USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 408 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 14 CYS SG : rot -101:sc= -14.6! USER MOD Set 1.2: A 39 CYS SG : rot -87:sc= -16.9! USER MOD Set 1.3: A 60 CYS SG : rot -60:sc= -18.1! USER MOD Set 1.4: A 64 CYS SG : rot -40:sc= -21.6! USER MOD Single : A 10 LYS NZ :NH3+ 171:sc= 0.258 (180deg=0.214) USER MOD Single : A 23 CYS SG : rot 180:sc= 0.119 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 154:sc= -0.686 USER MOD Single : A 32 TYR OH : rot 104:sc= 0.149 USER MOD Single : A 33 ASN : amide:sc= -1.13 K(o=-1.1,f=-2.5) USER MOD Single : A 34 ASN : amide:sc= -0.078 X(o=-0.078,f=-0.57) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 100:sc= -0.751! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -5.06! C(o=-5.1!,f=-8.6!) USER MOD Single : A 51 MET CE :methyl -148:sc= -1.05 (180deg=-2.95) USER MOD Single : A 52 ASN : amide:sc= -1.31 K(o=-1.3,f=-8.4!) USER MOD Single : A 53 ASN : amide:sc= -2.65! C(o=-2.7!,f=-5.7!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.62 USER MOD Single : A 61 LYS NZ :NH3+ 169:sc= -2.55 (180deg=-2.62) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 145 N LYS A 10 12.020 -5.875 6.016 1.00 1.00 N ATOM 146 CA LYS A 10 11.675 -6.721 7.145 1.00 1.00 C ATOM 147 C LYS A 10 10.152 -6.814 7.261 1.00 1.00 C ATOM 148 O LYS A 10 9.472 -5.846 6.888 1.00 1.00 O ATOM 149 CB LYS A 10 12.358 -6.219 8.419 1.00 1.00 C ATOM 150 CG LYS A 10 13.377 -7.239 8.933 1.00 1.00 C ATOM 151 CD LYS A 10 13.353 -7.315 10.461 1.00 1.00 C ATOM 152 CE LYS A 10 14.749 -7.082 11.043 1.00 1.00 C ATOM 153 NZ LYS A 10 14.962 -7.931 12.226 1.00 1.00 N ATOM 0 HA LYS A 10 12.046 -7.734 6.989 1.00 1.00 H new ATOM 0 HB2 LYS A 10 12.857 -5.271 8.219 1.00 1.00 H new ATOM 0 HB3 LYS A 10 11.608 -6.029 9.187 1.00 1.00 H new ATOM 0 HG2 LYS A 10 13.158 -8.221 8.513 1.00 1.00 H new ATOM 0 HG3 LYS A 10 14.376 -6.963 8.595 1.00 1.00 H new ATOM 0 HD2 LYS A 10 12.662 -6.570 10.855 1.00 1.00 H new ATOM 0 HD3 LYS A 10 12.983 -8.291 10.774 1.00 1.00 H new ATOM 0 HE2 LYS A 10 15.505 -7.302 10.289 1.00 1.00 H new ATOM 0 HE3 LYS A 10 14.866 -6.033 11.315 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 15.959 -7.876 12.518 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 14.355 -7.601 13.004 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 14.723 -8.916 11.994 1.00 