USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 401 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 20 ASN : amide:sc= 0.727 K(o=1.6,f=-2.8!) USER MOD Set 1.2: A 21 THR OG1 : rot -73:sc= 0.872 USER MOD Single : A 1 ARG N :NH3+ 168:sc= 0.753 (180deg=0.483) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -120:sc= -0.049 USER MOD Single : A 14 THR OG1 : rot -24:sc= 0.193 USER MOD Single : A 15 LYS NZ :NH3+ -162:sc= -0.234 (180deg=-0.712) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -146:sc= -0.78 (180deg=-1.33) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -141:sc= 0.848 USER MOD Single : A 30 HIS : no HE2:sc= 0.133 K(o=0.13,f=-3.1!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -51:sc= 0.801 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot -16:sc= 1.24 USER MOD Single : A 49 GLN : amide:sc= -0.497 K(o=-0.5,f=0.15) USER MOD Single : A 50 THR OG1 : rot 180:sc=-0.00434 USER MOD Single : A 54 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0382) USER MOD Single : A 59 ASN : amide:sc= 1.34 K(o=1.3,f=-8.7!) USER MOD Single : A 60 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0899) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 11.819 4.222 0.416 1.00 0.00 N ATOM 2 CA ARG A 1 12.737 3.088 0.615 1.00 0.00 C ATOM 3 C ARG A 1 11.975 1.797 0.332 1.00 0.00 C ATOM 4 O ARG A 1 11.312 1.698 -0.699 1.00 0.00 O ATOM 5 CB ARG A 1 13.542 3.198 1.931 1.00 0.00 C ATOM 6 CG ARG A 1 12.886 3.814 3.171 1.00 0.00 C ATOM 7 CD ARG A 1 11.723 3.009 3.758 1.00 0.00 C ATOM 8 NE ARG A 1 10.432 3.382 3.169 1.00 0.00 N ATOM 9 CZ ARG A 1 9.820 4.545 3.442 1.00 0.00 C ATOM 10 NH1 ARG A 1 10.389 5.457 4.237 1.00 0.00 N ATOM 11 NH2 ARG A 1 8.629 4.828 2.923 1.00 0.00 N ATOM 0 H1 ARG A 1 12.251 5.089 0.795 1.00 0.00 H new ATOM 0 H2 ARG A 1 11.633 4.344 -0.600 1.00 0.00 H new ATOM 0 H3 ARG A 1 10.924 4.035 0.912 1.00 0.00 H new ATOM 0 HA ARG A 1 13.555 3.095 -0.105 1.00 0.00 H new ATOM 0 HB2 ARG A 1 13.867 2.193 2.199 1.00 0.00 H new ATOM 0 HB3 ARG A 1 14.440 3.777 1.716 1.00 0.00 H new ATOM 0 HG2 ARG A 1 13.647 3.938 3.942 1.00 0.00 H new ATOM 0 HG3 ARG A 1 12.525 4.810 2.915 1.00 0.00 H new ATOM 0 HD2 ARG A 1 11.901 1.946 3.594 1.00 0.00 H new ATOM 0 HD3 ARG A 1 11.686 3.163 4.836 1.00 0.00 H new ATOM 0 HE ARG A 1 9.981 2.731 2.526 1.00 0.00 H new ATOM 0 HH11 ARG A 1 11.305 5.275 4.648 1.00 0.00 H new ATOM 0 HH12 ARG A 1 9.908 6.335 4.432 1.00 0.00 H new ATOM 0 HH21 ARG A 1 8.168 4.157 2.308 1.00 0.00 H new ATOM 0 HH22 ARG A 1 8.176 5.716 3.140 1.00 0.00 H new ATOM 27 N ILE A 2 12.005 0.847 1.247 1.00 0.00 N ATOM 28 CA ILE A 2 11.395 -0.462 1.058 1.00 0.00 C ATOM 29 C ILE A 2 9.887 -0.313 1.230 1.00 0.00 C ATOM 30 O ILE A 2 9.437 0.204 2.251 1.00 0.00 O ATOM 31 CB ILE A 2 11.950 -1.434 2.121 1.00 0.00 C ATOM 32 CG1 ILE A 2 13.443 -1.731 1.902 1.00 0.00 C ATOM 33 CG2 ILE A 2 11.153 -2.748 2.147 1.00 0.00 C ATOM 34 CD1 ILE A 2 13.692 -2.728 0.769 1.00 0.00 C ATOM 0 H ILE A 2 12.458 0.960 2.154 1.00 0.00 H new ATOM 0 HA ILE A 2 11.619 -0.853 0.066 1.00 0.00 H new ATOM 0 HB ILE A 2 11.840 -0.938 3.086 1.00 0.00 H new ATOM 0 HG12 ILE A 2 13.965 -0.800 1.681 1.00 0.00 H new ATOM 0 HG13 ILE A 2 13.869 -2.124 2.825 1.00 0.00 H new ATOM 0 HG21 ILE A 2 11.569 -3.411 2.906 1.00 0.00 H new ATOM 0 HG22 ILE A 2 10.110 -2.536 2.382 1.00 0.00 H new ATOM 0 HG23 ILE A 2 11.214 -3.230 1.171 1.00 0.00 H new ATOM 0 HD11 ILE A 2 14.763 -2.897 0.662 1.00 0.00 H new ATOM 0 HD12 ILE A 2 13.197 -3.671 0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 2 13.294 -2.327 -0.163 1.00 0.00 H new ATOM 46 N CYS A 3 9.117 -0.762 0.234 1.00 0.00 N ATOM 47 CA CYS A 3 7.663 -0.707 0.237 1.00 0.00 C ATOM 48 C CYS A 3 7.114 -1.951 -0.440 1.00 0.00 C ATOM 49 O CYS A 3 7.751 -2.510 -1.333 1.00 0.00 O ATOM 50 CB CYS A 3 7.154 0.514 -0.538 1.00 0.00 C ATOM 51 SG CYS A 3 7.667 2.117 0.109 1.00 0.00 S ATOM 0 H CYS A 3 9.502 -1.182 -0.612 1.00 0.00 H new ATOM 0 HA CYS A 3 7.331 -0.641 1.273 1.00 0.00 H new ATOM 0 HB2 CYS A 3 7.493 0.434 -1.571 1.00 0.00 H new ATOM 0 HB3 CYS A 3 6.065 0.482 -0.557 1.00 0.00 H new ATOM 56 N TYR A 4 5.930 -2.389 -0.015 1.00 0.00 N ATOM 57 CA TYR A 4 5.234 -3.494 -0.638 1.00 0.00 C ATOM 58 C TYR A 4 4.387 -2.926 -1.775 1.00 0.00 C ATOM 59 O TYR A 4 4.194 -1.710 -1.861 1.00 0.00 O ATOM 60 CB TYR A 4 4.376 -4.213 0.403 1.00 0.00 C ATOM 61 CG TYR A 4 5.092 -5.037 1.462 1.00 0.00 C ATOM 62 CD1 TYR A 4 6.494 -5.200 1.471 1.00 0.00 C ATOM 63 CD2 TYR A 4 4.313 -5.724 2.410 1.00 0.00 C ATOM 64 CE1 TYR A 4 7.101 -6.053 2.408 1.00 0.00 C ATOM 65 CE2 TYR A 4 4.925 -6.542 3.374 1.00 0.00 C ATOM 66 CZ TYR A 4 6.318 -6.706 3.374 1.00 0.00 C ATOM 67 OH TYR A 4 6.915 -7.441 4.355 1.00 0.00 O ATOM 0 H TYR A 4 5.431 -1.980 0.775 1.00 0.00 H new ATOM 0 HA TYR A 4 5.933 -4.226 -1.042 1.00 0.00 H new ATOM 0 HB2 TYR A 4 3.770 -3.464 0.913 1.00 0.00 H new ATOM 0 HB3 TYR A 4 3.688 -4.872 -0.127 1.00 0.00 H new ATOM 0 HD1 TYR A 4 7.102 -4.667 0.755 1.00 0.00 H new ATOM 0 HD2 TYR A 4 3.238 -5.622 2.397 1.00 0.00 H new ATOM 0 HE1 TYR A 4 8.170 -6.207 2.385 1.00 0.00 H new ATOM 0 HE2 TYR A 4 4.322 -7.045 4.116 1.00 0.00 H new ATOM 0 HH TYR A 4 6.229 -7.824 4.940 1.00 0.00 H new ATOM 77 N SER A 5 3.917 -3.780 -2.683 1.00 0.00 N ATOM 78 CA SER A 5 3.096 -3.349 -3.811 1.00 0.00 C ATOM 79 C SER A 5 2.028 -4.387 -4.182 1.00 0.00 C ATOM 80 O SER A 5 0.980 -4.033 -4.716 1.00 0.00 O ATOM 81 CB SER A 5 4.021 -3.017 -4.985 1.00 0.00 C ATOM 82 OG SER A 5 4.918 -1.985 -4.608 1.00 0.00 O ATOM 0 H SER A 5 4.094 -4.784 -2.657 1.00 0.00 H new ATOM 0 HA SER A 5 2.539 -2.455 -3.531 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.578 -3.905 -5.285 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.432 -2.704 -5.847 1.00 0.00 H new ATOM 0 HG SER A 5 4.795 -1.213 -5.199 1.00 0.00 H new ATOM 215 N THR A 14 7.202 -6.351 -4.204 1.00 0.00 N ATOM 216 CA THR A 14 7.770 -5.540 -3.154 1.00 0.00 C ATOM 217 C THR A 14 8.968 -4.849 -3.813 1.00 0.00 C ATOM 218 O THR A 14 9.529 -5.415 -4.754 1.00 0.00 O ATOM 219 CB THR A 14 8.164 -6.455 -1.979 1.00 0.00 C ATOM 220 OG1 THR A 14 8.991 -7.505 -2.440 1.00 0.00 O ATOM 221 CG2 THR A 14 6.951 -7.119 -1.312 1.00 0.00 C ATOM 0 HA THR