981 7.390 1.00 0.00 C ATOM 886 OE1 GLU A 58 0.052 -8.776 8.222 1.00 0.00 O ATOM 887 OE2 GLU A 58 -1.433 -8.247 6.710 1.00 0.00 O ATOM 0 H GLU A 58 -0.777 -6.293 5.092 1.00 0.00 H new ATOM 0 HA GLU A 58 1.846 -6.734 4.137 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.200 -7.241 6.674 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.794 -5.615 6.164 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.556 -6.259 8.175 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.527 -5.922 6.840 1.00 0.00 H new ATOM 894 N GLN A 59 0.190 -9.366 4.460 1.00 0.00 N ATOM 895 CA GLN A 59 0.259 -10.809 4.394 1.00 0.00 C ATOM 896 C GLN A 59 1.354 -11.259 3.388 1.00 0.00 C ATOM 897 O GLN A 59 2.444 -11.686 3.792 1.00 0.00 O ATOM 898 CB GLN A 59 -1.132 -11.354 4.075 1.00 0.00 C ATOM 899 CG GLN A 59 -1.263 -12.864 4.218 1.00 0.00 C ATOM 900 CD GLN A 59 -2.702 -13.333 4.081 1.00 0.00 C ATOM 901 OE1 GLN A 59 -3.501 -12.589 3.328 1.00 0.00 O flip ATOM 902 NE2 GLN A 59 -3.096 -14.347 4.655 1.00 0.00 N flip ATOM 0 H GLN A 59 -0.728 -8.969 4.258 1.00 0.00 H new ATOM 0 HA GLN A 59 0.560 -11.226 5.355 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.857 -10.875 4.733 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -1.394 -11.074 3.055 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.650 -13.353 3.461 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.874 -13.170 5.189 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -2.451 -14.893 5.226 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.068 -14.642 4.560 1.00 0.00 H new ATOM 911 N ALA A 60 1.136 -11.035 2.100 1.00 0.00 N ATOM 912 CA ALA A 60 2.110 -11.441 1.087 1.00 0.00 C ATOM 913 C ALA A 60 3.180 -10.394 0.919 1.00 0.00 C ATOM 914 O ALA A 60 4.361 -10.718 0.888 1.00 0.00 O ATOM 915 CB ALA A 60 1.447 -11.692 -0.252 1.00 0.00 C ATOM 0 H ALA A 60 0.302 -10.579 1.730 1.00 0.00 H new ATOM 0 HA ALA A 60 2.562 -12.369 1.435 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.200 -11.992 -0.981 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.707 -12.485 -0.148 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.956 -10.780 -0.592 1.00 0.00 H new ATOM 921 N MET A 61 2.761 -9.140 0.764 1.00 0.00 N ATOM 922 CA MET A 61 3.709 -8.044 0.642 1.00 0.00 C ATOM 923 C MET A 61 4.787 -8.116 1.727 1.00 0.00 C ATOM 924 O MET A 61 5.964 -8.000 1.412 1.00 0.00 O ATOM 925 CB MET A 61 3.007 -6.673 0.670 1.00 0.00 C ATOM 926 CG MET A 61 2.617 -6.191 2.056 1.00 0.00 C ATOM 927 SD MET A 61 2.020 -4.489 2.083 1.00 0.00 S ATOM 928 CE MET A 61 2.203 -4.078 3.815 1.00 0.00 C ATOM 0 H MET A 61 1.780 -8.863 0.721 1.00 0.00 H new ATOM 0 HA MET A 61 4.192 -8.151 -0.329 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.665 -5.933 0.214 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.110 -6.726 0.052 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.843 -6.846 2.455 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.479 -6.276 2.718 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.327 -3.000 3.922 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.315 -4.397 4.360 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.079 -4.586 4.219 1.00 0.00 H new ATOM 938 N SER A 62 4.408 -8.351 2.989 1.00 0.00 N ATOM 939 CA SER A 62 5.421 -8.383 4.052 1.00 0.00 C ATOM 940 C SER A 62 6.207 -9.694 4.015 1.00 0.00 C ATOM 941 O SER A 62 7.374 -9.724 4.397 1.00 0.00 O ATOM 942 CB SER A 62 4.818 -8.158 5.439 1.00 0.00 C ATOM 943 OG SER A 62 5.824 -8.052 6.435 1.00 0.00 O ATOM 0 H SER A 62 3.448 -8.516 3.292 1.00 0.00 H new ATOM 0 HA SER A 62 6.105 -7.556 3.861 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.215 -7.250 5.431 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.148 -8.983 5.684 1.00 0.00 H new ATOM 0 HG SER A 62 5.405 -7.907 7.309 1.00 0.00 H new ATOM 949 N VAL A 63 5.579 -10.787 3.569 1.00 0.00 N ATOM 950 CA VAL A 63 6.341 -12.009 3.303 1.00 0.00 C ATOM 951 C VAL A 63 7.391 -11.758 2.206 1.00 0.00 C ATOM 952 O VAL A 63 8.498 -12.297 2.250 1.00 0.00 O ATOM 953 CB VAL A 63 5.414 -13.183 2.901 1.00 0.00 C ATOM 954 CG1 VAL A 63 6.204 -14.330 2.291 1.00 0.00 C ATOM 955 CG2 VAL A 63 4.638 -13.675 4.109 1.00 0.00 C ATOM 0 H VAL A 63 4.577 -10.851 3.389 1.00 0.00 H new ATOM 0 HA VAL A 63 6.850 -12.288 4.225 1.00 0.00 H new ATOM 0 HB VAL A 63 4.716 -12.814 2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.523 -15.137 2.020 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.724 -13.980 1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.931 -14.697 3.015 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.990 -14.500 3.814 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.335 -14.017 4.875 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.031 -12.862 4.508 1.00 0.00 H new ATOM 965 N TYR A 64 7.036 -10.917 1.241 1.00 0.00 N ATOM 966 CA TYR A 64 7.917 -10.596 0.115 1.00 0.00 C ATOM 967 C TYR A 64 9.024 -9.608 0.494 1.00 0.00 C ATOM 968 O TYR A 64 10.201 -9.967 0.502 1.00 0.00 O ATOM 969 CB TYR A 64 7.098 -10.034 -1.052 1.00 0.00 C ATOM 970 CG TYR A 64 6.889 -11.023 -2.176 1.00 0.00 C ATOM 971 CD1 TYR A 64 6.234 -12.229 -1.959 1.00 0.00 C ATOM 972 CD2 TYR A 64 7.354 -10.749 -3.457 1.00 0.00 C ATOM 973 CE1 TYR A 64 6.049 -13.132 -2.987 1.00 0.00 C ATOM 974 CE2 TYR A 64 7.172 -11.649 -4.489 1.00 0.00 C ATOM 975 CZ TYR A 64 6.519 -12.837 -4.250 1.00 0.00 C ATOM 976 OH TYR A 64 6.339 -13.735 -5.274 1.00 0.00 O ATOM 0 H TYR A 64 6.135 -10.439 1.213 1.00 0.00 H new ATOM 0 HA TYR A 64 8.401 -11.526 -0.183 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.126 -9.709 -0.680 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.601 -9.150 -1.445 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.864 -12.464 -0.972 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.866 -9.817 -3.648 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.538 -14.066 -2.803 1.00 0.00 H new ATOM 0 HE2 TYR A 64 7.540 -11.422 -5.479 1.00 0.00 H new ATOM 0 HH TYR A 64 6.728 -13.374 -6.098 1.00 0.00 H new ATOM 986 N PHE A 65 8.654 -8.366 0.792 1.00 0.00 N ATOM 987 CA PHE A 65 9.644 -7.328 1.071 1.00 0.00 C ATOM 988 C PHE A 65 10.065 -7.368 2.536 1.00 0.00 C ATOM 989 O PHE A 65 9.468 -8.077 3.343 1.00 0.00 O ATOM 990 CB PHE A 65 9.097 -5.931 0.694 1.00 0.00 C ATOM 991 CG PHE A 65 7.806 -5.544 1.358 1.00 0.00 C ATOM 992 CD1 PHE A 65 7.652 -5.611 2.734 1.00 0.00 C ATOM 993 CD2 PHE A 65 6.748 -5.096 0.596 1.00 0.00 C ATOM 994 CE1 PHE A 65 6.468 -5.242 3.329 1.00 0.00 C ATOM 995 CE2 PHE A 65 5.564 -4.727 1.187 1.00 0.00 C ATOM 996 CZ PHE A 65 5.422 -4.802 2.555 1.00 0.00 C ATOM 0 H PHE A 65 7.684 -8.054 0.847 1.00 0.00 H new ATOM 0 HA PHE A 65 10.524 -7.522 0.458 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.852 -5.185 0.942 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.956 -5.894 -0.386 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.472 -5.957 3.346 1.00 0.00 H new ATOM 0 HD2 PHE A 65 6.851 -5.034 -0.477 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.361 -5.298 4.402 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.743 -4.378 0.578 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.490 -4.515 3.018 1.00 0.00 H new ATOM 1006 N THR A 66 11.088 -6.605 2.875 1.00 0.00 N ATOM 1007 CA THR A 66 11.527 -6.502 4.252 1.00 0.00 C ATOM 1008 C THR A 66 10.835 -5.340 4.956 1.00 0.00 C ATOM 1009 O THR A 66 10.228 -4.487 4.301 1.00 0.00 O ATOM 1010 CB THR A 66 13.051 -6.320 4.336 1.00 0.00 C ATOM 1011 OG1 THR A 66 13.486 -5.404 3.318 1.00 0.00 O ATOM 1012 CG2 THR A 66 13.770 -7.653 4.175 1.00 0.00 C ATOM 0 H THR A 66 11.630 -6.048 2.214 1.00 0.00 H new ATOM 0 HA THR A 66 11.257 -7.433 4.751 1.00 0.00 H new ATOM 0 HB THR A 66 13.296 -5.917 5.319 1.00 0.00 H new ATOM 0 HG1 THR A 66 14.458 -5.289 3.375 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.847 -7.496 4.238 1.00 0.00 H new ATOM 0 HG22 THR A 66 13.456 -8.334 4.966 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.523 -8.085 3.205 1.00 0.00 H new ATOM 1020 N ASN A 67 10.928 -5.299 6.275 1.00 0.00 N ATOM 1021 CA ASN A 67 10.309 -4.229 7.048 1.00 0.00 C ATOM 1022 C ASN A 67 10.925 -2.881 6.671 1.00 0.00 C ATOM 1023 O ASN A 67 10.240 -1.857 6.604 1.00 0.00 O ATOM 1024 CB ASN A 67 10.477 -4.507 8.545 1.00 0.00 C ATOM 1025 CG ASN A 67 9.753 -3.506 9.428 1.00 0.00 C ATOM 1026 OD1 ASN A 67 8.745 -2.917 9.035 1.00 0.00 O ATOM 1027 ND2 ASN A 67 10.247 -3.330 10.642 1.00 0.00 N ATOM 0 H ASN A 67 11.425 -5.992 6.834 1.00 0.00 H new ATOM 0 HA ASN A 67 9.244 -4.190 6.820 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.107 -5.509 8.765 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.539 -4.498 8.792 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.791 -2.688 11.290 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.084 -3.836 10.930 1.00 0.00 H new ATOM 1034 N GLU A 68 12.218 -2.891 6.391 1.00 0.00 N ATOM 1035 CA GLU A 68 12.912 -1.692 5.958 1.00 0.00 C ATOM 1036 C GLU A 68 12.472 -1.310 4.547 1.00 0.00 C ATOM 1037 O GLU A 68 12.333 -0.129 4.218 1.00 0.00 O ATOM 1038 CB GLU A 68 14.430 -1.898 6.010 1.00 0.00 C ATOM 1039 CG GLU A 68 14.888 -3.241 5.461 1.00 0.00 C ATOM 1040 CD GLU A 68 14.974 -4.317 6.525 1.00 0.00 C ATOM 1041 OE1 GLU A 68 13.919 -4.759 7.014 1.00 0.00 O ATOM 1042 OE2 GLU A 68 16.097 -4.740 6.861 1.00 0.00 O ATOM 0 H GLU A 68 12.809 -3.720 6.457 1.00 0.00 H new ATOM 0 HA GLU A 68 12.655 -0.878 6.636 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.915 -1.101 5.446 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.764 -1.806 7.043 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.198 -3.563 4.681 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.865 -3.122 4.993 1.00 0.00 H new ATOM 1049 N GLN A 69 12.227 -2.324 3.728 1.00 0.00 N ATOM 1050 CA GLN A 69 11.764 -2.119 2.365 1.00 0.00 C ATOM 1051 C GLN A 69 10.442 -1.372 2.367 1.00 0.00 C ATOM 1052 O GLN A 69 10.254 -0.422 1.612 1.00 0.00 O ATOM 1053 CB GLN A 69 11.577 -3.462 1.661 1.00 0.00 C ATOM 1054 CG GLN A 69 12.226 -3.541 0.292 1.00 0.00 C ATOM 1055 CD GLN A 69 11.501 -2.707 -0.744 1.00 0.00 C ATOM 1056 OE1 GLN A 69 10.190 -2.581 -0.599 1.00 0.00 O flip ATOM 1057 NE2 GLN A 69 12.106 -2.193 -1.678 1.00 0.00 N flip ATOM 0 H GLN A 69 12.343 -3.303 3.988 1.00 0.00 H new ATOM 0 HA GLN A 69 12.514 -1.532 1.834 1.00 0.00 H new ATOM 0 HB2 GLN A 69 11.988 -4.251 2.292 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.510 -3.660 1.557 1.00 0.00 H new ATOM 0 HG2 GLN A 69 13.261 -3.205 0.364 1.00 0.00 H new ATOM 0 HG3 GLN A 69 12.250 -4.580 -0.035 1.00 0.00 H new ATOM 0 HE21 GLN A 69 13.116 -2.311 -1.758 1.00 0.00 H new ATOM 0 HE22 GLN A 69 11.599 -1.647 -2.375 1.00 0.00 H new ATOM 1066 N ILE A 70 9.524 -1.810 3.216 1.00 0.00 N ATOM 1067 CA ILE A 70 8.209 -1.204 3.270 1.00 0.00 C ATOM 1068 C ILE A 70 8.239 0.115 4.043 1.00 0.00 C ATOM 1069 O ILE A 70 7.320 0.920 3.942 1.00 0.00 O ATOM 1070 CB ILE A 70 7.147 -2.180 3.829 1.00 0.00 C ATOM 1071 CG1 ILE A 70 5.753 -1.555 3.797 1.00 0.00 C ATOM 1072 CG2 ILE A 70 7.484 -2.647 5.234 1.00 0.00 C ATOM 1073 CD1 ILE A 70 5.368 -1.049 2.429 1.00 0.00 C ATOM 0 H ILE A 70 9.667 -2.578 3.872 1.00 0.00 H new ATOM 0 HA ILE A 70 7.912 -0.974 2.247 1.00 0.00 H new ATOM 0 HB ILE A 70 7.152 -3.056 3.180 1.00 0.00 H new ATOM 0 HG12 ILE A 70 5.022 -2.294 4.125 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.714 -0.730 4.508 1.00 0.00 H new ATOM 0 HG21 ILE A 70 6.711 -3.330 5.586 1.00 0.00 H new ATOM 0 HG22 ILE A 70 8.446 -3.160 5.226 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.538 -1.786 5.900 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.368 -0.616 2.469 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.080 -0.288 2.109 