USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=17 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 23 TYR OH : rot 30:sc= 0.845 USER MOD Set 1.2: A 43 THR OG1 : rot 112:sc= 1.43 USER MOD Single : A 1 ARG N :NH3+ -168:sc= 2.47 (180deg=1.79) USER MOD Single : A 4 TYR OH : rot 180:sc= 0.532 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 33:sc= 0.52 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.274 K(o=-0.27,f=-1) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0185 USER MOD Single : A 24 LYS NZ :NH3+ 169:sc= 0.84 (180deg=0.719) USER MOD Single : A 25 MET CE :methyl -170:sc= -0.0503 (180deg=-0.262) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0902 USER MOD Single : A 30 HIS : no HE2:sc= -0.106 K(o=-0.11,f=-3.2!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -40:sc= 1.27 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 1.38 K(o=1.4,f=-6.6!) USER MOD Single : A 50 THR OG1 : rot -104:sc= 0.401 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0.312 K(o=0.31,f=-9.5!) USER MOD Single : A 60 LYS NZ :NH3+ 171:sc= 1.95 (180deg=1.84) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 12.243 4.597 -0.320 1.00 0.00 N ATOM 2 CA ARG A 1 12.674 3.571 0.634 1.00 0.00 C ATOM 3 C ARG A 1 11.996 2.244 0.263 1.00 0.00 C ATOM 4 O ARG A 1 11.467 2.131 -0.843 1.00 0.00 O ATOM 5 CB ARG A 1 12.357 4.018 2.066 1.00 0.00 C ATOM 6 CG ARG A 1 13.280 3.380 3.121 1.00 0.00 C ATOM 7 CD ARG A 1 12.471 2.959 4.351 1.00 0.00 C ATOM 8 NE ARG A 1 12.035 4.132 5.116 1.00 0.00 N ATOM 9 CZ ARG A 1 10.887 4.800 4.949 1.00 0.00 C ATOM 10 NH1 ARG A 1 9.861 4.296 4.253 1.00 0.00 N ATOM 11 NH2 ARG A 1 10.759 6.018 5.474 1.00 0.00 N ATOM 0 H1 ARG A 1 12.839 5.442 -0.214 1.00 0.00 H new ATOM 0 H2 ARG A 1 12.333 4.230 -1.289 1.00 0.00 H new ATOM 0 H3 ARG A 1 11.251 4.848 -0.135 1.00 0.00 H new ATOM 0 HA ARG A 1 13.753 3.425 0.586 1.00 0.00 H new ATOM 0 HB2 ARG A 1 12.441 5.103 2.128 1.00 0.00 H new ATOM 0 HB3 ARG A 1 11.322 3.765 2.298 1.00 0.00 H new ATOM 0 HG2 ARG A 1 13.785 2.513 2.695 1.00 0.00 H new ATOM 0 HG3 ARG A 1 14.055 4.089 3.412 1.00 0.00 H new ATOM 0 HD2 ARG A 1 11.602 2.380 4.039 1.00 0.00 H new ATOM 0 HD3 ARG A 1 13.076 2.310 4.985 1.00 0.00 H new ATOM 0 HE ARG A 1 12.665 4.470 5.843 1.00 0.00 H new ATOM 0 HH11 ARG A 1 9.938 3.372 3.828 1.00 0.00 H new ATOM 0 HH12 ARG A 1 9.002 4.836 4.148 1.00 0.00 H new ATOM 0 HH21 ARG A 1 11.531 6.432 5.997 1.00 0.00 H new ATOM 0 HH22 ARG A 1 9.889 6.537 5.353 1.00 0.00 H new ATOM 27 N ILE A 2 11.990 1.264 1.168 1.00 0.00 N ATOM 28 CA ILE A 2 11.411 -0.054 0.946 1.00 0.00 C ATOM 29 C ILE A 2 9.899 0.027 1.111 1.00 0.00 C ATOM 30 O ILE A 2 9.424 0.228 2.230 1.00 0.00 O ATOM 31 CB ILE A 2 11.996 -1.051 1.972 1.00 0.00 C ATOM 32 CG1 ILE A 2 13.498 -1.287 1.741 1.00 0.00 C ATOM 33 CG2 ILE A 2 11.248 -2.396 1.942 1.00 0.00 C ATOM 34 CD1 ILE A 2 13.797 -2.140 0.506 1.00 0.00 C ATOM 0 H ILE A 2 12.398 1.371 2.097 1.00 0.00 H new ATOM 0 HA ILE A 2 11.647 -0.395 -0.062 1.00 0.00 H new ATOM 0 HB ILE A 2 11.864 -0.600 2.955 1.00 0.00 H new ATOM 0 HG12 ILE A 2 13.998 -0.324 1.638 1.00 0.00 H new ATOM 0 HG13 ILE A 2 13.921 -1.773 2.620 1.00 0.00 H new ATOM 0 HG21 ILE A 2 11.686 -3.072 2.676 1.00 0.00 H new ATOM 0 HG22 ILE A 2 10.197 -2.233 2.180 1.00 0.00 H new ATOM 0 HG23 ILE A 2 11.331 -2.836 0.948 1.00 0.00 H new ATOM 0 HD11 ILE A 2 14.875 -2.266 0.403 1.00 0.00 H new ATOM 0 HD12 ILE A 2 13.326 -3.117 0.616 1.00 0.00 H new ATOM 0 HD13 ILE A 2 13.404 -1.645 -0.382 1.00 0.00 H new ATOM 46 N CYS A 3 9.160 -0.143 0.012 1.00 0.00 N ATOM 47 CA CYS A 3 7.707 -0.182 0.023 1.00 0.00 C ATOM 48 C CYS A 3 7.295 -1.575 -0.416 1.00 0.00 C ATOM 49 O CYS A 3 7.793 -2.078 -1.423 1.00 0.00 O ATOM 50 CB CYS A 3 7.100 0.860 -0.925 1.00 0.00 C ATOM 51 SG CYS A 3 7.510 2.584 -0.560 1.00 0.00 S ATOM 0 H CYS A 3 9.564 -0.258 -0.917 1.00 0.00 H new ATOM 0 HA CYS A 3 7.343 0.050 1.024 1.00 0.00 H new ATOM 0 HB2 CYS A 3 7.427 0.635 -1.940 1.00 0.00 H new ATOM 0 HB3 CYS A 3 6.015 0.752 -0.908 1.00 0.00 H new ATOM 56 N TYR A 4 6.422 -2.227 0.346 1.00 0.00 N ATOM 57 CA TYR A 4 5.916 -3.524 -0.055 1.00 0.00 C ATOM 58 C TYR A 4 4.878 -3.292 -1.152 1.00 0.00 C ATOM 59 O TYR A 4 4.293 -2.210 -1.239 1.00 0.00 O ATOM 60 CB TYR A 4 5.349 -4.265 1.160 1.00 0.00 C ATOM 61 CG TYR A 4 6.351 -5.041 2.007 1.00 0.00 C ATOM 62 CD1 TYR A 4 7.744 -4.864 1.866 1.00 0.00 C ATOM 63 CD2 TYR A 4 5.873 -5.989 2.930 1.00 0.00 C ATOM 64 CE1 TYR A 4 8.634 -5.666 2.599 1.00 0.00 C ATOM 65 CE2 TYR A 4 6.764 -6.731 3.725 1.00 0.00 C ATOM 66 CZ TYR A 4 8.150 -6.575 3.551 1.00 0.00 C ATOM 67 OH TYR A 4 9.034 -7.220 4.365 1.00 0.00 O ATOM 0 H TYR A 4 6.057 -1.879 1.233 1.00 0.00 H new ATOM 0 HA TYR A 4 6.707 -4.160 -0.452 1.00 0.00 H new ATOM 0 HB2 TYR A 4 4.850 -3.539 1.801 1.00 0.00 H new ATOM 0 HB3 TYR A 4 4.586 -4.960 0.811 1.00 0.00 H new ATOM 0 HD1 TYR A 4 8.126 -4.111 1.193 1.00 0.00 H new ATOM 0 HD2 TYR A 4 4.809 -6.149 3.029 1.00 0.00 H new ATOM 0 HE1 TYR A 4 9.697 -5.582 2.429 1.00 0.00 H new ATOM 0 HE2 TYR A 4 6.385 -7.418 4.467 1.00 0.00 H new ATOM 0 HH TYR A 4 8.546 -7.816 4.971 1.00 0.00 H new ATOM 77 N SER A 5 4.721 -4.285 -2.028 1.00 0.00 N ATOM 78 CA SER A 5 3.782 -4.265 -3.137 1.00 0.00 C ATOM 79 C SER A 5 2.885 -5.505 -3.043 1.00 0.00 C ATOM 80 O SER A 5 2.765 -6.101 -1.972 1.00 0.00 O ATOM 81 CB SER A 5 4.580 -4.195 -4.449 1.00 0.00 C ATOM 82 OG SER A 5 3.722 -3.982 -5.556 1.00 0.00 O ATOM 0 H SER A 5 5.262 -5.148 -1.979 1.00 0.00 H new ATOM 0 HA SER A 5 3.130 -3.392 -3.104 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.311 -3.389 -4.391 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.137 -5.121 -4.589 1.00 0.00 H new ATOM 0 HG SER A 5 4.253 -3.939 -6.378 1.00 0.00 H new ATOM 215 N THR A 14 8.504 -6.613 -3.265 1.00 0.00 N ATOM 216 CA THR A 14 8.942 -5.471 -2.480 1.00 0.00 C ATOM 217 C THR A 14 9.720 -4.535 -3.400 1.00 0.00 C ATOM 218 O THR A 14 10.641 -5.010 -4.065 1.00 0.00 O ATOM 219 CB THR A 14 9.826 -5.991 -1.339 1.00 0.00 C ATOM 220 OG1 THR A 14 10.950 -6.669 -1.867 1.00 0.00 O ATOM 221 CG2 THR A 14 9.064 -6.990 -0.461 1.00 0.00 C ATOM 0 HA THR A 14 8.102 -4.924 -2.052 1.00 0.00 H new