A 14 7.090 -4.796 -2.737 1.00 0.00 H new ATOM 0 HB THR A 14 8.672 -5.815 -1.258 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.830 -7.653 -3.395 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.288 -7.752 -0.491 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.282 -6.350 -0.926 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.420 -7.727 -2.045 1.00 0.00 H new ATOM 229 N LYS A 15 9.336 -3.629 -3.407 1.00 0.00 N ATOM 230 CA LYS A 15 10.435 -2.924 -4.059 1.00 0.00 C ATOM 231 C LYS A 15 11.092 -1.886 -3.150 1.00 0.00 C ATOM 232 O LYS A 15 10.513 -1.451 -2.155 1.00 0.00 O ATOM 233 CB LYS A 15 9.923 -2.270 -5.354 1.00 0.00 C ATOM 234 CG LYS A 15 8.696 -1.367 -5.133 1.00 0.00 C ATOM 235 CD LYS A 15 8.273 -0.627 -6.412 1.00 0.00 C ATOM 236 CE LYS A 15 7.266 -1.395 -7.281 1.00 0.00 C ATOM 237 NZ LYS A 15 7.795 -2.675 -7.780 1.00 0.00 N ATOM 0 H LYS A 15 8.895 -3.119 -2.642 1.00 0.00 H new ATOM 0 HA LYS A 15 11.208 -3.656 -4.294 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.725 -1.680 -5.797 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.668 -3.050 -6.071 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.863 -1.972 -4.775 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.920 -0.639 -4.353 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.839 0.334 -6.135 1.00 0.00 H new ATOM 0 HD3 LYS A 15 9.162 -0.416 -7.007 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.363 -1.583 -6.700 1.00 0.00 H new ATOM 0 HE3 LYS A 15 6.977 -0.773 -8.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.219 -2.999 -8.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.780 -2.547 -8.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.760 -3.385 -7.021 1.00 0.00 H new ATOM 251 N THR A 16 12.314 -1.497 -3.528 1.00 0.00 N ATOM 252 CA THR A 16 13.128 -0.491 -2.864 1.00 0.00 C ATOM 253 C THR A 16 13.014 0.795 -3.682 1.00 0.00 C ATOM 254 O THR A 16 13.810 1.025 -4.589 1.00 0.00 O ATOM 255 CB THR A 16 14.583 -0.982 -2.772 1.00 0.00 C ATOM 256 OG1 THR A 16 14.614 -2.278 -2.213 1.00 0.00 O ATOM 257 CG2 THR A 16 15.423 -0.063 -1.880 1.00 0.00 C ATOM 0 H THR A 16 12.778 -1.897 -4.343 1.00 0.00 H new ATOM 0 HA THR A 16 12.787 -0.306 -1.845 1.00 0.00 H new ATOM 0 HB THR A 16 14.995 -0.983 -3.781 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.542 -2.588 -2.158 1.00 0.00 H new ATOM 0 HG21 THR A 16 16.446 -0.436 -1.835 1.00 0.00 H new ATOM 0 HG22 THR A 16 15.422 0.945 -2.294 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.999 -0.044 -0.876 1.00 0.00 H new ATOM 265 N CYS A 17 12.006 1.617 -3.392 1.00 0.00 N ATOM 266 CA CYS A 17 11.780 2.869 -4.103 1.00 0.00 C ATOM 267 C CYS A 17 12.457 4.025 -3.357 1.00 0.00 C ATOM 268 O CYS A 17 12.659 3.974 -2.147 1.00 0.00 O ATOM 269 CB CYS A 17 10.284 3.158 -4.206 1.00 0.00 C ATOM 270 SG CYS A 17 9.395 2.835 -5.735 1.00 0.00 S ATOM 0 H CYS A 17 11.324 1.431 -2.657 1.00 0.00 H new ATOM 0 HA CYS A 17 12.203 2.776 -5.103 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.791 2.586 -3.420 1.00 0.00 H new ATOM 0 HB3 CYS A 17 10.143 4.212 -3.969 1.00 0.00 H new ATOM 275 N VAL A 18 12.736 5.107 -4.080 1.00 0.00 N ATOM 276 CA VAL A 18 13.401 6.314 -3.596 1.00 0.00 C ATOM 277 C VAL A 18 12.648 7.110 -2.518 1.00 0.00 C ATOM 278 O VAL A 18 13.267 7.810 -1.722 1.00 0.00 O ATOM 279 CB VAL A 18 13.617 7.255 -4.794 1.00 0.00 C ATOM 280 CG1 VAL A 18 14.859 6.848 -5.595 1.00 0.00 C ATOM 281 CG2 VAL A 18 12.412 7.388 -5.740 1.00 0.00 C ATOM 0 H VAL A 18 12.492 5.169 -5.069 1.00 0.00 H new ATOM 0 HA VAL A 18 14.322 5.967 -3.128 1.00 0.00 H new ATOM 0 HB VAL A 18 13.759 8.239 -4.347 1.00 0.00 H new ATOM 0 HG11 VAL A 18 14.989 7.529 -6.436 1.00 0.00 H new ATOM 0 HG12 VAL A 18 15.738 6.894 -4.952 1.00 0.00 H new ATOM 0 HG13 VAL A 18 14.735 5.831 -5.967 1.00 0.00 H new ATOM 0 HG21 VAL A 18 12.661 8.071 -6.552 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.163 6.410 -6.152 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.557 7.777 -5.187 1.00 0.00 H new ATOM 291 N GLU A 19 11.319 7.058 -2.540 1.00 0.00 N ATOM 292 CA GLU A 19 10.407 7.834 -1.734 1.00 0.00 C ATOM 293 C GLU A 19 10.692 7.740 -0.235 1.00 0.00 C ATOM 294 O GLU A 19 11.334 6.809 0.260 1.00 0.00 O ATOM 295 CB GLU A 19 8.962 7.335 -1.952 1.00 0.00 C ATOM 296 CG GLU A 19 8.714 6.184 -2.922 1.00 0.00 C ATOM 297 CD GLU A 19 8.855 4.868 -2.153 1.00 0.00 C ATOM 298 OE1 GLU A 19 9.928 4.659 -1.543 1.00 0.00 O ATOM 299 OE2 GLU A 19 7.876 4.100 -2.171 1.00 0.00 O ATOM 0 H GLU A 19 10.825 6.425 -3.169 1.00 0.00 H new ATOM 0 HA GLU A 19 10.539 8.869 -2.049 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.567 7.037 -0.981 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.369 8.184 -2.291 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.719 6.264 -3.359 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.427 6.221 -3.745 1.00 0.00 H new ATOM 306 N ASN A 20 10.082 8.682 0.483 1.00 0.00 N ATOM 307 CA ASN A 20 10.043 8.700 1.932 1.00 0.00 C ATOM 308 C ASN A 20 8.788 7.959 2.407 1.00 0.00 C ATOM 309 O ASN A 20 8.721 7.562 3.569 1.00 0.00 O ATOM 310 CB ASN A 20 10.027 10.147 2.442 1.00 0.00 C ATOM 311 CG ASN A 20 8.643 10.784 2.312 1.00 0.00 C ATOM 312 OD1 ASN A 20 7.974 10.636 1.290 1.00 0.00 O ATOM 313 ND2 ASN A 20 8.177 11.453 3.362 1.00 0.00 N ATOM 0 H ASN A 20 9.592 9.469 0.057 1.00 0.00 H new ATOM 0 HA ASN A 20 10.930 8.205 2.327 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.339 10.167 3.486 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.752 10.737 1.882 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.242 11.860 3.334 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.754 11.560 4.196 1.00 0.00 H new ATOM 320 N THR A 21 7.799 7.754 1.525 1.00 0.00 N ATOM 321 CA THR A 21 6.516 7.161 1.852 1.00 0.00 C ATOM 322 C THR A 21 6.163 5.961 0.970 1.00 0.00 C ATOM 323 O THR A 21 6.549 5.868 -0.196 1.00 0.00 O ATOM 324 CB THR A 21 5.428 8.231 1.674 1.00 0.00 C ATOM 325 OG1 THR A 21 5.723 9.056 0.559 1.00 0.00 O ATOM 326 CG2 THR A 21 5.290 9.103 2.922 1.00 0.00 C ATOM 0 H THR A 21 7.883 8.007 0.540 1.00 0.00 H new ATOM 0 HA THR A 21 6.577 6.801 2.879 1.00 0.00 H new ATOM 0 HB THR A 21 4.485 7.711 1.507 