1.00 H new ATOM 167 N PRO A 11 9.655 -7.957 7.766 1.00 1.00 N ATOM 168 CA PRO A 11 8.234 -8.205 7.941 1.00 1.00 C ATOM 169 C PRO A 11 7.668 -7.365 9.088 1.00 1.00 C ATOM 170 O PRO A 11 7.949 -7.689 10.251 1.00 1.00 O ATOM 171 CB PRO A 11 8.124 -9.701 8.190 1.00 1.00 C ATOM 172 CG PRO A 11 9.513 -10.158 8.606 1.00 1.00 C ATOM 173 CD PRO A 11 10.490 -9.044 8.268 1.00 1.00 C ATOM 0 HA PRO A 11 7.646 -7.915 7.070 1.00 1.00 H new ATOM 0 HB2 PRO A 11 7.393 -9.914 8.970 1.00 1.00 H new ATOM 0 HB3 PRO A 11 7.794 -10.223 7.292 1.00 1.00 H new ATOM 0 HG2 PRO A 11 9.539 -10.378 9.673 1.00 1.00 H new ATOM 0 HG3 PRO A 11 9.785 -11.076 8.085 1.00 1.00 H new ATOM 0 HD2 PRO A 11 11.057 -8.735 9.146 1.00 1.00 H new ATOM 0 HD3 PRO A 11 11.213 -9.366 7.519 1.00 1.00 H new ATOM 181 N ASP A 12 6.895 -6.320 8.744 1.00 1.00 N ATOM 182 CA ASP A 12 6.297 -5.444 9.737 1.00 1.00 C ATOM 183 C ASP A 12 5.321 -6.249 10.599 1.00 1.00 C ATOM 184 O ASP A 12 5.145 -5.897 11.774 1.00 1.00 O ATOM 185 CB ASP A 12 5.515 -4.309 9.072 1.00 1.00 C ATOM 186 CG ASP A 12 5.048 -3.204 10.021 1.00 1.00 C ATOM 187 OD1 ASP A 12 5.821 -2.306 10.385 1.00 1.00 O ATOM 188 OD2 ASP A 12 3.816 -3.290 10.394 1.00 1.00 O ATOM 0 H ASP A 12 6.676 -6.070 7.780 1.00 1.00 H new ATOM 0 HA ASP A 12 7.100 -5.022 10.342 1.00 1.00 H new ATOM 0 HB2 ASP A 12 6.139 -3.863 8.298 1.00 1.00 H new ATOM 0 HB3 ASP A 12 4.643 -4.732 8.574 1.00 1.00 H new ATOM 193 N PHE A 13 4.717 -7.295 10.007 1.00 1.00 N ATOM 194 CA PHE A 13 3.770 -8.138 10.716 1.00 1.00 C ATOM 195 C PHE A 13 4.442 -8.717 11.962 1.00 1.00 C ATOM 196 O PHE A 13 3.729 -9.024 12.928 1.00 1.00 O ATOM 197 CB PHE A 13 3.293 -9.264 9.778 1.00 1.00 C ATOM 198 CG PHE A 13 4.333 -10.341 9.498 1.00 1.00 C ATOM 199 CD1 PHE A 13 4.723 -11.240 10.518 1.00 1.00 C ATOM 200 CD2 PHE A 13 4.920 -10.443 8.216 1.00 1.00 C ATOM 201 CE1 PHE A 13 5.691 -12.233 10.256 1.00 1.00 C ATOM 202 CE2 PHE A 13 5.887 -11.436 7.955 1.00 1.00 C ATOM 203 CZ PHE A 13 6.273 -12.332 8.974 1.00 1.00 C ATOM 0 H PHE A 13 4.876 -7.567 9.037 1.00 1.00 H new ATOM 0 HA PHE A 13 2.905 -7.553 11.028 1.00 1.00 H new ATOM 0 HB2 PHE A 13 2.412 -9.734 10.215 1.00 1.00 H new ATOM 0 HB3 PHE A 13 2.983 -8.823 8.831 1.00 1.00 H new ATOM 0 HD1 PHE A 13 4.279 -11.166 11.500 1.00 1.00 H new ATOM 0 HD2 PHE A 13 4.627 -9.758 7.434 1.00 1.00 H new ATOM 0 HE1 PHE A 13 5.987 -12.918 11.037 1.00 1.00 H