ATOM 0 HB THR A 14 10.130 -5.128 -0.746 1.00 0.00 H new ATOM 0 HG1 THR A 14 11.213 -6.255 -2.715 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.715 -7.342 0.339 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.190 -6.502 -0.030 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.744 -7.837 -1.067 1.00 0.00 H new ATOM 229 N LYS A 15 9.380 -3.243 -3.443 1.00 0.00 N ATOM 230 CA LYS A 15 10.036 -2.284 -4.320 1.00 0.00 C ATOM 231 C LYS A 15 10.820 -1.248 -3.509 1.00 0.00 C ATOM 232 O LYS A 15 10.284 -0.584 -2.618 1.00 0.00 O ATOM 233 CB LYS A 15 9.004 -1.630 -5.257 1.00 0.00 C ATOM 234 CG LYS A 15 7.854 -0.898 -4.548 1.00 0.00 C ATOM 235 CD LYS A 15 6.820 -0.328 -5.529 1.00 0.00 C ATOM 236 CE LYS A 15 7.413 0.754 -6.441 1.00 0.00 C ATOM 237 NZ LYS A 15 6.363 1.438 -7.215 1.00 0.00 N ATOM 0 H LYS A 15 8.641 -2.838 -2.868 1.00 0.00 H new ATOM 0 HA LYS A 15 10.760 -2.810 -4.942 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.521 -0.922 -5.904 1.00 0.00 H new ATOM 0 HB3 LYS A 15 8.581 -2.401 -5.902 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.358 -1.586 -3.863 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.262 -0.087 -3.945 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.420 -1.136 -6.141 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.984 0.091 -4.969 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.956 1.482 -5.839 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.134 0.303 -7.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.796 2.163 -7.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.862 0.746 -7.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.689 1.889 -6.563 1.00 0.00 H new ATOM 251 N THR A 16 12.109 -1.117 -3.824 1.00 0.00 N ATOM 252 CA THR A 16 12.975 -0.111 -3.242 1.00 0.00 C ATOM 253 C THR A 16 12.689 1.184 -4.000 1.00 0.00 C ATOM 254 O THR A 16 13.381 1.525 -4.956 1.00 0.00 O ATOM 255 CB THR A 16 14.440 -0.555 -3.363 1.00 0.00 C ATOM 256 OG1 THR A 16 14.552 -1.887 -2.902 1.00 0.00 O ATOM 257 CG2 THR A 16 15.341 0.347 -2.516 1.00 0.00 C ATOM 0 H THR A 16 12.580 -1.718 -4.500 1.00 0.00 H new ATOM 0 HA THR A 16 12.791 0.037 -2.178 1.00 0.00 H new ATOM 0 HB THR A 16 14.751 -0.486 -4.405 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.484 -2.182 -2.976 1.00 0.00 H new ATOM 0 HG21 THR A 16 16.376 0.020 -2.612 1.00 0.00 H new ATOM 0 HG22 THR A 16 15.252 1.377 -2.861 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.037 0.287 -1.471 1.00 0.00 H new ATOM 265 N CYS A 17 11.631 1.885 -3.596 1.00 0.00 N ATOM 266 CA CYS A 17 11.232 3.133 -4.231 1.00 0.00 C ATOM 267 C CYS A 17 12.126 4.255 -3.708 1.00 0.00 C ATOM 268 O CYS A 17 12.975 4.024 -2.847 1.00 0.00 O ATOM 269 CB CYS A 17 9.769 3.427 -3.923 1.00 0.00 C ATOM 270 SG CYS A 17 8.934 4.516 -5.096 1.00 0.00 S ATOM 0 H CYS A 17 11.030 1.602 -2.822 1.00 0.00 H new ATOM 0 HA CYS A 17 11.343 3.055 -5.313 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.227 2.482 -3.881 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.707 3.874 -2.931 1.00 0.00 H new ATOM 275 N VAL A 18 11.906 5.489 -4.154 1.00 0.00 N ATOM 276 CA VAL A 18 12.661 6.635 -3.673 1.00 0.00 C ATOM 277 C VAL A 18 12.012 7.130 -2.381 1.00 0.00 C ATOM 278 O VAL A 18 12.634 7.111 -1.317 1.00 0.00 O ATOM 279 CB VAL A 18 12.744 7.707 -4.780 1.00 0.00 C ATOM 280 CG1 VAL A 18 11.425 8.344 -5.241 1.00 0.00 C ATOM 281 CG2 VAL A 18 13.732 8.812 -4.388 1.00 0.00 C ATOM 0 H VAL A 18 11.202 5.719 -4.856 1.00 0.00 H new ATOM 0 HA VAL A 18 13.691 6.368 -3.438 1.00 0.00 H new ATOM 0 HB VAL A 18 13.089 7.140 -5.645 1.00 0.00 H new ATOM 0 HG11 VAL A 18 11.628 9.078 -6.020 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.765 7.571 -5.634 1.00 0.00 H new ATOM 0 HG13 VAL A 18 10.944 8.836 -4.396 1.00 0.00 H new ATOM 0 HG21 VAL A 18 13.777 9.558 -5.181 1.00 0.00 H new ATOM 0 HG22 VAL A 18 13.401 9.285 -3.463 1.00 0.00 H new ATOM 0 HG23 VAL A 18 14.722 8.380 -4.241 1.00 0.00 H new ATOM 291 N GLU A 19 10.723 7.465 -2.485 1.00 0.00 N ATOM 292 CA GLU A 19 9.889 8.061 -1.448 1.00 0.00 C ATOM 293 C GLU A 19 10.105 7.487 -0.052 1.00 0.00 C ATOM 294 O GLU A 19 10.227 6.276 0.140 1.00 0.00 O ATOM 295 CB GLU A 19 8.400 7.881 -1.774 1.00 0.00 C ATOM 296 CG GLU A 19 7.974 8.563 -3.075 1.00 0.00 C ATOM 297 CD GLU A 19 8.245 10.065 -3.073 1.00 0.00 C ATOM 298 OE1 GLU A 19 7.870 10.709 -2.070 1.00 0.00 O ATOM 299 OE2 GLU A 19 8.828 10.538 -4.072 1.00 0.00 O ATOM 0 H GLU A 19 10.206 7.316 -3.351 1.00 0.00 H new ATOM 0 HA GLU A 19 10.187 9.109 -1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.177 6.816 -1.841 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.805 8.280 -0.952 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.503 8.104 -3.910 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.910 8.391 -3.238 1.00 0.00 H new ATOM 306 N ASN A 20 10.080 8.392 0.926 1.00 0.00 N ATOM 307 CA ASN A 20 10.147 8.060 2.338 1.00 0.00 C ATOM 308 C ASN A 20 8.815 7.446 2.780 1.00 0.00 C ATOM 309 O ASN A 20 8.748 6.787 3.816 1.00 0.00 O ATOM 310 CB ASN A 20 10.458 9.336 3.132 1.00 0.00 C ATOM 311 CG ASN A 20 10.606 9.064 4.627 1.00 0.00 C ATOM 312 OD1 ASN A 20 11.667 8.654 5.086 1.00 0.00 O ATOM 313 ND2 ASN A 20 9.553 9.279 5.409 1.00 0.00 N ATOM 0 H ASN A 20 10.011 9.394 0.749 1.00 0.00 H new ATOM 0 HA ASN A 20 10.936 7.331 2.522 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.377 9.783 2.753 1.00 0.00 H new ATOM 0 HB3 ASN A 20 9.662 10.063 2.974 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.618 9.103 6.412 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.680 9.620 5.007 1.00 0.00 H new ATOM 320 N THR A 21 7.748 7.656 2.006 1.00 0.00 N ATOM 321 CA THR A 21 6.424 7.167 2.316 1.00 0.00 C ATOM 322 C THR A 21 6.007 6.086 1.321 1.00 0.00 C ATOM 323 O THR A 21 6.543 6.005 0.212 1.00 0.00 O ATOM 324 CB THR A 21 5.468 8.365 2.266 1.00 0.00 C ATOM 325 OG1 THR A 21 5.767 9.158 1.131 1.00 0.00 O ATOM 326 CG2 THR A 21 5.618 9.235 3.516 1.00 0.00 C ATOM 0 H THR A 21 7.792 8.181 1.133 1.00 0.00 H new ATOM 0 HA THR A 21 6.402 6.713 3.307 1.00 0.00 H new ATOM 0 HB THR A 21 4.448 7.985 2.213 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.156 