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.377 -1.876 1.719 1.00 0.00 H new ATOM 1085 N LYS A 71 9.302 0.343 4.803 1.00 0.00 N ATOM 1086 CA LYS A 71 9.580 1.680 5.312 1.00 0.00 C ATOM 1087 C LYS A 71 9.690 2.637 4.124 1.00 0.00 C ATOM 1088 O LYS A 71 9.011 3.678 4.063 1.00 0.00 O ATOM 1089 CB LYS A 71 10.884 1.680 6.116 1.00 0.00 C ATOM 1090 CG LYS A 71 11.275 3.037 6.675 1.00 0.00 C ATOM 1091 CD LYS A 71 10.419 3.433 7.864 1.00 0.00 C ATOM 1092 CE LYS A 71 10.646 2.511 9.052 1.00 0.00 C ATOM 1093 NZ LYS A 71 12.079 2.459 9.449 1.00 0.00 N ATOM 0 H LYS A 71 9.978 -0.370 5.078 1.00 0.00 H new ATOM 0 HA LYS A 71 8.775 2.001 5.973 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.788 0.974 6.941 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.690 1.317 5.478 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.323 3.017 6.974 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.181 3.791 5.894 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.647 4.459 8.151 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.367 3.408 7.580 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.048 2.853 9.896 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.302 1.507 8.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.151 2.434 10.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.519 1.605 9.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.570 3.302 9.088 1.00 0.00 H new ATOM 1107 N GLU A 72 10.520 2.242 3.162 1.00 0.00 N ATOM 1108 CA GLU A 72 10.691 3.004 1.935 1.00 0.00 C ATOM 1109 C GLU A 72 9.373 3.155 1.178 1.00 0.00 C ATOM 1110 O GLU A 72 9.000 4.268 0.816 1.00 0.00 O ATOM 1111 CB GLU A 72 11.749 2.367 1.033 1.00 0.00 C ATOM 1112 CG GLU A 72 13.171 2.838 1.312 1.00 0.00 C ATOM 1113 CD GLU A 72 13.674 2.465 2.691 1.00 0.00 C ATOM 1114 OE1 GLU A 72 13.290 3.132 3.675 1.00 0.00 O ATOM 1115 OE2 GLU A 72 14.480 1.520 2.797 1.00 0.00 O ATOM 0 H GLU A 72 11.085 1.395 3.212 1.00 0.00 H new ATOM 0 HA GLU A 72 11.032 3.999 2.221 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.707 1.284 1.151 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.503 2.584 -0.006 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.839 2.412 0.563 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.215 3.921 1.199 1.00 0.00 H new ATOM 1122 N ILE A 73 8.663 2.047 0.937 1.00 0.00 N ATOM 1123 CA ILE A 73 7.381 2.122 0.235 1.00 0.00 C ATOM 1124 C ILE A 73 6.320 2.817 1.079 1.00 0.00 C ATOM 1125 O ILE A 73 5.271 3.165 0.564 1.00 0.00 O ATOM 1126 CB ILE A 73 6.799 0.754 -0.222 1.00 0.00 C ATOM 1127 CG1 ILE A 73 7.823 -0.362 -0.146 1.00 0.00 C ATOM 1128 CG2 ILE A 73 6.280 0.871 -1.644 1.00 0.00 C ATOM 1129 CD1 ILE A 73 7.265 -1.736 -0.438 1.00 0.00 C ATOM 0 H ILE A 73 8.948 1.107 1.212 1.00 0.00 H new ATOM 0 HA ILE A 73 7.617 2.697 -0.661 1.00 0.00 H new ATOM 0 HB ILE A 73 5.986 0.500 0.459 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.627 -0.151 -0.852 