new ATOM 0 HE2 PHE A 13 6.332 -11.511 6.974 1.00 1.00 H new ATOM 0 HZ PHE A 13 7.013 -13.093 8.773 1.00 1.00 H new ATOM 213 N CYS A 14 5.780 -8.853 11.917 1.00 1.00 N ATOM 214 CA CYS A 14 6.537 -9.390 13.034 1.00 1.00 C ATOM 215 C CYS A 14 6.424 -8.437 14.226 1.00 1.00 C ATOM 216 O CYS A 14 6.324 -8.923 15.362 1.00 1.00 O ATOM 217 CB CYS A 14 7.994 -9.643 12.642 1.00 1.00 C ATOM 218 SG CYS A 14 8.290 -11.217 11.784 1.00 1.00 S ATOM 0 H CYS A 14 6.349 -8.594 11.111 1.00 1.00 H new ATOM 0 HA CYS A 14 6.120 -10.355 13.322 1.00 1.00 H new ATOM 0 HB2 CYS A 14 8.330 -8.828 12.002 1.00 1.00 H new ATOM 0 HB3 CYS A 14 8.608 -9.615 13.542 1.00 1.00 H new ATOM 0 HG CYS A 14 8.785 -12.081 12.620 1.00 1.00 H new ATOM 224 N PHE A 15 6.442 -7.121 13.949 1.00 1.00 N ATOM 225 CA PHE A 15 6.343 -6.113 14.991 1.00 1.00 C ATOM 226 C PHE A 15 4.881 -5.972 15.419 1.00 1.00 C ATOM 227 O PHE A 15 4.613 -5.210 16.360 1.00 1.00 O ATOM 228 CB PHE A 15 6.888 -4.775 14.457 1.00 1.00 C ATOM 229 CG PHE A 15 8.196 -4.885 13.685 1.00 1.00 C ATOM 230 CD1 PHE A 15 9.304 -5.559 14.249 1.00 1.00 C ATOM 231 CD2 PHE A 15 8.311 -4.306 12.399 1.00 1.00 C ATOM 232 CE1 PHE A 15 10.516 -5.655 13.532 1.00 1.00 C ATOM 233 CE2 PHE A 15 9.523 -4.403 11.683 1.00 1.00 C ATOM 234 CZ PHE A 15 10.626 -5.078 12.249 1.00 1.00 C ATOM 0 H PHE A 15 6.525 -6.741 13.006 1.00 1.00 H new ATOM 0 HA PHE A 15 6.933 -6.409 15.858 1.00 1.00 H new ATOM 0 HB2 PHE A 15 6.136 -4.324 13.809 1.00 1.00 H new ATOM 0 HB3 PHE A 15 7.033 -4.096 15.297 1.00 1.00 H new ATOM 0 HD1 PHE A 15 9.223 -6.001 15.231 1.00 1.00 H new ATOM 0 HD2 PHE A 15 7.469 -3.788 11.964 1.00 1.00 H new ATOM 0 HE1 PHE A 15 11.360 -6.171 13.966 1.00 1.00 H new ATOM 0 HE2 PHE A 15 9.607 -3.961 10.701 1.00 1.00 H new ATOM 0 HZ PHE A 15 11.553 -5.153 11.701 1.00 1.00 H new ATOM 244 N LEU A 16 3.979 -6.696 14.733 1.00 1.00 N ATOM 245 CA LEU A 16 2.560 -6.652 15.040 1.00 1.00 C ATOM 246 C LEU A 16 2.301 -7.408 16.345 1.00 1.00 C ATOM 247 O LEU A 16 2.835 -8.516 16.500 1.00 1.00 O ATOM 248 CB LEU A 16 1.739 -7.168 13.857 1.00 1.00 C ATOM 249 CG LEU A 16 0.481 -6.366 13.513 1.00 1.00 C ATOM 250 CD1 LEU A 16 0.320 -6.222 11.998 1.00 1.00 C ATOM 251 CD2 LEU A 16 -0.757 -6.983 14.165 1.00 1.00 C ATOM 0 H LEU A 16 4.221 -7.318 13.961 1.00 1.00 H new ATOM 0 HA LEU A 16 2.236 -5.623 15.198 1.00 1.00 H new ATOM 0 HB2 LEU A 16 2.382 -7.193 12.977 