9.923 1.096 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.930 10.078 3.457 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.390 8.642 4.402 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.641 9.606 3.581 1.00 0.00 H new ATOM 334 N CYS A 22 5.063 5.238 1.726 1.00 0.00 N ATOM 335 CA CYS A 22 4.471 4.220 0.891 1.00 0.00 C ATOM 336 C CYS A 22 2.988 4.209 1.217 1.00 0.00 C ATOM 337 O CYS A 22 2.616 4.593 2.326 1.00 0.00 O ATOM 338 CB CYS A 22 5.068 2.850 1.179 1.00 0.00 C ATOM 339 SG CYS A 22 6.858 2.747 1.399 1.00 0.00 S ATOM 0 H CYS A 22 4.685 5.249 2.673 1.00 0.00 H new ATOM 0 HA CYS A 22 4.658 4.437 -0.161 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.596 2.461 2.081 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.791 2.184 0.361 1.00 0.00 H new ATOM 344 N TYR A 23 2.143 3.786 0.276 1.00 0.00 N ATOM 345 CA TYR A 23 0.723 3.642 0.538 1.00 0.00 C ATOM 346 C TYR A 23 0.307 2.187 0.496 1.00 0.00 C ATOM 347 O TYR A 23 0.939 1.331 -0.133 1.00 0.00 O ATOM 348 CB TYR A 23 -0.145 4.444 -0.429 1.00 0.00 C ATOM 349 CG TYR A 23 -0.056 4.065 -1.895 1.00 0.00 C ATOM 350 CD1 TYR A 23 -0.842 3.008 -2.394 1.00 0.00 C ATOM 351 CD2 TYR A 23 0.567 4.944 -2.794 1.00 0.00 C ATOM 352 CE1 TYR A 23 -1.085 2.900 -3.774 1.00 0.00 C ATOM 353 CE2 TYR A 23 0.289 4.865 -4.167 1.00 0.00 C ATOM 354 CZ TYR A 23 -0.571 3.868 -4.651 1.00 0.00 C ATOM 355 OH TYR A 23 -0.932 3.854 -5.962 1.00 0.00 O ATOM 0 H TYR A 23 2.424 3.539 -0.673 1.00 0.00 H new ATOM 0 HA TYR A 23 0.562 4.042 1.539 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -1.184 4.347 -0.115 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.121 5.497 -0.332 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -1.259 2.279 -1.715 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.263 5.684 -2.428 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -1.666 2.075 -4.159 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.737 5.571 -4.851 1.00 0.00 H new ATOM 0 HH TYR A 23 -1.836 3.485 -6.049 1.00 0.00 H new ATOM 365 N LYS A 24 -0.808 1.961 1.177 1.00 0.00 N ATOM 366 CA LYS A 24 -1.534 0.713 1.229 1.00 0.00 C ATOM 367 C LYS A 24 -2.966 1.044 0.810 1.00 0.00 C ATOM 368 O LYS A 24 -3.534 2.034 1.277 1.00 0.00 O ATOM 369 CB LYS A 24 -1.436 0.065 2.615 1.00 0.00 C ATOM 370 CG LYS A 24 -1.121 1.016 3.777 1.00 0.00 C ATOM 371 CD LYS A 24 -1.203 0.233 5.096 1.00 0.00 C ATOM 372 CE LYS A 24 -0.524 0.972 6.254 1.00 0.00 C ATOM 373 NZ LYS A 24 -1.100 2.311 6.462 1.00 0.00 N ATOM 0 H LYS A 24 -1.250 2.689 1.738 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.114 -0.033 0.555 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.380 -0.438 2.828 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.665 -0.705 2.581 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.126 1.445 3.654 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.827 1.846 3.787 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.249 0.054 5.345 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.735 -0.743 4.966 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.626 0.387 7.168 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.543 1.063 6.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.750 2.704 7.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.820 2.935 5.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.137 2.241 6.495 1.00 0.00 H new ATOM 387 N MET A 25 -3.504 0.255 -0.122 1.00 0.00 N ATOM 388 CA MET A 25 -4.819 0.414 -0.719 1.00 0.00 C ATOM 389 C MET A 25 -5.769 -0.675 -0.228 1.00 0.00 C ATOM 390 O MET A 25 -5.408 -1.852 -0.181 1.00 0.00 O ATOM 391 CB MET A 25 -4.687 0.365 -2.237 1.00 0.00 C ATOM 392 CG MET A 25 -5.968 0.773 -2.978 1.00 0.00 C ATOM 393 SD MET A 25 -5.978 0.423 -4.757 1.00 0.00 S ATOM 394 CE MET A 25 -4.374 1.094 -5.252 1.00 0.00 C ATOM 0 H MET A 25 -3.004 -0.552 -0.496 1.00 0.00 H new ATOM 0 HA MET A 25 -5.235 1.377 -0.423 1.00 0.00 H new ATOM 0 HB2 MET A 25 -3.874 1.023 -2.544 1.00 0.00 H new ATOM 0 HB3 MET A 25 -4.410 -0.646 -2.537 1.00 0.00 H new ATOM 0 HG2 MET A 25 -6.813 0.260 -2.519 1.00 0.00 H new ATOM 0 HG3 MET A 25 -6.127 1.842 -2.834 1.00 0.00 H new ATOM 0 HE1 MET A 25 -4.308 1.115 -6.340 1.00 0.00 H new ATOM 0 HE2 MET A 25 -4.267 2.106 -4.862 1.00 0.00 H new ATOM 0 HE3 MET A 25 -3.578 0.466 -4.853 1.00 0.00 H new ATOM 404 N PHE A 26 -6.998 -0.280 0.092 1.00 0.00 N ATOM 405 CA PHE A 26 -8.060 -1.135 0.592 1.00 0.00 C ATOM 406 C PHE A 26 -9.369 -0.741 -0.082 1.00 0.00 C ATOM 407 O PHE A 26 -9.487 0.345 -0.653 1.00 0.00 O ATOM 408 CB PHE A 26 -8.176 -0.976 2.116 1.00 0.00 C ATOM 409 CG PHE A 26 -8.082 0.465 2.582 1.00 0.00 C ATOM 410 CD1 PHE A 26 -6.808 1.029 2.769 1.00 0.00 C ATOM 411 CD2 PHE A 26 -9.222 1.293 2.627 1.00 0.00 C ATOM 412 CE1 PHE A 26 -6.676 2.409 2.959 1.00 0.00 C ATOM 413 CE2 PHE A 26 -9.091 2.654 2.961 1.00 0.00 C ATOM 414 CZ PHE A 26 -7.811 3.214 3.127 1.00 0.00 C ATOM 0 H PHE A 26 -7.290 0.693 0.004 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.837 -2.178 0.367 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.127 -1.395 2.446 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -7.388 -1.557 2.595 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.932 0.398 2.766 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.196 0.883 2.405 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.693 2.857 2.976 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -9.971 3.267 3.090 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.704 4.258 3.382 1.00 0.00 H new ATOM 424 N ILE A 27 -10.354 -1.636 -0.036 1.00 0.00 N ATOM 425 CA ILE A 27 -11.689 -1.344 -0.528 1.00 0.00 C ATOM 426 C ILE A 27 -12.362 -0.533 0.577 1.00 0.00 C ATOM 427 O ILE A 27 -12.226 -0.868 1.751 1.00 0.00 O ATOM 428 CB ILE A 27 -12.427 -2.654 -0.861 1.00 0.00 C ATOM 429 CG1 ILE A 27 -11.780 -3.261 -2.117 1.00 0.00 C ATOM 430 CG2 ILE A 27 -13.923 -2.413 -1.111 1.00 0.00 C ATOM 431 CD1 ILE A 27 -12.315 -4.654 -2.453 1.00 0.00 C ATOM 0 H ILE A 27 -10.245 -2.577 0.342 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.688 -0.773 -1.456 1.00 0.00 H new ATOM 0 HB ILE A 27 -12.345 -3.334 -0.013 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -11.953 -2.598 -2.964 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -10.701 -3.318 -1.972 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -14.410 -3.360 -1.343 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -14.376 -1.981 -0.219 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -14.046 -1.727 -1.949 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.819 -5.028 -3.349 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.118 -5.330 -1.621 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.389 -4.598 -2.629 1.00 0.00 H new ATOM 443 N ARG A 28 -13.088 0.529 0.231 1.00 0.00 N ATOM 444 CA ARG A 28 -13.746 1.399 1.198 1.00 0.00 C ATOM 445 C ARG A 28 -14.625 0.587 2.151 1.00 0.00 C ATOM 446 O ARG A 28 -14.595 0.758 3.367 1.00 0.00 O ATOM 447 CB ARG A 28 -14.560 2.449 0.436 1.00 0.00 C ATOM 448 CG ARG A 28 -13.634 3.397 -0.337 1.00 0.00 C ATOM 449 CD ARG A 28 -14.444 4.457 -1.094 1.00 0.00 C ATOM 450 NE ARG A 28 -15.057 5.428 -0.178 1.00 0.00 N ATOM 451 CZ ARG A 28 -14.385 6.370 0.500 1.00 0.00 C ATOM 452 NH1 ARG A 28 -13.063 6.492 0.343 1.00 0.00 N ATOM 453 NH2 ARG A 28 -15.040 7.179 1.337 1.00 0.00 N ATOM 0 H ARG A 28 -13.236 0.810 -0.738 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.999 1.903 1.812 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -15.243 1.955 -0.256 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -15.172 3.020 1.135 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.947 3.884 0.354 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -13.028 2.826 -1.040 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -13.794 4.979 -1.796 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -15.222 3.970 -1.682 1.00 0.00 H new ATOM 0 HE ARG A 28 -16.068 5.382 -0.048 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -12.565 5.869 -0.293 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -12.552 7.209 0.859 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -16.048 7.079 1.459 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -14.532 7.897 1.854 1.00 0.00 H new ATOM 467 N THR A 29 -15.395 -0.332 1.579 1.00 0.00 N ATOM 468 CA THR A 29 -16.271 -1.235 2.299 1.00 0.00 C ATOM 469 C THR A 29 -15.490 -2.166 3.240 1.00 0.00 C ATOM 470 O THR A 29 -16.064 -2.680 4.201 1.00 0.00 O ATOM 471 CB THR A 29 -17.045 -2.053 1.251 1.00 0.00 C ATOM 472 OG1 THR A 29 -17.301 -1.235 0.123 1.00 0.00 O ATOM 473 CG2 THR A 29 -18.374 -2.574 1.803 1.00 0.00 C ATOM 0 H THR A 29 -15.424 -0.469 0.569 1.00 0.00 H new ATOM 0 HA THR A 29 -16.950 -0.661 2.930 1.00 0.00 H new ATOM 0 HB THR A 29 -16.434 -2.913 0.976 1.00 0.00 H new ATOM 0 HG1 THR A 29 -17.793 -1.750 -0.550 1.00 0.00 H new ATOM 0 HG21 THR A 29 -18.889 -3.146 1.031 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.184 -3.215 2.664 1.00 0.00 H new ATOM 0 HG23 THR A 29 -18.997 -1.733 2.107 1.00 0.00 H new ATOM 481 N HIS A 30 -14.204 -2.424 2.967 1.00 0.00 N ATOM 482 CA HIS A 30 -13.362 -3.340 3.728 1.00 0.00 C ATOM 483 C HIS A 30 -12.004 -2.687 4.008 1.00 0.00 C ATOM 484 O HIS A 30 -10.977 -3.131 3.501 1.00 0.00 O ATOM 485 CB HIS A 30 -13.187 -4.651 2.941 1.00 0.00 C ATOM 486 CG HIS A 30 -14.461 -5.332 2.501 1.00 0.00 C ATOM 487 ND1 HIS A 30 -15.667 -5.207 3.175 1.00 0.00 N ATOM 488 CD2 HIS A 30 -14.733 -6.153 1.432 1.00 0.00 C ATOM 489 CE1 HIS A 30 -16.580 -5.930 2.507 1.00 0.00 C ATOM 490 NE2 HIS A 30 -16.073 -6.528 1.428 1.00 0.00 N ATOM 0 H HIS A 30 -13.713 -1.986 2.188 1.00 0.00 H new ATOM 0 HA HIS A 30 -13.836 -3.567 4.683 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -12.585 -4.443 2.056 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -12.619 -5.349 3.557 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -15.830 -4.665 4.023 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -14.006 -6.464 0.696 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -17.613 -6.018 2.810 1.00 0.00 H new ATOM 498 N ARG A 31 -11.990 -1.632 4.825 1.00 0.00 N ATOM 499 CA ARG A 31 -10.778 -0.923 5.193 1.00 0.00 C ATOM 500 C ARG A 31 -9.728 -1.881 5.749 1.00 0.00 C ATOM 501 O ARG A 31 -8.564 -1.847 5.354 1.00 0.00 O ATOM 502 CB ARG A 31 -11.132 0.152 6.222 1.00 0.00 C ATOM 503 CG ARG A 31 -12.175 1.133 5.667 1.00 0.00 C ATOM 504 CD ARG A 31 -13.502 1.147 6.439 1.00 0.00 C ATOM 505 NE ARG A 31 -14.274 -0.091 6.250 1.00 0.00 N ATOM 506 CZ ARG A 31 -14.417 -1.093 7.133 1.00 0.00 C ATOM 507 NH1 ARG A 31 -13.816 -1.056 8.327 1.00 0.00 N ATOM 508 NH2 ARG A 31 -15.165 -2.152 6.811 1.00 0.00 N ATOM 0 H ARG A 31 -12.833 -1.247 5.251 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.350 -0.455 4.306 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -11.518 -0.320 7.126 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.232 0.697 6.506 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -11.752 2.138 5.676 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -12.376 0.881 4.626 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -13.300 1.287 7.501 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -14.100 1.998 6.113 1.00 0.00 H new ATOM 0 HE ARG A 31 -14.751 -0.200 5.355 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -13.236 -0.256 8.582 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.938 -1.827 8.983 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -15.622 -2.195 5.900 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -15.279 -2.917 7.476 1.00 0.00 H new ATOM 522 N GLU A 32 -10.157 -2.764 6.652 1.00 0.00 N ATOM 523 CA GLU A 32 -9.301 -3.748 7.306 1.00 0.00 C ATOM 524 C GLU A 32 -8.985 -4.924 6.361 1.00 0.00 C ATOM 525 O GLU A 32 -9.167 -6.085 6.718 1.00 0.00 O ATOM 526 CB GLU A 32 -9.995 -4.195 8.604 1.00 0.00 C ATOM 527 CG GLU A 32 -9.026 -4.853 9.596 1.00 0.00 C ATOM 528 CD GLU A 32 -9.742 -5.236 10.888 1.00 0.00 C ATOM 529 OE1 GLU A 32 -10.067 -4.302 11.651 1.00 0.00 O ATOM 530 OE2 GLU A 32 -9.958 -6.451 11.084 1.00 0.00 O ATOM 0 H GLU A 32 -11.130 -2.814 6.954 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.336 -3.309 7.558 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.463 -3.332 9.077 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.793 -4.897 8.362 