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.465 9.656 0.783 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.512 9.849 2.761 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.023 8.478 3.775 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.237 9.604 3.122 1.00 0.00 H new ATOM 334 N CYS A 22 5.392 5.053 1.562 1.00 0.00 N ATOM 335 CA CYS A 22 4.759 3.927 0.915 1.00 0.00 C ATOM 336 C CYS A 22 3.268 4.148 1.124 1.00 0.00 C ATOM 337 O CYS A 22 2.876 4.821 2.081 1.00 0.00 O ATOM 338 CB CYS A 22 5.082 2.581 1.574 1.00 0.00 C ATOM 339 SG CYS A 22 6.782 2.144 1.973 1.00 0.00 S ATOM 0 H CYS A 22 5.186 5.093 2.560 1.00 0.00 H new ATOM 0 HA CYS A 22 5.097 3.879 -0.120 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.511 2.531 2.501 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.694 1.801 0.919 1.00 0.00 H new ATOM 344 N TYR A 23 2.440 3.574 0.259 1.00 0.00 N ATOM 345 CA TYR A 23 1.002 3.580 0.446 1.00 0.00 C ATOM 346 C TYR A 23 0.455 2.170 0.527 1.00 0.00 C ATOM 347 O TYR A 23 1.069 1.200 0.069 1.00 0.00 O ATOM 348 CB TYR A 23 0.288 4.337 -0.661 1.00 0.00 C ATOM 349 CG TYR A 23 0.321 3.682 -2.031 1.00 0.00 C ATOM 350 CD1 TYR A 23 1.330 4.014 -2.952 1.00 0.00 C ATOM 351 CD2 TYR A 23 -0.752 2.868 -2.441 1.00 0.00 C ATOM 352 CE1 TYR A 23 1.179 3.679 -4.308 1.00 0.00 C ATOM 353 CE2 TYR A 23 -0.868 2.475 -3.784 1.00 0.00 C ATOM 354 CZ TYR A 23 0.075 2.918 -4.726 1.00 0.00 C ATOM 355 OH TYR A 23 -0.025 2.536 -6.030 1.00 0.00 O ATOM 0 H TYR A 23 2.749 3.095 -0.587 1.00 0.00 H new ATOM 0 HA TYR A 23 0.814 4.093 1.389 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.753 4.475 -0.369 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.731 5.330 -0.742 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.220 4.526 -2.617 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -1.488 2.545 -1.720 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.913 4.007 -5.030 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -1.680 1.834 -4.092 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.845 2.015 -6.156 1.00 0.00 H new ATOM 365 N LYS A 24 -0.739 2.119 1.108 1.00 0.00 N ATOM 366 CA LYS A 24 -1.557 0.938 1.282 1.00 0.00 C ATOM 367 C LYS A 24 -2.966 1.317 0.824 1.00 0.00 C ATOM 368 O LYS A 24 -3.474 2.373 1.211 1.00 0.00 O ATOM 369 CB LYS A 24 -1.521 0.452 2.737 1.00 0.00 C ATOM 370 CG LYS A 24 -1.524 1.586 3.770 1.00 0.00 C ATOM 371 CD LYS A 24 -2.009 1.148 5.162 1.00 0.00 C ATOM 372 CE LYS A 24 -1.156 0.075 5.852 1.00 0.00 C ATOM 373 NZ LYS A 24 -1.382 -1.264 5.283 1.00 0.00 N ATOM 0 H LYS A 24 -1.182 2.954 1.491 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.185 0.102 0.690 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.382 -0.192 2.916 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.630 -0.158 2.884 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.516 1.991 3.856 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.162 2.393 3.409 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.048 2.026 5.807 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.029 0.774 5.071 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.102 0.335 5.758 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.386 0.059 6.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.299 -1.979 6.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.334 -1.308 4.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.673 -1.452 4.546 1.00 0.00 H new ATOM 387 N MET A 25 -3.562 0.485 -0.034 1.00 0.00 N ATOM 388 CA MET A 25 -4.864 0.723 -0.643 1.00 0.00 C ATOM 389 C MET A 25 -5.862 -0.385 -0.288 1.00 0.00 C ATOM 390 O MET A 25 -5.526 -1.572 -0.274 1.00 0.00 O ATOM 391 CB MET A 25 -4.681 0.863 -2.153 1.00 0.00 C ATOM 392 CG MET A 25 -5.987 1.225 -2.870 1.00 0.00 C ATOM 393 SD MET A 25 -5.822 1.863 -4.558 1.00 0.00 S ATOM 394 CE MET A 25 -5.174 0.404 -5.399 1.00 0.00 C ATOM 0 H MET A 25 -3.138 -0.394 -0.329 1.00 0.00 H new ATOM 0 HA MET A 25 -5.286 1.648 -0.249 1.00 0.00 H new ATOM 0 HB2 MET A 25 -3.934 1.630 -2.356 1.00 0.00 H new ATOM 0 HB3 MET A 25 -4.295 -0.073 -2.558 1.00 0.00 H new ATOM 0 HG2 MET A 25 -6.619 0.338 -2.899 1.00 0.00 H new ATOM 0 HG3 MET A 25 -6.511 1.970 -2.272 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.017 0.632 -6.453 1.00 0.00 H new ATOM 0 HE2 MET A 25 -4.227 0.113 -4.945 1.00 0.00 H new ATOM 0 HE3 MET A 25 -5.887 -0.415 -5.307 1.00 0.00 H new ATOM 404 N PHE A 26 -7.111 0.000 -0.022 1.00 0.00 N ATOM 405 CA PHE A 26 -8.180 -0.915 0.335 1.00 0.00 C ATOM 406 C PHE A 26 -9.493 -0.458 -0.285 1.00 0.00 C ATOM 407 O PHE A 26 -9.705 0.732 -0.519 1.00 0.00 O ATOM 408 CB PHE A 26 -8.313 -1.006 1.860 1.00 0.00 C ATOM 409 CG PHE A 26 -8.162 0.304 2.607 1.00 0.00 C ATOM 410 CD1 PHE A 26 -9.246 1.191 2.736 1.00 0.00 C ATOM 411 CD2 PHE A 26 -6.944 0.594 3.249 1.00 0.00 C ATOM 412 CE1 PHE A 26 -9.134 2.323 3.563 1.00 0.00 C ATOM 413 CE2 PHE A 26 -6.828 1.735 4.056 1.00 0.00 C ATOM 414 CZ PHE A 26 -7.916 2.609 4.203 1.00 0.00 C ATOM 0 H PHE A 26 -7.407 0.976 -0.051 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.938 -1.905 -0.053 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.289 -1.429 2.098 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -7.563 -1.705 2.232 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -10.164 1.003 2.200 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.097 -0.063 3.120 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -9.985 2.973 3.706 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.899 1.942 4.566 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.818 3.499 4.806 1.00 0.00 H new ATOM 424 N ILE A 27 -10.376 -1.409 -0.588 1.00 0.00 N ATOM 425 CA ILE A 27 -11.708 -1.062 -1.057 1.00 0.00 C ATOM 426 C ILE A 27 -12.388 -0.374 0.126 1.00 0.00 C ATOM 427 O ILE A 27 -12.349 -0.894 1.237 1.00 0.00 O ATOM 428 CB ILE A 27 -12.453 -2.316 -1.541 1.00 0.00 C ATOM 429 CG1 ILE A 27 -11.744 -2.821 -2.810 1.00 0.00 C ATOM 430 CG2 ILE A 27 -13.928 -2.000 -1.836 1.00 0.00 C ATOM 431 CD1 ILE A 27 -12.385 -4.086 -3.378 1.00 0.00 C ATOM 0 H ILE A 27 -10.193 -2.410 -0.517 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.693 -0.395 -1.919 1.00 0.00 H new ATOM 0 HB ILE