1.00 1.00 H new ATOM 0 HB3 LEU A 16 1.445 -8.197 14.066 1.00 1.00 H new ATOM 0 HG LEU A 16 0.593 -5.362 13.922 1.00 1.00 H new ATOM 0 HD11 LEU A 16 -0.581 -5.648 11.781 1.00 1.00 H new ATOM 0 HD12 LEU A 16 1.187 -5.705 11.587 1.00 1.00 H new ATOM 0 HD13 LEU A 16 0.239 -7.210 11.545 1.00 1.00 H new ATOM 0 HD21 LEU A 16 -1.637 -6.394 13.905 1.00 1.00 H new ATOM 0 HD22 LEU A 16 -0.885 -8.005 13.808 1.00 1.00 H new ATOM 0 HD23 LEU A 16 -0.633 -6.990 15.248 1.00 1.00 H new ATOM 263 N GLU A 17 1.500 -6.806 17.242 1.00 1.00 N ATOM 264 CA GLU A 17 1.175 -7.418 18.518 1.00 1.00 C ATOM 265 C GLU A 17 0.777 -8.878 18.292 1.00 1.00 C ATOM 266 O GLU A 17 0.398 -9.217 17.162 1.00 1.00 O ATOM 267 CB GLU A 17 0.066 -6.653 19.243 1.00 1.00 C ATOM 268 CG GLU A 17 -0.945 -6.080 18.248 1.00 1.00 C ATOM 269 CD GLU A 17 -0.684 -4.594 17.995 1.00 1.00 C ATOM 270 OE1 GLU A 17 -0.231 -3.940 19.010 1.00 1.00 O ATOM 271 OE2 GLU A 17 -0.910 -4.106 16.878 1.00 1.00 O ATOM 0 H GLU A 17 1.070 -5.893 17.095 1.00 1.00 H new ATOM 0 HA GLU A 17 2.057 -7.380 19.158 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -0.442 -7.318 19.942 1.00 1.00 H new ATOM 0 HB3 GLU A 17 0.501 -5.845 19.831 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -0.886 -6.628 17.308 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -1.956 -6.215 18.633 1.00 1.00 H new ATOM 278 N GLU A 18 0.868 -9.699 19.354 1.00 1.00 N ATOM 279 CA GLU A 18 0.519 -11.107 19.271 1.00 1.00 C ATOM 280 C GLU A 18 -0.995 -11.244 19.099 1.00 1.00 C ATOM 281 O GLU A 18 -1.731 -10.462 19.719 1.00 1.00 O ATOM 282 CB GLU A 18 1.004 -11.880 20.499 1.00 1.00 C ATOM 283 CG GLU A 18 -0.037 -11.837 21.620 1.00 1.00 C ATOM 284 CD GLU A 18 0.635 -11.875 22.994 1.00 1.00 C ATOM 285 OE1 GLU A 18 1.451 -10.996 23.309 1.00 1.00 O ATOM 286 OE2 GLU A 18 0.282 -12.861 23.746 1.00 1.00 O ATOM 0 H GLU A 18 1.182 -9.399 20.277 1.00 1.00 H new ATOM 0 HA GLU A 18 1.020 -11.540 18.405 1.00 1.00 H new ATOM 0 HB2 GLU A 18 1.206 -12.915 20.225 1.00 1.00 H new ATOM 0 HB3 GLU A 18 1.943 -11.455 20.853 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -0.637 -10.931 21.530 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -0.718 -12.682 21.521 1.00 1.00 H new ATOM 293 N ASP A 19 -1.422 -12.218 18.276 1.00 1.00 N ATOM 294 CA ASP A 19 -2.835 -12.452 18.028 1.00 1.00 C ATOM 295 C ASP A 19 -3.093 -13.959 17.958 1.00 1.00 C ATOM 