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.585 -5.741 9.144 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.208 -4.168 9.819 1.00 0.00 H new ATOM 537 N TYR A 33 -8.516 -4.625 5.148 1.00 0.00 N ATOM 538 CA TYR A 33 -8.125 -5.592 4.139 1.00 0.00 C ATOM 539 C TYR A 33 -7.215 -4.879 3.141 1.00 0.00 C ATOM 540 O TYR A 33 -7.682 -4.073 2.334 1.00 0.00 O ATOM 541 CB TYR A 33 -9.363 -6.174 3.449 1.00 0.00 C ATOM 542 CG TYR A 33 -9.039 -7.023 2.234 1.00 0.00 C ATOM 543 CD1 TYR A 33 -8.234 -8.169 2.367 1.00 0.00 C ATOM 544 CD2 TYR A 33 -9.437 -6.595 0.953 1.00 0.00 C ATOM 545 CE1 TYR A 33 -7.817 -8.875 1.225 1.00 0.00 C ATOM 546 CE2 TYR A 33 -9.021 -7.302 -0.187 1.00 0.00 C ATOM 547 CZ TYR A 33 -8.208 -8.438 -0.052 1.00 0.00 C ATOM 548 OH TYR A 33 -7.823 -9.125 -1.164 1.00 0.00 O ATOM 0 H TYR A 33 -8.396 -3.661 4.836 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.591 -6.427 4.592 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -9.918 -6.778 4.167 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -10.018 -5.357 3.147 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -7.936 -8.507 3.348 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -10.063 -5.722 0.847 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -7.196 -9.753 1.329 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -9.327 -6.971 -1.168 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.183 -8.684 -1.962 1.00 0.00 H new ATOM 558 N ILE A 34 -5.917 -5.193 3.162 1.00 0.00 N ATOM 559 CA ILE A 34 -4.973 -4.553 2.262 1.00 0.00 C ATOM 560 C ILE A 34 -5.161 -5.243 0.914 1.00 0.00 C ATOM 561 O ILE A 34 -4.777 -6.393 0.711 1.00 0.00 O ATOM 562 CB ILE A 34 -3.531 -4.655 2.789 1.00 0.00 C ATOM 563 CG1 ILE A 34 -3.409 -4.282 4.281 1.00 0.00 C ATOM 564 CG2 ILE A 34 -2.635 -3.739 1.942 1.00 0.00 C ATOM 565 CD1 ILE A 34 -3.997 -2.916 4.657 1.00 0.00 C ATOM 0 H ILE A 34 -5.504 -5.883 3.790 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.156 -3.482 2.174 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.215 -5.695 2.705 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.905 -5.050 4.874 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.355 -4.296 4.559 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.608 -3.800 2.303 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.673 -4.056 0.900 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.987 -2.711 2.022 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.864 -2.744 5.725 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.486 -2.133 4.097 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.060 -2.899 4.417 1.00 0.00 H new ATOM 577 N SER A 35 -5.832 -4.530 0.015 1.00 0.00 N ATOM 578 CA SER A 35 -6.206 -4.990 -1.301 1.00 0.00 C ATOM 579 C SER A 35 -5.024 -4.896 -2.253 1.00 0.00 C ATOM 580 O SER A 35 -4.760 -5.842 -2.989 1.00 0.00 O ATOM 581 CB SER A 35 -7.356 -4.112 -1.786 1.00 0.00 C ATOM 582 OG SER A 35 -8.452 -4.217 -0.895 1.00 0.00 O ATOM 0 H SER A 35 -6.139 -3.575 0.200 1.00 0.00 H new ATOM 0 HA SER A 35 -6.515 -6.035 -1.266 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.029 -3.074 -1.854 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.660 -4.416 -2.788 1.00 0.00 H new ATOM 0 HG SER A 35 -8.546 -5.147 -0.601 1.00 0.00 H new ATOM 588 N GLU A 36 -4.334 -3.756 -2.248 1.00 0.00 N ATOM 589 CA GLU A 36 -3.171 -3.489 -3.089 1.00 0.00 C ATOM 590 C GLU A 36 -2.253 -2.528 -2.328 1.00 0.00 C ATOM 591 O GLU A 36 -2.601 -2.115 -1.226 1.00 0.00 O ATOM 592 CB GLU A 36 -3.669 -2.955 -4.445 1.00 0.00 C ATOM 593 CG GLU A 36 -2.583 -2.796 -5.517 1.00 0.00 C ATOM 594 CD GLU A 36 -3.205 -2.608 -6.897 1.00 0.00 C ATOM 595 OE1 GLU A 36 -3.647 -1.471 -7.169 1.00 0.00 O ATOM 596 OE2 GLU A 36 -3.237 -3.607 -7.648 1.00 0.00 O ATOM 0 H GLU A 36 -4.576 -2.972 -1.642 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.584 -4.381 -3.306 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.437 -3.629 -4.824 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.145 -1.988 -4.285 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.953 -1.939 -5.278 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.938 -3.675 -5.521 1.00 0.00 H new ATOM 603 N ARG A 37 -1.090 -2.175 -2.880 1.00 0.00 N ATOM 604 CA ARG A 37 -0.128 -1.260 -2.274 1.00 0.00 C ATOM 605 C ARG A 37 0.549 -0.425 -3.350 1.00 0.00 C ATOM 606 O ARG A 37 0.401 -0.704 -4.539 1.00 0.00 O ATOM 607 CB ARG A 37 0.948 -2.059 -1.531 1.00 0.00 C ATOM 608 CG ARG A 37 0.531 -2.406 -0.105 1.00 0.00 C ATOM 609 CD ARG A 37 0.879 -3.852 0.252 1.00 0.00 C ATOM 610 NE ARG A 37 0.122 -4.786 -0.591 1.00 0.00 N ATOM 611 CZ ARG A 37 -0.697 -5.762 -0.181 1.00 0.00 C ATOM 612 NH1 ARG A 37 -0.753 -6.199 1.081 1.00 0.00 N ATOM 613 NH2 ARG A 37 -1.485 -6.331 -1.087 1.00 0.00 N ATOM 0 H ARG A 37 -0.786 -2.529 -3.787 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.659 -0.608 -1.580 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.159 -2.977 -2.079 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.873 -1.483 -1.507 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.025 -1.730 0.593 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.542 -2.252 0.008 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.948 -4.018 0.120 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.655 -4.038 1.302 1.00 0.00 H new ATOM 0 HE ARG A 37 0.232 -4.679 -1.599 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.150 -5.784 1.792 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.399 -6.947 1.333 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.453 -6.021 -2.058 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.122 -7.078 -0.811 1.00 0.00 H new ATOM 627 N GLY A 38 1.303 0.590 -2.922 1.00 0.00 N ATOM 628 CA GLY A 38 2.061 1.432 -3.831 1.00 0.00 C ATOM 629 C GLY A 38 3.063 2.299 -3.078 1.00 0.00 C ATOM 630 O GLY A 38 3.129 2.271 -1.850 1.00 0.00 O ATOM 0 H GLY A 38 1.401 0.845 -1.939 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.587 0.809 -4.554 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.379 2.068 -4.395 1.00 0.00 H new ATOM 634 N CYS A 39 3.857 3.062 -3.828 1.00 0.00 N ATOM 635 CA CYS A 39 4.903 3.932 -3.305 1.00 