A 27 -12.437 -3.082 -0.766 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -11.762 -2.038 -3.568 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -10.697 -3.020 -2.582 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -14.433 -2.904 -2.177 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -14.410 -1.635 -0.929 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -13.988 -1.236 -2.612 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.845 -4.398 -4.272 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.343 -4.881 -2.633 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.425 -3.883 -3.635 1.00 0.00 H new ATOM 443 N ARG A 28 -13.004 0.786 -0.093 1.00 0.00 N ATOM 444 CA ARG A 28 -13.628 1.568 0.973 1.00 0.00 C ATOM 445 C ARG A 28 -14.604 0.706 1.776 1.00 0.00 C ATOM 446 O ARG A 28 -14.609 0.709 3.005 1.00 0.00 O ATOM 447 CB ARG A 28 -14.332 2.787 0.362 1.00 0.00 C ATOM 448 CG ARG A 28 -14.918 3.714 1.444 1.00 0.00 C ATOM 449 CD ARG A 28 -16.414 4.001 1.253 1.00 0.00 C ATOM 450 NE ARG A 28 -17.198 2.768 1.096 1.00 0.00 N ATOM 451 CZ ARG A 28 -18.517 2.723 0.866 1.00 0.00 C ATOM 452 NH1 ARG A 28 -19.255 3.835 0.933 1.00 0.00 N ATOM 453 NH2 ARG A 28 -19.078 1.557 0.537 1.00 0.00 N ATOM 0 H ARG A 28 -13.085 1.211 -1.017 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.860 1.916 1.664 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -13.624 3.346 -0.250 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -15.130 2.451 -0.300 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -14.764 3.260 2.423 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -14.371 4.657 1.440 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -16.788 4.561 2.110 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -16.552 4.632 0.375 1.00 0.00 H new ATOM 0 HE ARG A 28 -16.701 1.880 1.167 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -18.815 4.726 1.161 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -20.259 3.792 0.757 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -18.504 0.717 0.464 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -20.081 1.506 0.359 1.00 0.00 H new ATOM 467 N THR A 29 -15.442 -0.042 1.065 1.00 0.00 N ATOM 468 CA THR A 29 -16.438 -0.937 1.632 1.00 0.00 C ATOM 469 C THR A 29 -15.797 -2.040 2.489 1.00 0.00 C ATOM 470 O THR A 29 -16.481 -2.663 3.299 1.00 0.00 O ATOM 471 CB THR A 29 -17.238 -1.534 0.464 1.00 0.00 C ATOM 472 OG1 THR A 29 -17.459 -0.516 -0.498 1.00 0.00 O ATOM 473 CG2 THR A 29 -18.594 -2.085 0.915 1.00 0.00 C ATOM 0 H THR A 29 -15.444 -0.040 0.045 1.00 0.00 H new ATOM 0 HA THR A 29 -17.095 -0.382 2.302 1.00 0.00 H new ATOM 0 HB THR A 29 -16.662 -2.360 0.048 1.00 0.00 H new ATOM 0 HG1 THR A 29 -18.362 -0.605 -0.867 1.00 0.00 H new ATOM 0 HG21 THR A 29 -19.124 -2.496 0.056 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.440 -2.869 1.656 1.00 0.00 H new ATOM 0 HG23 THR A 29 -19.185 -1.282 1.355 1.00 0.00 H new ATOM 481 N HIS A 30 -14.506 -2.328 2.292 1.00 0.00 N ATOM 482 CA HIS A 30 -13.757 -3.342 3.020 1.00 0.00 C ATOM 483 C HIS A 30 -12.462 -2.703 3.522 1.00 0.00 C ATOM 484 O HIS A 30 -11.368 -3.194 3.262 1.00 0.00 O ATOM 485 CB HIS A 30 -13.479 -4.542 2.099 1.00 0.00 C ATOM 486 CG HIS A 30 -14.700 -5.154 1.454 1.00 0.00 C ATOM 487 ND1 HIS A 30 -15.976 -5.052 1.990 1.00 0.00 N ATOM 488 CD2 HIS A 30 -14.856 -5.877 0.295 1.00 0.00 C ATOM 489 CE1 HIS A 30 -16.815 -5.689 1.158 1.00 0.00 C ATOM 490 NE2 HIS A 30 -16.193 -6.209 0.099 1.00 0.00 N ATOM 0 H HIS A 30 -13.940 -1.842 1.596 1.00 0.00 H new ATOM 0 HA HIS A 30 -14.325 -3.712 3.873 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -12.793 -4.225 1.313 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -12.968 -5.312 2.677 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -16.230 -4.579 2.858 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -14.051 -6.150 -0.372 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -17.878 -5.771 1.328 1.00 0.00 H new ATOM 498 N ARG A 31 -12.586 -1.592 4.251 1.00 0.00 N ATOM 499 CA ARG A 31 -11.447 -0.856 4.770 1.00 0.00 C ATOM 500 C ARG A 31 -10.511 -1.746 5.588 1.00 0.00 C ATOM 501 O ARG A 31 -9.292 -1.662 5.448 1.00 0.00 O ATOM 502 CB ARG A 31 -11.960 0.356 5.555 1.00 0.00 C ATOM 503 CG ARG A 31 -12.944 0.001 6.686 1.00 0.00 C ATOM 504 CD ARG A 31 -13.920 1.152 6.950 1.00 0.00 C ATOM 505 NE ARG A 31 -14.769 1.374 5.772 1.00 0.00 N ATOM 506 CZ ARG A 31 -15.864 2.138 5.706 1.00 0.00 C ATOM 507 NH1 ARG A 31 -16.309 2.795 6.781 1.00 0.00 N ATOM 508 NH2 ARG A 31 -16.496 2.225 4.533 1.00 0.00 N ATOM 0 H ARG A 31 -13.487 -1.181 4.495 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.837 -0.498 3.941 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -11.109 0.886 5.982 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -12.449 1.042 4.864 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -13.500 -0.898 6.419 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -12.390 -0.226 7.597 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -14.540 0.922 7.817 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -13.367 2.061 7.186 1.00 0.00 H new ATOM 0 HE ARG A 31 -14.494 0.895 4.914 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -15.812 2.718 7.668 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -17.146 3.374 6.714 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -16.140 1.717 3.723 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -17.335 2.799 4.447 1.00 0.00 H new ATOM 522 N GLU A 32 -11.066 -2.649 6.399 1.00 0.00 N ATOM 523 CA GLU A 32 -10.286 -3.567 7.226 1.00 0.00 C ATOM 524 C GLU A 32 -9.766 -4.750 6.386 1.00 0.00 C ATOM 525 O GLU A 32 -9.863 -5.905 6.794 1.00 0.00 O ATOM 526 CB GLU A 32 -11.162 -4.013 8.410 1.00 0.00 C ATOM 527 CG GLU A 32 -10.330 -4.566 9.576 1.00 0.00 C ATOM 528 CD GLU A 32 -11.218 -4.916 10.766 1.00 0.00 C ATOM 529 OE1 GLU A 32 -11.613 -3.965 11.474 1.00 0.00 O ATOM 530 OE2 GLU A 32 -11.494 -6.123 10.939 1.00 0.00 O ATOM 0 H GLU A 32 -12.075 -2.763 6.500 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.400 -3.070 7.621 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.755 -3.168 8.759 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.863 -4.777 8.073 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.786 -5.453 9.251 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.586 -3.829 9.878 1.00 0.00 H new ATOM 537 N TYR A 33 -9.224 -4.466 5.200 1.00 0.00 N ATOM 538 CA TYR A 33 -8.659 -5.432 4.276 1.00 0.00 C ATOM 539 C TYR A 33 -7.742 -4.674 3.318 1.00 0.00 C ATOM 540 O TYR A 33 -8.210 -4.021 2.384 1.00 0.00 O ATOM 541 CB TYR A 33 -9.779 -6.170 3.531 1.00 0.00 C ATOM 542 CG TYR A 33 -9.289 -7.057 2.403 1.00 0.00 C ATOM 543 CD1 TYR A 33 -8.539 -8.213 2.686 1.00 0.00 C ATOM 544 CD2 TYR A 33 -9.539 -6.696 1.066 1.00 0.00 C ATOM 545 CE1 TYR A 33 -8.046 -9.007 1.636 1.00 0.00 C ATOM 546 CE2 TYR A 33 -9.036 -7.484 0.017 1.00 0.00 C ATOM 547 CZ TYR A 33 -8.297 -8.642 0.302 1.00 0.00 C ATOM 548 OH TYR A 33 -7.838 -9.417 -0.721 1.00 0.00 O ATOM 0 H TYR A 33 -9.168 -3.510 4.848 1.00 0.00 H new ATOM 0 HA TYR A 33 -8.082 -6.190 4.806 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -10.335 -6.779 4.243 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -10.477 -5.437 3.126 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -8.342 -8.491 3.711 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -10.119 -5.812 0.846 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -7.475 -9.897 1.854 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -9.218 -7.198 -1.008 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.102 -9.019 -1.577 1.00 0.00 H new ATOM 558 N ILE A 34 -6.426 -4.801 3.502 1.00 0.00 N ATOM 559 CA ILE A 34 -5.468 -4.090 2.670 1.00 0.00 C ATOM 560 C ILE A 34 -5.433 -4.877 1.367 1.00 0.00 C ATOM 561 O ILE A 34 -4.888 -5.979 1.290 1.00 0.00 O ATOM 562 CB ILE A 34 -4.093 -4.009 3.354 1.00 0.00 C ATOM 563 CG1 ILE A 34 -4.181 -3.514 4.811 1.00 0.00 C ATOM 564 CG2 ILE A 34 -3.185 -3.088 2.527 1.00 0.00 C ATOM 565 CD1 ILE A 34 -4.887 -2.164 4.995 1.00 0.00 C ATOM 0 H ILE A 34 -6.005 -5.390 4.220 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.750 -3.052 2.495 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.676 -5.015 3.398 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.705 -4.265 5.403 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.171 -3.437 5.215 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.206 -3.021 3.001 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.075 -3.494 1.521 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.629 -2.094 2.471 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.899 -1.901 6.053 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.354 -1.395 4.436 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.911 -2.236 4.627 1.00 0.00 H new ATOM 577 N SER A 35 -6.079 -4.306 0.352 1.00 0.00 N ATOM 578 CA SER A 35 -6.316 -4.958 -0.915 1.00 0.00 C ATOM 579 C SER A 35 -5.055 -4.898 -1.768 1.00 0.00 C ATOM 580 O SER A 35 -4.565 -5.942 -2.189 1.00 0.00 O ATOM 581 CB SER A 35 -7.511 -4.276 -1.594 1.00 0.00 C ATOM 582 OG SER A 35 -8.615 -4.162 -0.703 1.00 0.00 O ATOM 0 H SER A 35 -6.456 -3.359 0.398 1.00 0.00 H new ATOM 0 HA SER A 35 -6.556 -6.012 -0.774 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.218 -3.286 -1.942 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.808 -4.848 -2.473 1.00 0.00 H new ATOM 0 HG SER A 35 -8.799 -5.035 -0.297 1.00 0.00 H new ATOM 588 N GLU A 36 -4.519 -3.692 -1.984 1.00 0.00 N ATOM 589 CA GLU A 36 -3.325 -3.427 -2.779 1.00 0.00 C ATOM 590 C GLU A 36 -2.390 -2.516 -1.986 1.00 0.00 C ATOM 591 O GLU A 36 -2.755 -2.034 -0.917 1.00 0.00 O ATOM 592 CB GLU A 36 -3.725 -2.771 -4.113 1.00 0.00 C ATOM 593 CG GLU A 36 -4.126 -3.792 -5.185 1.00 0.00 C ATOM 594 CD GLU A 36 -5.459 -4.485 -4.916 1.00 0.00 C ATOM 595 OE1 GLU A 36 -6.435 -3.758 -4.620 1.00 0.00 O ATOM 596 OE2 GLU A 36 -5.492 -5.728 -5.033 1.00 0.00 O ATOM 0 H GLU A 36 -4.925 -2.842 -1.592 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.807 -4.361 -2.998 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.556 -2.087 -3.941 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.892 -2.173 -4.482 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.179 -3.288 -6.150 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.345 -4.548 -5.262 1.00 0.00 H new ATOM 603 N ARG A 37 -1.194 -2.267 -2.518 1.00 0.00 N ATOM 604 CA ARG A 37 -0.180 -1.421 -1.903 1.00 0.00 C ATOM 605 C ARG A 37 0.634 -0.732 -2.987 1.00 0.00 C ATOM 606 O ARG A 37 0.437 -0.998 -4.172 1.00 0.00 O ATOM 607 CB ARG A 37 0.763 -2.295 -1.065 1.00 0.00 C ATOM 608 CG ARG A 37 0.276 -2.530 0.361 1.00 0.00 C ATOM 609 CD ARG A 37 0.518 -3.977 0.792 1.00 0.00 C ATOM 610 NE ARG A 37 -0.382 -4.880 0.063 1.00 0.00 N ATOM 611 CZ ARG A 37 -1.427 -5.499 0.622 1.00 0.00 C ATOM 612 NH1 ARG A 37 -1.458 -5.813 1.923 1.00 0.00 N ATOM 613 NH2 ARG A 37 -2.478 -5.781 -0.145 1.00 0.00 N ATOM 0 H ARG A 37 -0.899 -2.660 -3.412 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.665 -0.675 -1.273 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.888 -3.258 -1.560 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.746 -1.825 -1.031 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.792 -1.853 1.042 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.787 -2.300 0.428 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.555 -4.253 0.601 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.354 -4.077 1.865 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.199 -5.044 -0.927 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.667 -5.580 2.523 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.273 -6.285 2.314 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.472 -5.525 -1.132 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.289 -6.253 0.255 1.00 0.00 H new ATOM 627 N GLY A 38 1.561 0.138 -2.582 1.00 0.00 N ATOM 628 CA GLY A 38 2.488 0.713 -3.542 1.00 0.00 C ATOM 629 C GLY A 38 3.503 1.681 -2.945 1.00 0.00 C ATOM 630 O GLY A 38 3.517 1.954 -1.746 1.00 0.00 O ATOM 0 H GLY A 38 1.684 0.450 -1.619 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.025 -0.096 -4.037 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.917 1.234 -4.311 1.00 0.00 H new ATOM 634 N CYS A 39 4.356 2.188 -3.835 1.00 0.00 N ATOM 635 CA CYS A 39 5.474 3.092 -3.613 1.00 0.00 C ATOM 636 C CYS A 39 5.064 4.564 -3.779 1.00 0.00 C ATOM 637 O CYS A 39 4.430 4.882 -4.780 1.00 0.00 O ATOM 638 CB CYS A 39 6.538 2.668 -4.630 1.00 0.00 C ATOM 639 SG CYS A 39 7.634 3.905 -5.367 1.00 0.00 S ATOM 0 H CYS A 39 4.269 1.950 -4.823 1.00 0.00 H new ATOM 0 HA CYS A 39 5.850 3.026 -2.592 1.00 0.00 H new ATOM 0 HB2 CYS A 39 7.170 1.923 -4.146 1.00 0.00 H new ATOM 0 HB3 CYS A 39 6.022 2.165 -5.448 1.00 0.00 H new ATOM 644 N GLY A 40 5.412 5.457 -2.833 1.00 0.00 N ATOM 645 CA GLY A 40 5.092 6.881 -2.878 1.00 0.00 C ATOM 646 C GLY A 40 3.607 7.207 -2.771 1.00 0.00 C ATOM 647 O GLY A 40 2.793 6.911 -3.639 1.00 0.00 O ATOM 0 H GLY A 40 5.936 5.193 -1.999 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.619 7.383 -2.067 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.474 7.295 -3.811 1.00 0.00 H new ATOM 651 N CYS A 41 3.303 7.883 -1.676 1.00 0.00 N ATOM 652 CA CYS A 41 1.988 8.357 -1.249 1.00 0.00 C ATOM 653 C CYS A 41 1.158 9.026 -2.368 1.00 0.00 C ATOM 654 O CYS A 41 1.498 10.133 -2.783 1.00 0.00 O ATOM 655 CB CYS A 41 2.176 9.367 -0.115 1.00 0.00 C ATOM 656 SG CYS A 41 0.610 9.969 0.545 1.00 0.00 S ATOM 0 H CYS A 41 4.027 8.138 -1.004 1.00 0.00 H new ATOM 0 HA CYS A 41 1.431 7.475 -0.933 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.750 8.904 0.688 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.761 10.212 -0.479 1.00 0.00 H new ATOM 661 N PRO A 42 0.069 8.393 -2.846 1.00 0.00 N ATOM 662 CA PRO A 42 -0.816 8.892 -3.882 1.00 0.00 C ATOM 663 C PRO A 42 -2.166 9.262 -3.253 1.00 0.00 C ATOM 664 O PRO A 42 -2.254 9.645 -2.086 1.00 0.00 O ATOM 665 CB PRO A 42 -0.917 7.688 -4.825 1.00 0.00 C ATOM 666 CG PRO A 42 -1.131 6.560 -3.815 1.00 0.00 C ATOM 667 CD PRO A 42 -0.266 6.998 -2.625 1.00 0.00 C ATOM 0 HA PRO A 42 -0.476 9.791 -4.397 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.746 7.779 -5.526 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.013 7.548 -5.417 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.180 6.460 -3.537 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.813 5.596 -4.212 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.807 6.873 -1.687 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.636 6.389 -2.557 1.00 0.00 H new ATOM 675 N THR A 43 -3.239 9.132 -4.028 1.00 0.00 N ATOM 676 CA THR A 43 -4.622 9.304 -3.610 1.00 0.00 C ATOM 677 C THR A 43 -5.452 8.422 -4.550 1.00 0.00 C ATOM 678 O THR A 43 -4.954 8.028 -5.605 1.00 0.00 O ATOM 679 CB THR A 43 -5.022 10.788 -3.671 1.00 0.00 C ATOM 680 OG1 THR A 43 -4.033 11.582 -3.044 1.00 0.00 O ATOM 681 CG2 THR A 43 -6.350 11.067 -2.960 1.00 0.00 C ATOM 0 H THR A 43 -3.160 8.891 -5.016 1.00 0.00 H new ATOM 0 HA THR A 43 -4.786 9.005 -2.575 1.00 0.00 H new ATOM 0 HB THR A 43 -5.125 11.035 -4.728 1.00 0.00 H new ATOM 0 HG1 THR A 43 -4.294 12.525 -3.088 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.586 12.129 -3.033 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.143 10.486 -3.430 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.267 10.785 -1.910 1.00 0.00 H new ATOM 689 N ALA A 44 -6.683 8.079 -4.165 1.00 0.00 N ATOM 690 CA ALA A 44 -7.589 7.251 -4.949 1.00 0.00 C ATOM 691 C ALA A 44 -9.019 7.674 -4.630 1.00 0.00 C ATOM 692 O ALA A 44 -9.232 8.417 -3.671 1.00 0.00 O ATOM 693 CB ALA A 44 -7.376 5.772 -4.614 1.00 0.00 C ATOM 0 H ALA A 44 -7.083 8.379 -3.276 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.395 7.383 -6.013 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.059 5.163 -5.206 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.348 5.491 -4.843 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.569 5.608 -3.554 1.00 0.00 H new ATOM 699 N MET A 45 -9.976 7.214 -5.439 1.00 0.00 N ATOM 700 CA MET A 45 -11.387 7.509 -5.324 1.00 0.00 C ATOM 701 C MET A 45 -12.181 6.207 -5.205 1.00 0.00 C ATOM 702 O MET A 45 -11.670 5.123 -5.499 1.00 0.00 O ATOM 703 CB MET A 45 -11.803 8.281 -6.581 1.00 0.00 C ATOM 704 CG MET A 45 -11.254 9.714 -6.589 1.00 0.00 C ATOM 705 SD MET A 45 -11.836 10.805 -5.262 1.00 0.00 S ATOM 706 CE MET A 45 -13.535 11.100 -5.801 1.00 0.00 C ATOM 0 H MET A 45 -9.768 6.598 -6.225 1.00 0.00 H new ATOM 0 HA MET A 45 -11.588 8.106 -4.434 1.00 0.00 H new ATOM 0 HB2 MET A 45 -11.446 7.752 -7.465 1.00 0.00 H new ATOM 0 HB3 MET A 45 -12.891 8.310 -6.644 1.00 0.00 H new ATOM 0 HG2 MET A 45 -10.166 9.664 -6.538 1.00 0.00 H new ATOM 0 HG3 MET A 45 -11.508 10.172 -7.545 1.00 0.00 H new ATOM 0 HE1 MET A 45 -14.034 11.757 -5.088 1.00 0.00 H new ATOM 0 HE2 MET A 45 -13.528 11.570 -6.785 1.00 0.00 H new ATOM 0 HE3 MET A 45 -14.069 10.151 -5.856 1.00 0.00 H new ATOM 716 N TRP A 46 -13.447 6.336 -4.795 1.00 0.00 N ATOM 717 CA TRP A 46 -14.358 5.219 -4.629 1.00 0.00 C ATOM 718 C TRP A 46 -14.394 4.408 -5.939 1.00 0.00 C ATOM 719 O TRP A 46 -14.371 5.014 -7.010 1.00 0.00 O ATOM 720 CB TRP A 46 -15.736 5.777 -4.255 1.00 0.00 C ATOM 721 CG TRP A 46 -16.645 4.843 -3.529 1.00 0.00 C ATOM 722 CD1 TRP A 46 -16.351 4.132 -2.419 1.00 0.00 C ATOM 723 CD2 TRP A 46 -18.022 4.525 -3.846 1.00 0.00 C ATOM 724 NE1 TRP A 46 -17.418 3.319 -2.091 1.00 0.00 N ATOM 725 CE2 TRP A 46 -18.492 3.543 -2.930 1.00 0.00 C ATOM 726 CE3 TRP A 46 -18.917 4.989 -4.825 1.00 0.00 C ATOM 727 CZ2 TRP A 46 -19.792 3.022 -3.000 1.00 0.00 C ATOM 728 CZ3 TRP A 46 -20.226 4.478 -4.907 1.00 0.00 C ATOM 729 CH2 TRP A 46 -20.662 3.493 -4.000 1.00 0.00 C ATOM 0 H TRP A 46 -13.866 7.238 -4.568 1.00 0.00 H new ATOM 0 HA TRP A 46 -14.033 4.548 -3.834 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -15.592 6.664 -3.639 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -16.235 6.101 -5.168 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -15.422 4.190 -1.871 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -17.414 2.641 -1.329 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -18.596 5.748 -5.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -20.120 2.271 -2.