296 O ASP A 19 -2.738 -14.571 16.941 1.00 1.00 O ATOM 297 CB ASP A 19 -3.270 -11.836 16.698 1.00 1.00 C ATOM 298 CG ASP A 19 -4.755 -11.479 16.605 1.00 1.00 C ATOM 299 OD1 ASP A 19 -5.566 -12.444 16.881 1.00 1.00 O ATOM 300 OD2 ASP A 19 -5.119 -10.337 16.287 1.00 1.00 O ATOM 0 H ASP A 19 -0.798 -12.851 17.775 1.00 1.00 H new ATOM 0 HA ASP A 19 -3.400 -11.994 18.839 1.00 1.00 H new ATOM 0 HB2 ASP A 19 -2.683 -10.934 16.524 1.00 1.00 H new ATOM 0 HB3 ASP A 19 -3.029 -12.533 15.896 1.00 1.00 H new ATOM 305 N PRO A 20 -3.695 -14.517 19.024 1.00 1.00 N ATOM 306 CA PRO A 20 -4.012 -15.932 19.117 1.00 1.00 C ATOM 307 C PRO A 20 -5.237 -16.276 18.267 1.00 1.00 C ATOM 308 O PRO A 20 -5.188 -17.281 17.542 1.00 1.00 O ATOM 309 CB PRO A 20 -4.225 -16.191 20.599 1.00 1.00 C ATOM 310 CG PRO A 20 -4.478 -14.830 21.228 1.00 1.00 C ATOM 311 CD PRO A 20 -4.074 -13.768 20.219 1.00 1.00 C ATOM 0 HA PRO A 20 -3.218 -16.568 18.726 1.00 1.00 H new ATOM 0 HB2 PRO A 20 -5.071 -16.859 20.761 1.00 1.00 H new ATOM 0 HB3 PRO A 20 -3.351 -16.669 21.041 1.00 1.00 H new ATOM 0 HG2 PRO A 20 -5.529 -14.722 21.495 1.00 1.00 H new ATOM 0 HG3 PRO A 20 -3.903 -14.722 22.147 1.00 1.00 H new ATOM 0 HD2 PRO A 20 -4.897 -13.084 20.013 1.00 1.00 H new ATOM 0 HD3 PRO A 20 -3.244 -13.166 20.589 1.00 1.00 H new ATOM 319 N GLY A 21 -6.293 -15.451 18.372 1.00 1.00 N ATOM 320 CA GLY A 21 -7.517 -15.668 17.618 1.00 1.00 C ATOM 321 C GLY A 21 -8.712 -15.627 18.573 1.00 1.00 C ATOM 322 O GLY A 21 -8.625 -14.934 19.597 1.00 1.00 O ATOM 0 H GLY A 21 -6.313 -14.629 18.976 1.00 1.00 H new ATOM 0 HA2 GLY A 21 -7.625 -14.903 16.849 1.00 1.00 H new ATOM 0 HA3 GLY A 21 -7.478 -16.630 17.107 1.00 1.00 H new ATOM 326 N ILE A 22 -9.787 -16.356 18.223 1.00 1.00 N ATOM 327 CA ILE A 22 -10.986 -16.402 19.043 1.00 1.00 C ATOM 328 C ILE A 22 -10.996 -17.701 19.851 1.00 1.00 C ATOM 329 O ILE A 22 -11.055 -17.626 21.088 1.00 1.00 O ATOM 330 CB ILE A 22 -12.233 -16.205 18.180 1.00 1.00 C ATOM 331 CG1 ILE A 22 -11.882 -15.521 16.857 1.00 1.00 C ATOM 332 CG2 ILE A 22 -13.317 -15.446 18.947 1.00 1.00 C ATOM 333 CD1 ILE A 22 -13.112 -14.849 16.243 1.00 1.00 C ATOM 0 H ILE A 22 -9.839 -16.919 17.374 1.00 1.00 H new ATOM 0 HA ILE A 22 -10.990 -15.580 19.759 1.00 1.00 H new ATOM 0 HB ILE A 22 -12.638 -17.187 17.937 1.00 1.00 H new ATOM 0 HG12 ILE A 22 -11.102 -14.778 17.024 1.00 1.00 H new ATOM 0 HG13 ILE