1.00 0.00 H new ATOM 0 HG13 ILE A 73 8.266 -0.366 0.850 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.873 -0.088 -1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.498 1.629 -1.685 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.097 1.157 -2.307 1.00 0.00 H new ATOM 0 HD11 ILE A 73 8.062 -2.476 -0.363 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.482 -1.971 0.283 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.848 -1.753 -1.445 1.00 0.00 H new ATOM 1141 N HIS A 74 6.569 3.026 2.367 1.00 0.00 N ATOM 1142 CA HIS A 74 5.589 3.723 3.182 1.00 0.00 C ATOM 1143 C HIS A 74 5.674 5.221 2.942 1.00 0.00 C ATOM 1144 O HIS A 74 4.653 5.862 2.723 1.00 0.00 O ATOM 1145 CB HIS A 74 5.717 3.412 4.673 1.00 0.00 C ATOM 1146 CG HIS A 74 4.505 3.844 5.443 1.00 0.00 C ATOM 1147 ND1 HIS A 74 4.560 4.430 6.685 1.00 0.00 N ATOM 1148 CD2 HIS A 74 3.190 3.773 5.124 1.00 0.00 C ATOM 1149 CE1 HIS A 74 3.338 4.706 7.096 1.00 0.00 C ATOM 1150 NE2 HIS A 74 2.484 4.317 6.168 1.00 0.00 N ATOM 0 H HIS A 74 7.415 2.732 2.855 1.00 0.00 H new ATOM 0 HA HIS A 74 4.609 3.359 2.873 1.00 0.00 H new ATOM 0 HB2 HIS A 74 5.870 2.341 4.808 1.00 0.00 H new ATOM 0 HB3 HIS A 74 6.598 3.913 5.073 1.00 0.00 H new ATOM 0 HD2 HIS A 74 2.774 3.364 4.215 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.079 5.172 8.035 1.00 0.00 H new ATOM 0 HE2 HIS A 74 1.469 4.406 6.218 1.00 0.00 H new ATOM 1159 N ASP A 75 6.882 5.792 2.964 1.00 0.00 N ATOM 1160 CA ASP A 75 7.026 7.184 2.578 1.00 0.00 C ATOM 1161 C ASP A 75 6.713 7.292 1.096 1.00 0.00 C ATOM 1162 O ASP A 75 6.173 8.279 0.624 1.00 0.00 O ATOM 1163 CB ASP A 75 8.438 7.694 2.872 1.00 0.00 C ATOM 1164 CG ASP A 75 8.570 9.196 2.677 1.00 0.00 C ATOM 1165 OD1 ASP A 75 8.709 9.648 1.528 1.00 0.00 O ATOM 1166 OD2 ASP A 75 8.561 9.930 3.688 1.00 0.00 O ATOM 0 H ASP A 75 7.746 5.323 3.237 1.00 0.00 H new ATOM 0 HA ASP A 75 6.338 7.802 3.155 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.706 7.440 3.897 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.148 7.183 2.221 1.00 0.00 H new ATOM 1171 N ALA A 76 7.015 6.225 0.383 1.00 0.00 N ATOM 1172 CA ALA A 76 6.717 6.133 -1.029 1.00 0.00 C ATOM 1173 C ALA A 76 5.226 6.202 -1.297 1.00 0.00 C ATOM 1174 O ALA A 76 4.779 6.949 -2.144 1.00 0.00 O ATOM 1175 CB ALA A 76 7.265 4.842 -1.586 1.00 0.00 C ATOM 0 H ALA A 76 7.473 5.399 0.768 1.00 0.00 H new ATOM 0 HA ALA A 76 7.189 6.984 -1.520 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.037 4.779 -2.650 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.345 4.814 -1.444 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.809 3.999 -1.067 1.00 0.00 H new ATOM 1181 N ALA A 77 4.456 5.417 -0.582 1.00 0.00 N ATOM 1182 CA ALA A 77 3.036 5.317 -0.857 1.00 0.00 C ATOM 1183 C ALA A 77 2.232 6.381 -0.112 1.00 0.00 C ATOM 1184 O ALA A 77 1.062 6.603 -0.410 1.00 0.00 O ATOM 1185 CB ALA A 77 2.549 3.916 -0.541 1.00 0.00 C ATOM 0 H ALA