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -20.899 4.843 -5.669 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -21.665 3.099 -4.072 1.00 0.00 H new ATOM 740 N PRO A 47 -14.443 3.064 -5.907 1.00 0.00 N ATOM 741 CA PRO A 47 -14.626 2.202 -4.747 1.00 0.00 C ATOM 742 C PRO A 47 -13.395 2.071 -3.843 1.00 0.00 C ATOM 743 O PRO A 47 -13.514 1.494 -2.762 1.00 0.00 O ATOM 744 CB PRO A 47 -15.014 0.841 -5.329 1.00 0.00 C ATOM 745 CG PRO A 47 -14.260 0.813 -6.656 1.00 0.00 C ATOM 746 CD PRO A 47 -14.384 2.264 -7.120 1.00 0.00 C ATOM 0 HA PRO A 47 -15.382 2.631 -4.090 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -14.714 0.021 -4.676 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -16.091 0.755 -5.474 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -13.220 0.512 -6.529 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -14.708 0.118 -7.366 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -13.533 2.551 -7.737 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -15.279 2.406 -7.726 1.00 0.00 H new ATOM 754 N TYR A 48 -12.227 2.584 -4.241 1.00 0.00 N ATOM 755 CA TYR A 48 -11.022 2.461 -3.435 1.00 0.00 C ATOM 756 C TYR A 48 -10.860 3.624 -2.464 1.00 0.00 C ATOM 757 O TYR A 48 -11.472 4.682 -2.598 1.00 0.00 O ATOM 758 CB TYR A 48 -9.786 2.393 -4.344 1.00 0.00 C ATOM 759 CG TYR A 48 -9.504 1.009 -4.896 1.00 0.00 C ATOM 760 CD1 TYR A 48 -9.091 -0.009 -4.018 1.00 0.00 C ATOM 761 CD2 TYR A 48 -9.543 0.761 -6.280 1.00 0.00 C ATOM 762 CE1 TYR A 48 -8.681 -1.255 -4.518 1.00 0.00 C ATOM 763 CE2 TYR A 48 -9.134 -0.488 -6.781 1.00 0.00 C ATOM 764 CZ TYR A 48 -8.682 -1.487 -5.902 1.00 0.00 C ATOM 765 OH TYR A 48 -8.184 -2.654 -6.399 1.00 0.00 O ATOM 0 H TYR A 48 -12.097 3.088 -5.118 1.00 0.00 H new ATOM 0 HA TYR A 48 -11.117 1.543 -2.854 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -9.920 3.085 -5.176 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.916 2.734 -3.783 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -9.089 0.169 -2.953 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.887 1.529 -6.957 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.365 -2.033 -3.839 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -9.167 -0.680 -7.843 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.644 -3.098 -5.712 1.00 0.00 H new ATOM 775 N GLN A 49 -10.008 3.390 -1.469 1.00 0.00 N ATOM 776 CA GLN A 49 -9.542 4.365 -0.513 1.00 0.00 C ATOM 777 C GLN A 49 -8.094 3.949 -0.250 1.00 0.00 C ATOM 778 O GLN A 49 -7.780 2.759 -0.234 1.00 0.00 O ATOM 779 CB GLN A 49 -10.407 4.348 0.751 1.00 0.00 C ATOM 780 CG GLN A 49 -10.503 5.701 1.470 1.00 0.00 C ATOM 781 CD GLN A 49 -9.150 6.149 2.007 1.00 0.00 C ATOM 782 OE1 GLN A 49 -8.612 5.541 2.924 1.00 0.00 O ATOM 783 NE2 GLN A 49 -8.561 7.180 1.410 1.00 0.00 N ATOM 0 H GLN A 49 -9.609 2.465 -1.308 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.605 5.392 -0.871 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.412 4.019 0.485 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.003 3.610 1.444 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.889 6.453 0.781 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -11.215 5.627 2.292 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.034 7.667 0.649 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.636 7.484 1.713 1.00 0.00 H new ATOM 792 N THR A 50 -7.214 4.927 -0.092 1.00 0.00 N ATOM 793 CA THR A 50 -5.794 4.718 0.125 1.00 0.00 C ATOM 794 C THR A 50 -5.315 5.606 1.261 1.00 0.00 C ATOM 795 O THR A 50 -5.859 6.689 1.488 1.00 0.00 O ATOM 796 CB THR A 50 -5.025 5.056 -1.162 1.00 0.00 C ATOM 797 OG1 THR A 50 -5.676 4.479 -2.276 1.00 0.00 O ATOM 798 CG2 THR A 50 -3.582 4.554 -1.156 1.00 0.00 C ATOM 0 H THR A 50 -7.477 5.912 -0.112 1.00 0.00 H new ATOM 0 HA THR A 50 -5.615 3.675 0.388 1.00 0.00 H new ATOM 0 HB THR A 50 -5.006 6.144 -1.222 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.182 4.699 -3.093 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.098 4.827 -2.094 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.043 5.007 -0.324 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.574 3.470 -1.046 1.00 0.00 H new ATOM 806 N GLU A 51 -4.275 5.142 1.944 1.00 0.00 N ATOM 807 CA GLU A 51 -3.605 5.880 3.000 1.00 0.00 C ATOM 808 C GLU A 51 -2.105 5.607 2.877 1.00 0.00 C ATOM 809 O GLU A 51 -1.694 4.649 2.217 1.00 0.00 O ATOM 810 CB GLU A 51 -4.224 5.578 4.368 1.00 0.00 C ATOM 811 CG GLU A 51 -3.913 4.163 4.836 1.00 0.00 C ATOM 812 CD GLU A 51 -4.533 3.834 6.194 1.00 0.00 C ATOM 813 OE1 GLU A 51 -5.098 4.759 6.817 1.00 0.00 O ATOM 814 OE2 GLU A 51 -4.430 2.652 6.585 1.00 0.00 O ATOM 0 H GLU A 51 -3.868 4.223 1.773 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.745 6.956 2.896 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.849 6.293 5.101 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.304 5.713 4.315 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.278 3.452 4.094 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.832 4.035 4.895 1.00 0.00 H new ATOM 821 N CYS A 52 -1.297 6.480 3.480 1.00 0.00 N ATOM 822 CA CYS A 52 0.143 6.494 3.348 1.00 0.00 C ATOM 823 C CYS A 52 0.836 6.300 4.691 1.00 0.00 C ATOM 824 O CYS A 52 0.253 6.581 5.736 1.00 0.00 O ATOM 825 CB CYS A 52 0.514 7.847 2.750 1.00 0.00 C ATOM 826 SG CYS A 52 -0.302 8.214 1.176 1.00 0.00 S ATOM 0 H CYS A 52 -1.648 7.217 4.092 1.00 0.00 H new ATOM 0 HA CYS A 52 0.469 5.672 2.711 1.00 0.00 H new ATOM 0 HB2 CYS A 52 0.264 8.629 3.467 1.00 0.00 H new ATOM 0 HB3 CYS A 52 1.594 7.883 2.603 1.00 0.00 H new ATOM 831 N CYS A 53 2.086 5.834 4.657 1.00 0.00 N ATOM 832 CA CYS A 53 2.932 5.623 5.825 1.00 0.00 C ATOM 833 C CYS A 53 4.382 5.798 5.382 1.00 0.00 C ATOM 834 O CYS A 53 4.671 5.698 4.192 1.00 0.00 O ATOM 835 CB CYS A 53 2.690 4.234 6.428 1.00 0.00 C ATOM 836 SG CYS A 53 3.048 2.839 5.331 1.00 0.00 S ATOM 0 H CYS A 53 2.550 5.586 3.783 1.00 0.00 H new ATOM 0 HA CYS A 53 2.695 6.346 6.606 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.301 4.135 7.326 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.648 4.169 6.742 1.00 0.00 H new ATOM 841 N LYS A 54 5.293 6.092 6.313 1.00 0.00 N ATOM 842 CA LYS A 54 6.694 6.330 6.032 1.00 0.00 C ATOM 843 C LYS A 54 7.559 5.386 6.869 1.00 0.00 C ATOM 844 O LYS A 54 7.825 5.655 8.037 1.00 0.00 O ATOM 845 CB LYS A 54 6.995 7.814 6.296 1.00 0.00 C ATOM 846 CG LYS A 54 6.352 8.404 7.563 1.00 0.00 C ATOM 847 CD LYS A 54 6.852 9.839 7.775 1.00 0.00 C ATOM 848 CE LYS A 54 6.311 10.448 9.076 1.00 0.00 C ATOM 849 NZ LYS A 54 4.843 10.577 9.061 1.00 0.00 N ATOM 0 H LYS A 54 5.062 6.171 7.303 1.00 0.00 H new ATOM 0 HA LYS A 54 6.929 6.120 4.989 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.075 7.941 6.365 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.660 8.394 5.436 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.266 8.397 7.469 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.601 7.790 8.429 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.942 9.844 7.798 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.548 10.458 6.931 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.611 9.825 9.919 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.759 11.430 9.