A 22 -11.478 -16.255 16.160 1.00 1.00 H new ATOM 0 HG21 ILE A 22 -14.193 -15.320 18.310 1.00 1.00 H new ATOM 0 HG22 ILE A 22 -13.595 -16.009 19.838 1.00 1.00 H new ATOM 0 HG23 ILE A 22 -12.937 -14.467 19.240 1.00 1.00 H new ATOM 0 HD11 ILE A 22 -12.834 -14.371 15.304 1.00 1.00 H new ATOM 0 HD12 ILE A 22 -13.880 -15.599 16.055 1.00 1.00 H new ATOM 0 HD13 ILE A 22 -13.498 -14.098 16.932 1.00 1.00 H new ATOM 345 N CYS A 23 -10.939 -18.847 19.150 1.00 1.00 N ATOM 346 CA CYS A 23 -10.942 -20.148 19.798 1.00 1.00 C ATOM 347 C CYS A 23 -9.740 -20.247 20.739 1.00 1.00 C ATOM 348 O CYS A 23 -8.609 -20.353 20.241 1.00 1.00 O ATOM 349 CB CYS A 23 -10.955 -21.278 18.767 1.00 1.00 C ATOM 350 SG CYS A 23 -9.896 -20.999 17.317 1.00 1.00 S ATOM 0 H CYS A 23 -10.890 -18.887 18.132 1.00 1.00 H new ATOM 0 HA CYS A 23 -11.852 -20.255 20.388 1.00 1.00 H new ATOM 0 HB2 CYS A 23 -10.642 -22.201 19.256 1.00 1.00 H new ATOM 0 HB3 CYS A 23 -11.980 -21.429 18.427 1.00 1.00 H new ATOM 0 HG CYS A 23 -9.983 -22.018 16.514 1.00 1.00 H new ATOM 356 N ARG A 24 -10.002 -20.210 22.057 1.00 1.00 N ATOM 357 CA ARG A 24 -8.948 -20.295 23.054 1.00 1.00 C ATOM 358 C ARG A 24 -8.387 -21.719 23.077 1.00 1.00 C ATOM 359 O ARG A 24 -8.487 -22.375 24.124 1.00 1.00 O ATOM 360 CB ARG A 24 -9.462 -19.935 24.450 1.00 1.00 C ATOM 361 CG ARG A 24 -10.564 -18.877 24.372 1.00 1.00 C ATOM 362 CD ARG A 24 -10.458 -17.888 25.535 1.00 1.00 C ATOM 363 NE ARG A 24 -9.478 -16.828 25.211 1.00 1.00 N ATOM 364 CZ ARG A 24 -9.402 -15.645 25.855 1.00 1.00 C ATOM 365 NH1 ARG A 24 -10.258 -15.393 26.855 1.00 1.00 N ATOM 366 NH2 ARG A 24 -8.483 -14.735 25.502 1.00 1.00 N ATOM 0 H ARG A 24 -10.941 -20.121 22.446 1.00 1.00 H new ATOM 0 HA ARG A 24 -8.170 -19.581 22.784 1.00 1.00 H new ATOM 0 HB2 ARG A 24 -9.845 -20.829 24.942 1.00 1.00 H new ATOM 0 HB3 ARG A 24 -8.639 -19.563 25.060 1.00 1.00 H new ATOM 0 HG2 ARG A 24 -10.492 -18.340 23.426 1.00 1.00 H new ATOM 0 HG3 ARG A 24 -11.540 -19.362 24.390 1.00 1.00 H new ATOM 0 HD2 ARG A 24 -11.433 -17.444 25.735 1.00 1.00 H new ATOM 0 HD3 ARG A 24 -10.154 -18.411 26.441 1.00 1.00 H new ATOM 0 HE ARG A 24 -8.818 -17.003 24.453 1.00 1.00 H new ATOM 0 HH11 ARG A 24 -10.954 -16.091 27.119 1.00 1.00 H new ATOM 0 HH12 ARG A 24 -10.214 -14.503 27.352 1.00 1.00 H new ATOM 0 HH21 ARG A 24 -7.834 -14.934 24.741 1.00 1.00 H new ATOM 0 HH22 ARG A 24 -8.433 -13.843 