0.00 C ATOM 636 C CYS A 39 4.360 5.340 -3.056 1.00 0.00 C ATOM 637 O CYS A 39 3.478 5.798 -3.778 1.00 0.00 O ATOM 638 CB CYS A 39 6.047 3.961 -4.319 1.00 0.00 C ATOM 639 SG CYS A 39 7.312 5.201 -3.994 1.00 0.00 S ATOM 0 H CYS A 39 3.786 3.091 -4.845 1.00 0.00 H new ATOM 0 HA CYS A 39 5.264 3.551 -2.350 1.00 0.00 H new ATOM 0 HB2 CYS A 39 6.518 2.979 -4.342 1.00 0.00 H new ATOM 0 HB3 CYS A 39 5.631 4.138 -5.311 1.00 0.00 H new ATOM 644 N GLY A 40 4.877 6.030 -2.037 1.00 0.00 N ATOM 645 CA GLY A 40 4.475 7.377 -1.687 1.00 0.00 C ATOM 646 C GLY A 40 3.192 7.439 -0.854 1.00 0.00 C ATOM 647 O GLY A 40 3.170 7.056 0.311 1.00 0.00 O ATOM 0 H GLY A 40 5.601 5.653 -1.425 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.282 7.855 -1.131 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.333 7.953 -2.601 1.00 0.00 H new ATOM 651 N CYS A 41 2.126 7.976 -1.446 1.00 0.00 N ATOM 652 CA CYS A 41 0.844 8.340 -0.849 1.00 0.00 C ATOM 653 C CYS A 41 -0.178 8.251 -2.021 1.00 0.00 C ATOM 654 O CYS A 41 0.269 8.106 -3.157 1.00 0.00 O ATOM 655 CB CYS A 41 1.144 9.711 -0.206 1.00 0.00 C ATOM 656 SG CYS A 41 0.390 10.446 1.281 1.00 0.00 S ATOM 0 H CYS A 41 2.140 8.185 -2.444 1.00 0.00 H new ATOM 0 HA CYS A 41 0.405 7.726 -0.063 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.215 9.702 -0.005 1.00 0.00 H new ATOM 0 HB3 CYS A 41 0.975 10.439 -0.999 1.00 0.00 H new ATOM 661 N PRO A 42 -1.501 8.264 -1.770 1.00 0.00 N ATOM 662 CA PRO A 42 -2.646 8.009 -2.635 1.00 0.00 C ATOM 663 C PRO A 42 -2.607 8.047 -4.161 1.00 0.00 C ATOM 664 O PRO A 42 -1.833 8.725 -4.832 1.00 0.00 O ATOM 665 CB PRO A 42 -3.737 8.949 -2.135 1.00 0.00 C ATOM 666 CG PRO A 42 -3.556 8.844 -0.628 1.00 0.00 C ATOM 667 CD PRO A 42 -2.055 8.594 -0.481 1.00 0.00 C ATOM 0 HA PRO A 42 -2.772 6.931 -2.532 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -3.598 9.968 -2.495 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.730 8.631 -2.453 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.865 9.757 -0.119 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.145 8.029 -0.206 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.565 9.480 -0.077 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.877 7.782 0.224 1.00 0.00 H new ATOM 675 N THR A 43 -3.571 7.281 -4.679 1.00 0.00 N ATOM 676 CA THR A 43 -3.971 7.041 -6.057 1.00 0.00 C ATOM 677 C THR A 43 -5.305 6.280 -5.926 1.00 0.00 C ATOM 678 O THR A 43 -5.856 6.233 -4.827 1.00 0.00 O ATOM 679 CB THR A 43 -2.898 6.248 -6.844 1.00 0.00 C ATOM 680 OG1 THR A 43 -1.589 6.438 -6.338 1.00 0.00 O ATOM 681 CG2 THR A 43 -2.851 6.688 -8.312 1.00 0.00 C ATOM 0 H THR A 43 -4.167 6.744 -4.049 1.00 0.00 H new ATOM 0 HA THR A 43 -4.083 7.961 -6.631 1.00 0.00 H new ATOM 0 HB THR A 43 -3.192 5.203 -6.741 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.271 5.604 -5.933 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.089 6.114 -8.840 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.822 6.514 -8.775 1.00 0.00 H new ATOM 0 HG23 THR A 43 -2.609 7.749 -8.366 1.00 0.00 H new ATOM 689 N ALA A 44 -5.809 5.661 -6.997 1.00 0.00 N ATOM 690 CA ALA A 44 -7.052 4.885 -7.003 1.00 0.00 C ATOM 691 C ALA A 44 -8.281 5.786 -6.837 1.00 0.00 C ATOM 692 O ALA A 44 -8.160 6.997 -6.657 1.00 0.00 O ATOM 693 CB ALA A 44 -7.024 3.794 -5.919 1.00 0.00 C ATOM 0 H ALA A 44 -5.351 5.686 -7.908 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.129 4.399 -7.976 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.958 3.232 -5.944 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.189 3.118 -6.104 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.906 4.257 -4.939 1.00 0.00 H new ATOM 699 N MET A 45 -9.473 5.192 -6.948 1.00 0.00 N ATOM 700 CA MET A 45 -10.754 5.844 -6.842 1.00 0.00 C ATOM 701 C MET A 45 -11.757 4.857 -6.239 1.00 0.00 C ATOM 702 O MET A 45 -11.521 3.647 -6.250 1.00 0.00 O ATOM 703 CB MET A 45 -11.203 6.235 -8.250 1.00 0.00 C ATOM 704 CG MET A 45 -10.461 7.463 -8.790 1.00 0.00 C ATOM 705 SD MET A 45 -11.105 8.093 -10.360 1.00 0.00 S ATOM 706 CE MET A 45 -9.976 9.480 -10.614 1.00 0.00 C ATOM 0 H MET A 45 -9.560 4.191 -7.123 1.00 0.00 H new ATOM 0 HA MET A 45 -10.691 6.730 -6.210 1.00 0.00 H new ATOM 0 HB2 MET A 45 -11.043 5.394 -8.924 1.00 0.00 H new ATOM 0 HB3 MET A 45 -12.274 6.438 -8.242 1.00 0.00 H new ATOM 0 HG2 MET A 45 -10.509 8.258 -8.046 1.00 0.00 H new ATOM 0 HG3 MET A 45 -9.409 7.210 -8.918 1.00 0.00 H new ATOM 0 HE1 MET A 45 -10.228 9.989 -11.545 1.00 0.00 H new ATOM 0 HE2 MET A 45 -10.066 10.179 -9.783 1.00 0.00 H new ATOM 0 HE3 MET A 45 -8.952 9.110 -10.668 1.00 0.00 H new ATOM 716 N TRP A 46 -12.881 5.383 -5.744 1.00 0.00 N ATOM 717 CA TRP A 46 -13.989 4.617 -5.185 1.00 0.00 C ATOM 718 C TRP A 46 -14.351 3.484 -6.162 1.00 0.00 C ATOM 719 O TRP A 46 -14.429 3.744 -7.362 1.00 0.00 O ATOM 720 CB TRP A 46 -15.137 5.594 -4.935 1.00 0.00 C ATOM 721 CG TRP A 46 -16.366 5.142 -4.204 1.00 0.00 C ATOM 722 CD1 TRP A 46 -17.172 4.099 -4.506 1.00 0.00 C ATOM 723 CD2 TRP A 46 -16.998 5.806 -3.076 1.00 0.00 C ATOM 724 NE1 TRP A 46 -18.192 4.011 -3.579 1.00 0.00 N ATOM 725 CE2 TRP A 46 -18.134 5.051 -2.673 1.00 0.00 C ATOM 726 CE3 TRP A 46 -16.726 6.993 -2.370 1.00 0.00 C ATOM 727 CZ2 TRP A 46 -18.934 5.429 -1.584 1.00 0.00 C ATOM 728 CZ3 TRP A 46 -17.520 7.386 -1.276 1.00 0.00 C ATOM 729 CH2 TRP A 46 -18.614 6.598 -0.874 1.00 0.00 C ATOM 0 H TRP A 46 -13.046 6.389 -5.723 1.00 0.00 H new ATOM 0 HA TRP A 46 -13.737 4.142 -4.237 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -14.727 6.441 -4.385 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -15.459 5.970 -5.906 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -17.038 3.434 -5.347 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -18.897 3.274 -3.566 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -15.895 7.612 -2.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -19.784 4.829 -1.