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.529 11.069 9.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.551 11.122 8.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.412 9.631 9.026 1.00 0.00 H new ATOM 863 N GLY A 55 7.989 4.267 6.281 1.00 0.00 N ATOM 864 CA GLY A 55 8.835 3.299 6.955 1.00 0.00 C ATOM 865 C GLY A 55 9.033 2.073 6.070 1.00 0.00 C ATOM 866 O GLY A 55 8.203 1.787 5.205 1.00 0.00 O ATOM 0 H GLY A 55 7.755 4.013 5.321 1.00 0.00 H new ATOM 0 HA2 GLY A 55 9.800 3.748 7.189 1.00 0.00 H new ATOM 0 HA3 GLY A 55 8.382 3.005 7.902 1.00 0.00 H new ATOM 870 N ASP A 56 10.139 1.356 6.283 1.00 0.00 N ATOM 871 CA ASP A 56 10.478 0.147 5.555 1.00 0.00 C ATOM 872 C ASP A 56 9.332 -0.851 5.705 1.00 0.00 C ATOM 873 O ASP A 56 8.988 -1.240 6.817 1.00 0.00 O ATOM 874 CB ASP A 56 11.830 -0.408 6.038 1.00 0.00 C ATOM 875 CG ASP A 56 11.993 -0.475 7.556 1.00 0.00 C ATOM 876 OD1 ASP A 56 11.860 0.597 8.188 1.00 0.00 O ATOM 877 OD2 ASP A 56 12.285 -1.582 8.057 1.00 0.00 O ATOM 0 H ASP A 56 10.835 1.612 6.984 1.00 0.00 H new ATOM 0 HA ASP A 56 10.601 0.358 4.493 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.962 -1.409 5.628 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.628 0.212 5.629 1.00 0.00 H new ATOM 882 N ARG A 57 8.732 -1.225 4.569 1.00 0.00 N ATOM 883 CA ARG A 57 7.545 -2.064 4.434 1.00 0.00 C ATOM 884 C ARG A 57 6.460 -1.710 5.457 1.00 0.00 C ATOM 885 O ARG A 57 5.731 -2.583 5.923 1.00 0.00 O ATOM 886 CB ARG A 57 7.898 -3.564 4.398 1.00 0.00 C ATOM 887 CG ARG A 57 8.768 -4.157 5.515 1.00 0.00 C ATOM 888 CD ARG A 57 8.023 -4.371 6.840 1.00 0.00 C ATOM 889 NE ARG A 57 8.863 -5.099 7.803 1.00 0.00 N ATOM 890 CZ ARG A 57 9.927 -4.573 8.426 1.00 0.00 C ATOM 891 NH1 ARG A 57 10.210 -3.276 8.283 1.00 0.00 N ATOM 892 NH2 ARG A 57 10.710 -5.349 9.181 1.00 0.00 N ATOM 0 H ARG A 57 9.090 -0.927 3.661 1.00 0.00 H new ATOM 0 HA ARG A 57 7.104 -1.843 3.462 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.961 -4.121 4.382 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.402 -3.760 3.451 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.172 -5.112 5.179 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.617 -3.496 5.690 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.734 -3.407 7.259 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.104 -4.928 6.659 1.00 0.00 H new ATOM 0 HE ARG A 57 8.620 -6.068 8.010 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.617 -2.686 7.700 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.020 -2.875 8.757 1.00 0.00 H new ATOM 0 HH21 ARG A 57 10.498 -6.341 9.283 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.520 -4.949 9.655 1.00 0.00 H new ATOM 906 N CYS A 58 6.302 -0.418 5.771 1.00 0.00 N ATOM 907 CA CYS A 58 5.255 0.033 6.678 1.00 0.00 C ATOM 908 C CYS A 58 3.881 -0.316 6.104 1.00 0.00 C ATOM 909 O CYS A 58 2.940 -0.602 6.842 1.00 0.00 O ATOM 910 CB CYS A 58 5.377 1.543 6.900 1.00 0.00 C ATOM 911 SG CYS A 58 5.110 2.582 5.438 1.00 0.00 S ATOM 0 H CYS A 58 6.891 0.330 5.406 1.00 0.00 H new ATOM 0 HA CYS A 58 5.368 -0.472 7.638 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.660 1.837 7.667 1.00 0.00 H new ATOM 0 HB3 CYS A 58 6.371 1.754 7.295 1.00 0.00 H new ATOM 916 N ASN A 59 3.767 -0.313 4.775 1.00 0.00 N ATOM 917 CA ASN A 59 2.543 -0.607 4.058 1.00 0.00 C ATOM 918 C ASN A 59 2.331 -2.118 3.962 1.00 0.00 C ATOM 919 O ASN A 59 2.261 -2.671 2.869 1.00 0.00 O ATOM 920 CB ASN A 59 2.586 0.066 2.680 1.00 0.00 C ATOM 921 CG ASN A 59 3.647 -0.499 1.734 1.00 0.00 C ATOM 922 OD1 ASN A 59 4.639 -1.094 2.151 1.00 0.00 O ATOM 923 ND2 ASN A 59 3.454 -0.281 0.439 1.00 0.00 N ATOM 0 H ASN A 59 4.550 -0.099 4.158 1.00 0.00 H new ATOM 0 HA ASN A 59 1.688 -0.203 4.601 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.608 -0.033 2.210 1.00 0.00 H new ATOM 0 HB3 ASN A 59 2.768 1.132 2.815 1.00 0.00 H new ATOM 0 HD21 ASN A 59 4.139 -0.610 -0.241 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.621 0.216 0.124 1.00 0.00 H new ATOM 930 N LYS A 60 2.245 -2.782 5.113 1.00 0.00 N ATOM 931 CA LYS A 60 1.990 -4.213 5.157 1.00 0.00 C ATOM 932 C LYS A 60 0.539 -4.477 4.741 1.00 0.00 C ATOM 933 O LYS A 60 0.328 -5.394 3.917 1.00 0.00 O ATOM 934 CB LYS A 60 2.284 -4.754 6.562 1.00 0.00 C ATOM 935 CG LYS A 60 2.126 -6.280 6.584 1.00 0.00 C ATOM 936 CD LYS A 60 2.446 -6.854 7.969 1.00 0.00 C ATOM 937 CE LYS A 60 2.465 -8.388 7.945 1.00 0.00 C ATOM 938 NZ LYS A 60 1.182 -8.953 7.488 1.00 0.00 N ATOM 939 OXT LYS A 60 -0.344 -3.764 5.267 1.00 0.00 O ATOM 0 H LYS A 60 2.349 -2.346 6.029 1.00 0.00 H new ATOM 0 HA LYS A 60 2.647 -4.734 4.461 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.296 -4.481 6.861 1.00 0.00 H new ATOM 0 HB3 LYS A 60 1.605 -4.300 7.284 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.107 -6.546 6.305 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.787 -6.727 5.841 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.414 -6.481 8.305 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.704 -6.508 8.689 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.265 -8.730 7.288 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.690 -8.763 8.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.205 -9.988 7.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.408 -8.569 8.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.027 -8.701 6.491 1.00 0.00 H new