25.995 1.00 1.00 H new ATOM 380 N GLY A 25 -7.817 -22.159 21.941 1.00 1.00 N ATOM 381 CA GLY A 25 -7.246 -23.491 21.833 1.00 1.00 C ATOM 382 C GLY A 25 -5.872 -23.509 22.504 1.00 1.00 C ATOM 383 O GLY A 25 -5.577 -24.479 23.219 1.00 1.00 O ATOM 0 H GLY A 25 -7.745 -21.602 21.090 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -7.904 -24.220 22.306 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -7.155 -23.776 20.785 1.00 1.00 H new ATOM 387 N TYR A 26 -5.071 -22.455 22.266 1.00 1.00 N ATOM 388 CA TYR A 26 -3.751 -22.413 22.871 1.00 1.00 C ATOM 389 C TYR A 26 -2.901 -23.554 22.308 1.00 1.00 C ATOM 390 O TYR A 26 -3.347 -24.708 22.389 1.00 1.00 O ATOM 391 CB TYR A 26 -3.876 -22.494 24.403 1.00 1.00 C ATOM 392 CG TYR A 26 -4.688 -21.369 25.031 1.00 1.00 C ATOM 393 CD1 TYR A 26 -5.057 -20.246 24.255 1.00 1.00 C ATOM 394 CD2 TYR A 26 -5.082 -21.441 26.387 1.00 1.00 C ATOM 395 CE1 TYR A 26 -5.812 -19.202 24.831 1.00 1.00 C ATOM 396 CE2 TYR A 26 -5.836 -20.397 26.963 1.00 1.00 C ATOM 397 CZ TYR A 26 -6.201 -19.276 26.186 1.00 1.00 C ATOM 398 OH TYR A 26 -6.931 -18.263 26.740 1.00 1.00 O ATOM 0 H TYR A 26 -5.312 -21.655 21.681 1.00 1.00 H new ATOM 0 HA TYR A 26 -3.257 -21.472 22.631 1.00 1.00 H new ATOM 0 HB2 TYR A 26 -4.334 -23.447 24.668 1.00 1.00 H new ATOM 0 HB3 TYR A 26 -2.876 -22.489 24.837 1.00 1.00 H new ATOM 0 HD1 TYR A 26 -4.760 -20.187 23.218 1.00 1.00 H new ATOM 0 HD2 TYR A 26 -4.805 -22.298 26.983 1.00 1.00 H new ATOM 0 HE1 TYR A 26 -6.092 -18.346 24.235 1.00 1.00 H new ATOM 0 HE2 TYR A 26 -6.134 -20.455 27.999 1.00 1.00 H new ATOM 0 HH TYR A 26 -7.117 -18.470 27.680 1.00 1.00 H new ATOM 408 N ILE A 27 -1.723 -23.220 21.752 1.00 1.00 N ATOM 409 CA ILE A 27 -0.834 -24.214 21.174 1.00 1.00 C ATOM 410 C ILE A 27 0.617 -23.783 21.393 1.00 1.00 C ATOM 411 O ILE A 27 1.490 -24.249 20.646 1.00 1.00 O ATOM 412 CB ILE A 27 -1.188 -24.459 19.706 1.00 1.00 C ATOM 413 CG1 ILE A 27 -2.704 -24.462 19.500 1.00 1.00 C ATOM 414 CG2 ILE A 27 -0.538 -25.746 19.193 1.00 1.00 C ATOM 415 CD1 ILE A 27 -3.055 -24.532 18.012 1.00 1.00 C ATOM 0 H ILE A 27 -1.374 -22.263 21.696 1.00 1.00 H new ATOM 0 HA ILE A 27 -0.960 -25.175 21.673 1.00 1.00 H new ATOM 0 HB ILE A 27 -0.785 -23.636 19.116 1.00 1.00 H new ATOM 0 HG12 ILE A 27 -3.144 -25.312 20.021 1.00 1.00 H new ATOM 0 HG13 ILE A 27 -3.136 -23.562 19.937 1.00 1.00 H new ATOM 0 HG21 ILE A 