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -17.288 8.296 -0.743 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -19.207 6.892 -0.020 1.00 0.00 H new ATOM 740 N PRO A 47 -14.579 2.237 -5.709 1.00 0.00 N ATOM 741 CA PRO A 47 -14.705 1.789 -4.325 1.00 0.00 C ATOM 742 C PRO A 47 -13.380 1.493 -3.615 1.00 0.00 C ATOM 743 O PRO A 47 -13.411 0.893 -2.542 1.00 0.00 O ATOM 744 CB PRO A 47 -15.568 0.524 -4.419 1.00 0.00 C ATOM 745 CG PRO A 47 -15.110 -0.087 -5.742 1.00 0.00 C ATOM 746 CD PRO A 47 -14.909 1.150 -6.617 1.00 0.00 C ATOM 0 HA PRO A 47 -15.139 2.582 -3.716 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -15.395 -0.149 -3.579 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -16.633 0.758 -4.426 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -14.189 -0.660 -5.629 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -15.857 -0.763 -6.158 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -14.109 0.990 -7.340 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -15.812 1.377 -7.185 1.00 0.00 H new ATOM 754 N TYR A 48 -12.228 1.893 -4.160 1.00 0.00 N ATOM 755 CA TYR A 48 -10.944 1.707 -3.497 1.00 0.00 C ATOM 756 C TYR A 48 -10.484 3.018 -2.886 1.00 0.00 C ATOM 757 O TYR A 48 -10.879 4.096 -3.328 1.00 0.00 O ATOM 758 CB TYR A 48 -9.874 1.249 -4.491 1.00 0.00 C ATOM 759 CG TYR A 48 -10.070 -0.175 -4.964 1.00 0.00 C ATOM 760 CD1 TYR A 48 -10.906 -0.439 -6.065 1.00 0.00 C ATOM 761 CD2 TYR A 48 -9.476 -1.240 -4.263 1.00 0.00 C ATOM 762 CE1 TYR A 48 -11.137 -1.763 -6.473 1.00 0.00 C ATOM 763 CE2 TYR A 48 -9.693 -2.563 -4.685 1.00 0.00 C ATOM 764 CZ TYR A 48 -10.527 -2.825 -5.783 1.00 0.00 C ATOM 765 OH TYR A 48 -10.753 -4.114 -6.164 1.00 0.00 O ATOM 0 H TYR A 48 -12.164 2.352 -5.069 1.00 0.00 H new ATOM 0 HA TYR A 48 -11.077 0.947 -2.727 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -9.880 1.915 -5.353 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.893 1.338 -4.025 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.371 0.378 -6.597 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -8.854 -1.042 -3.402 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -11.782 -1.965 -7.315 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -9.217 -3.380 -4.163 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.252 -4.721 -5.579 1.00 0.00 H new ATOM 775 N GLN A 49 -9.632 2.917 -1.869 1.00 0.00 N ATOM 776 CA GLN A 49 -8.965 4.072 -1.314 1.00 0.00 C ATOM 777 C GLN A 49 -7.635 3.622 -0.731 1.00 0.00 C ATOM 778 O GLN A 49 -7.485 2.514 -0.223 1.00 0.00 O ATOM 779 CB GLN A 49 -9.788 4.763 -0.225 1.00 0.00 C ATOM 780 CG GLN A 49 -9.455 6.262 -0.146 1.00 0.00 C ATOM 781 CD GLN A 49 -9.637 6.808 1.265 1.00 0.00 C ATOM 782 OE1 GLN A 49 -10.732 7.216 1.642 1.00 0.00 O ATOM 783 NE2 GLN A 49 -8.568 6.826 2.057 1.00 0.00 N ATOM 0 H GLN A 49 -9.392 2.036 -1.415 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.824 4.797 -2.115 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.851 4.634 -0.431 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.590 4.292 0.738 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.426 6.423 -0.468 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.095 6.813 -0.835 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.672 6.479 1.713 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.644 7.186 3.008 1.00 0.00 H new ATOM 792 N THR A 50 -6.675 4.520 -0.847 1.00 0.00 N ATOM 793 CA THR A 50 -5.330 4.431 -0.325 1.00 0.00 C ATOM 794 C THR A 50 -5.189 5.199 0.986 1.00 0.00 C ATOM 795 O THR A 50 -5.914 6.168 1.221 1.00 0.00 O ATOM 796 CB THR A 50 -4.393 5.060 -1.356 1.00 0.00 C ATOM 797 OG1 THR A 50 -5.067 6.140 -1.977 1.00 0.00 O ATOM 798 CG2 THR A 50 -3.990 4.062 -2.431 1.00 0.00 C ATOM 0 H THR A 50 -6.830 5.396 -1.347 1.00 0.00 H new ATOM 0 HA THR A 50 -5.089 3.385 -0.136 1.00 0.00 H new ATOM 0 HB THR A 50 -3.492 5.394 -0.841 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.356 5.873 -2.875 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.324 4.546 -3.145 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.476 3.218 -1.970 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.880 3.706 -2.949 1.00 0.00 H new ATOM 806 N GLU A 51 -4.223 4.777 1.804 1.00 0.00 N ATOM 807 CA GLU A 51 -3.774 5.489 2.996 1.00 0.00 C ATOM 808 C GLU A 51 -2.247 5.361 3.004 1.00 0.00 C ATOM 809 O GLU A 51 -1.723 4.325 2.587 1.00 0.00 O ATOM 810 CB GLU A 51 -4.474 4.983 4.262 1.00 0.00 C ATOM 811 CG GLU A 51 -3.898 3.654 4.746 1.00 0.00 C ATOM 812 CD GLU A 51 -4.651 3.041 5.923 1.00 0.00 C ATOM 813 OE1 GLU A 51 -5.819 3.431 6.136 1.00 0.00 O ATOM 814 OE2 GLU A 51 -4.030 2.187 6.593 1.00 0.00 O ATOM 0 H GLU A 51 -3.718 3.904 1.648 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.046 6.544 2.979 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.377 5.728 5.051 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.539 4.865 4.064 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.901 2.946 3.918 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.857 3.804 5.033 1.00 0.00 H new ATOM 821 N CYS A 52 -1.537 6.417 3.415 1.00 0.00 N ATOM 822 CA CYS A 52 -0.085 6.480 3.385 1.00 0.00 C ATOM 823 C CYS A 52 0.511 6.041 4.711 1.00 0.00 C ATOM 824 O CYS A 52 -0.188 5.932 5.718 1.00 0.00 O ATOM 825 CB CYS A 52 0.396 7.914 3.115 1.00 0.00 C ATOM 826 SG CYS A 52 -0.734 8.991 2.233 1.00 0.00 S ATOM 0 H CYS A 52 -1.970 7.264 3.783 1.00 0.00 H new ATOM 0 HA CYS A 52 0.241 5.812 2.587 1.00 0.00 H new ATOM 0 HB2 CYS A 52 0.632 8.379 4.072 1.00 0.00 H new ATOM 0 HB3 CYS A 52 1.326 7.860 2.549 1.00 0.00 H new ATOM 831 N CYS A 53 1.820 5.813 4.699 1.00 0.00 N ATOM 832 CA CYS A 53 2.614 5.492 5.876 1.00 0.00 C ATOM 833 C CYS A 53 4.076 5.759 5.548 1.00 0.00 C ATOM 834 O CYS A 53 4.410 5.968 4.382 1.00 0.00 O ATOM 835 CB CYS A 53 2.395 4.045 6.327 1.00 0.00 C ATOM 836 SG CYS A 53 2.888 2.775 5.141 1.00 0.00 S ATOM 0 H CYS A 53 2.373 5.848 3.843 1.00 0.00 H new ATOM 0 HA CYS A 53 2.303 6.120 6.711 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.946 3.885 7.254 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.338 3.911 6.557 1.00 0.00 H new ATOM 841 N LYS A 54 4.934 5.761 6.571 1.00 0.00 N ATOM 842 CA LYS A 54 6.367 5.926 6.490 1.00 0.00 C ATOM 843 C LYS A 54 7.000 4.780 7.282 1.00 0.00 C ATOM 844 O LYS A 54 6.376 4.268 8.210 1.00 0.00 O ATOM 845 CB LYS A 54 6.757 7.287 7.073 1.00 0.00 C ATOM 846 CG LYS A 54 6.033 7.640 8.381 1.00 0.00 C ATOM 847 CD LYS A 54 6.611 8.930 8.974 1.00 0.00 C ATOM 848 CE LYS A 54 5.883 9.293 10.273 1.00 0.00 C ATOM 849 NZ LYS A 54 6.423 10.528 10.866 1.00 0.00 N ATOM 0 H LYS A 54 4.616 5.639 7.532 1.00 0.00 H new ATOM 0 HA LYS A 54 6.717 5.898 5.458 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.832 7.299 7.251 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.547 8.060 6.334 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.966 7.763 8.193 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.138 6.824 9.095 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.676 8.803 9.170 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.514 9.744 8.255 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.819 9.419 10.072 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.978 8.474 10.