A 77 4.783 4.839 0.192 1.00 0.00 H new ATOM 0 HA ALA A 77 2.878 5.507 -1.919 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.481 3.846 -0.749 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.087 3.196 -1.158 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.728 3.697 0.512 1.00 0.00 H new ATOM 1191 N THR A 78 2.859 7.049 0.845 1.00 0.00 N ATOM 1192 CA THR A 78 2.210 8.152 1.547 1.00 0.00 C ATOM 1193 C THR A 78 2.607 9.487 0.913 1.00 0.00 C ATOM 1194 O THR A 78 1.761 10.329 0.612 1.00 0.00 O ATOM 1195 CB THR A 78 2.565 8.157 3.052 1.00 0.00 C ATOM 1196 OG1 THR A 78 2.097 6.950 3.677 1.00 0.00 O ATOM 1197 CG2 THR A 78 1.956 9.359 3.762 1.00 0.00 C ATOM 0 H THR A 78 3.811 6.850 1.154 1.00 0.00 H new ATOM 0 HA THR A 78 1.133 8.014 1.457 1.00 0.00 H new ATOM 0 HB THR A 78 3.650 8.218 3.134 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.218 7.110 4.079 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.225 9.332 4.818 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.336 10.277 3.314 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.871 9.329 3.663 1.00 0.00 H new ATOM 1205 N ALA A 79 3.904 9.657 0.689 1.00 0.00 N ATOM 1206 CA ALA A 79 4.447 10.886 0.127 1.00 0.00 C ATOM 1207 C ALA A 79 4.591 10.783 -1.381 1.00 0.00 C ATOM 1208 O ALA A 79 5.008 11.739 -2.039 1.00 0.00 O ATOM 1209 CB ALA A 79 5.798 11.202 0.740 1.00 0.00 C ATOM 0 H ALA A 79 4.608 8.947 0.892 1.00 0.00 H new ATOM 0 HA ALA A 79 3.747 11.689 0.359 1.00 0.00 H new ATOM 0 HB1 ALA A 79 6.187 12.124 0.307 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.689 11.325 1.818 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.490 10.385 0.536 1.00 0.00 H new ATOM 1215 N CYS A 80 4.265 9.601 -1.915 1.00 0.00 N ATOM 1216 CA CYS A 80 4.435 9.298 -3.333 1.00 0.00 C ATOM 1217 C CYS A 80 5.895 9.493 -3.712 1.00 0.00 C ATOM 1218 O CYS A 80 6.223 10.066 -4.749 1.00 0.00 O ATOM 1219 CB CYS A 80 3.473 10.100 -4.233 1.00 0.00 C ATOM 1220 SG CYS A 80 2.487 11.396 -3.395 1.00 0.00 S ATOM 0 H CYS A 80 3.876 8.830 -1.373 1.00 0.00 H new ATOM 0 HA CYS A 80 4.167 8.255 -3.502 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.055 10.569 -5.026 1.00 0.00 H new ATOM 0 HB3 CYS A 80 2.787 9.401 -4.712 1.00 0.00 H new ATOM 1225 N ASP A 81 6.761 8.970 -2.843 1.00 0.00 N ATOM 1226 CA ASP A 81 8.196 9.220 -2.911 1.00 0.00 C ATOM 1227 C ASP A 81 8.994 7.977 -2.518 1.00 0.00 C ATOM 1228 O ASP A 81 9.423 7.835 -1.376 1.00 0.00 O ATOM 1229 CB ASP A 81 8.529 10.353 -1.950 1.00 0.00 C ATOM 1230 CG ASP A 81 9.809 11.067 -2.318 1.00 0.00 C ATOM 1231 OD1 ASP A 81 10.020 11.324 -3.527 1.00 0.00 O ATOM 1232 OD2 ASP A 81 10.599 11.396 -1.414 1.00 0.00 O ATOM 0 H ASP A 81 6.484 8.361 -2.073 1.00 0.00 H new ATOM 0 HA ASP A 81 8.462 9.483 -3.935 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.707 11.069 -1.939 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.617 9.954 -0.940 1.00 0.00 H new