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.909 10.746 11.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.433 10.398 11.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.310 11.314 10.194 1.00 0.00 H new ATOM 863 N GLY A 55 8.231 4.404 6.928 1.00 0.00 N ATOM 864 CA GLY A 55 8.982 3.317 7.540 1.00 0.00 C ATOM 865 C GLY A 55 9.147 2.171 6.540 1.00 0.00 C ATOM 866 O GLY A 55 8.293 1.968 5.669 1.00 0.00 O ATOM 0 H GLY A 55 8.747 4.868 6.180 1.00 0.00 H new ATOM 0 HA2 GLY A 55 9.960 3.675 7.861 1.00 0.00 H new ATOM 0 HA3 GLY A 55 8.464 2.962 8.431 1.00 0.00 H new ATOM 870 N ASP A 56 10.260 1.431 6.632 1.00 0.00 N ATOM 871 CA ASP A 56 10.501 0.295 5.764 1.00 0.00 C ATOM 872 C ASP A 56 9.315 -0.639 5.858 1.00 0.00 C ATOM 873 O ASP A 56 8.837 -0.904 6.956 1.00 0.00 O ATOM 874 CB ASP A 56 11.796 -0.435 6.135 1.00 0.00 C ATOM 875 CG ASP A 56 11.854 -0.985 7.555 1.00 0.00 C ATOM 876 OD1 ASP A 56 11.634 -0.179 8.486 1.00 0.00 O ATOM 877 OD2 ASP A 56 12.177 -2.188 7.677 1.00 0.00 O ATOM 0 H ASP A 56 11.005 1.609 7.306 1.00 0.00 H new ATOM 0 HA ASP A 56 10.620 0.647 4.739 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.940 -1.260 5.438 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.632 0.250 5.995 1.00 0.00 H new ATOM 882 N ARG A 57 8.837 -1.075 4.692 1.00 0.00 N ATOM 883 CA ARG A 57 7.693 -1.958 4.537 1.00 0.00 C ATOM 884 C ARG A 57 6.502 -1.581 5.426 1.00 0.00 C ATOM 885 O ARG A 57 5.740 -2.460 5.824 1.00 0.00 O ATOM 886 CB ARG A 57 8.128 -3.413 4.760 1.00 0.00 C ATOM 887 CG ARG A 57 8.566 -3.815 6.177 1.00 0.00 C ATOM 888 CD ARG A 57 10.082 -3.899 6.317 1.00 0.00 C ATOM 889 NE ARG A 57 10.642 -5.027 5.568 1.00 0.00 N ATOM 890 CZ ARG A 57 11.956 -5.250 5.455 1.00 0.00 C ATOM 891 NH1 ARG A 57 12.834 -4.443 6.066 1.00 0.00 N ATOM 892 NH2 ARG A 57 12.372 -6.290 4.727 1.00 0.00 N ATOM 0 H ARG A 57 9.255 -0.810 3.800 1.00 0.00 H new ATOM 0 HA ARG A 57 7.332 -1.842 3.515 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.301 -4.060 4.468 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.953 -3.625 4.080 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.178 -3.091 6.893 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.127 -4.780 6.430 1.00 0.00 H new ATOM 0 HD2 ARG A 57 10.530 -2.971 5.963 1.00 0.00 H new ATOM 0 HD3 ARG A 57 10.344 -3.998 7.370 1.00 0.00 H new ATOM 0 HE ARG A 57 9.999 -5.673 5.111 1.00 0.00 H new ATOM 0 HH11 ARG A 57 12.501 -3.654 6.621 1.00 0.00 H new ATOM 0 HH12 ARG A 57 13.835 -4.618 5.977 1.00 0.00 H new ATOM 0 HH21 ARG A 57 11.692 -6.897 4.270 1.00 0.00 H new ATOM 0 HH22 ARG A 57 13.370 -6.477 4.629 1.00 0.00 H new ATOM 906 N CYS A 58 6.301 -0.292 5.726 1.00 0.00 N ATOM 907 CA CYS A 58 5.178 0.118 6.557 1.00 0.00 C ATOM 908 C CYS A 58 3.849 -0.310 5.928 1.00 0.00 C ATOM 909 O CYS A 58 2.912 -0.684 6.630 1.00 0.00 O ATOM 910 CB CYS A 58 5.229 1.631 6.768 1.00 0.00 C ATOM 911 SG CYS A 58 4.959 2.639 5.288 1.00 0.00 S ATOM 0 H CYS A 58 6.897 0.472 5.407 1.00 0.00 H new ATOM 0 HA CYS A 58 5.251 -0.375 7.527 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.479 1.901 7.511 1.00 0.00 H new ATOM 0 HB3 CYS A 58 6.201 1.888 7.188 1.00 0.00 H new ATOM 916 N ASN A 59 3.769 -0.284 4.597 1.00 0.00 N ATOM 917 CA ASN A 59 2.588 -0.639 3.837 1.00 0.00 C ATOM 918 C ASN A 59 2.578 -2.132 3.507 1.00 0.00 C ATOM 919 O ASN A 59 2.466 -2.500 2.342 1.00 0.00 O ATOM 920 CB ASN A 59 2.567 0.212 2.561 1.00 0.00 C ATOM 921 CG ASN A 59 3.699 -0.132 1.594 1.00 0.00 C ATOM 922 OD1 ASN A 59 4.771 -0.589 1.992 1.00 0.00 O ATOM 923 ND2 ASN A 59 3.483 0.105 0.309 1.00 0.00 N ATOM 0 H ASN A 59 4.553 -0.005 4.007 1.00 0.00 H new ATOM 0 HA ASN A 59 1.693 -0.440 4.426 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.611 0.075 2.056 1.00 0.00 H new ATOM 0 HB3 ASN A 59 2.636 1.265 2.832 1.00 0.00 H new ATOM 0 HD21 ASN A 59 4.213 -0.091 -0.376 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.586 0.484 0.004 1.00 0.00 H new ATOM 930 N LYS A 60 2.716 -3.001 4.506 1.00 0.00 N ATOM 931 CA LYS A 60 2.658 -4.432 4.250 1.00 0.00 C ATOM 932 C LYS A 60 1.191 -4.848 4.084 1.00 0.00 C ATOM 933 O LYS A 60 0.910 -5.611 3.129 1.00 0.00 O ATOM 934 CB LYS A 60 3.412 -5.231 5.329 1.00 0.00 C ATOM 935 CG LYS A 60 2.811 -5.277 6.741 1.00 0.00 C ATOM 936 CD LYS A 60 3.092 -4.041 7.613 1.00 0.00 C ATOM 937 CE LYS A 60 1.803 -3.427 8.177 1.00 0.00 C ATOM 938 NZ LYS A 60 0.979 -2.796 7.131 1.00 0.00 N ATOM 939 OXT LYS A 60 0.362 -4.374 4.891 1.00 0.00 O ATOM 0 H LYS A 60 2.866 -2.743 5.481 1.00 0.00 H new ATOM 0 HA LYS A 60 3.175 -4.666 3.319 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.514 -6.257 4.975 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.418 -4.820 5.407 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.732 -5.404 6.655 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.196 -6.159 7.254 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.750 -4.320 8.436 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.621 -3.293 7.022 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.222 -4.203 8.675 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.058 -2.684 8.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.055 -2.532 7.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.460 -1.944 6.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.840 -3.466 6.348 1.00 0.00 H new