27 -0.805 -25.897 18.147 1.00 1.00 H new ATOM 0 HG22 ILE A 27 0.545 -25.667 19.283 1.00 1.00 H new ATOM 0 HG23 ILE A 27 -0.890 -26.592 19.783 1.00 1.00 H new ATOM 0 HD11 ILE A 27 -4.139 -24.533 17.893 1.00 1.00 H new ATOM 0 HD12 ILE A 27 -2.634 -23.668 17.498 1.00 1.00 H new ATOM 0 HD13 ILE A 27 -2.642 -25.445 17.583 1.00 1.00 H new ATOM 427 N THR A 28 0.843 -22.916 22.396 1.00 1.00 N ATOM 428 CA THR A 28 2.177 -22.430 22.708 1.00 1.00 C ATOM 429 C THR A 28 2.878 -22.012 21.414 1.00 1.00 C ATOM 430 O THR A 28 3.732 -22.772 20.934 1.00 1.00 O ATOM 431 CB THR A 28 2.925 -23.517 23.481 1.00 1.00 C ATOM 432 OG1 THR A 28 2.178 -23.664 24.685 1.00 1.00 O ATOM 433 CG2 THR A 28 4.305 -23.055 23.953 1.00 1.00 C ATOM 0 H THR A 28 0.110 -22.543 22.999 1.00 1.00 H new ATOM 0 HA THR A 28 2.143 -21.545 23.344 1.00 1.00 H new ATOM 0 HB THR A 28 3.033 -24.400 22.852 1.00 1.00 H new ATOM 0 HG1 THR A 28 2.593 -24.352 25.246 1.00 1.00 H new ATOM 0 HG21 THR A 28 4.793 -23.864 24.496 1.00 1.00 H new ATOM 0 HG22 THR A 28 4.911 -22.779 23.090 1.00 1.00 H new ATOM 0 HG23 THR A 28 4.195 -22.192 24.610 1.00 1.00 H new ATOM 441 N ARG A 29 2.510 -20.832 20.883 1.00 1.00 N ATOM 442 CA ARG A 29 3.099 -20.322 19.657 1.00 1.00 C ATOM 443 C ARG A 29 4.136 -19.250 20.002 1.00 1.00 C ATOM 444 O ARG A 29 4.340 -18.991 21.197 1.00 1.00 O ATOM 445 CB ARG A 29 2.041 -19.719 18.731 1.00 1.00 C ATOM 446 CG ARG A 29 1.144 -20.808 18.141 1.00 1.00 C ATOM 447 CD ARG A 29 1.950 -21.766 17.261 1.00 1.00 C ATOM 448 NE ARG A 29 1.042 -22.726 16.594 1.00 1.00 N ATOM 449 CZ ARG A 29 1.053 -24.057 16.816 1.00 1.00 C ATOM 450 NH1 ARG A 29 1.932 -24.563 17.691 1.00 1.00 N ATOM 451 NH2 ARG A 29 0.197 -24.861 16.170 1.00 1.00 N ATOM 0 H ARG A 29 1.804 -20.221 21.294 1.00 1.00 H new ATOM 0 HA ARG A 29 3.570 -21.156 19.136 1.00 1.00 H new ATOM 0 HB2 ARG A 29 1.434 -19.003 19.285 1.00 1.00 H new ATOM 0 HB3 ARG A 29 2.528 -19.169 17.926 1.00 1.00 H new ATOM 0 HG2 ARG A 29 0.664 -21.365 18.946 1.00 1.00 H new ATOM 0 HG3 ARG A 29 0.349 -20.350 17.553 1.00 1.00 H new ATOM 0 HD2 ARG A 29 2.510 -21.203 16.514 1.00 1.00 H new ATOM 0 HD3 ARG A 29 2.679 -22.303 17.867 1.00 1.00 H new ATOM 0 HE ARG A 29 0.366 -22.358 15.925 1.00 1.00 H new ATOM 0 HH11 ARG A 29 2.580 -23.944 18.178 1.00 1.00 H new ATOM 0 HH12 ARG A 29 1.953 -25.567 17.870 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -0.469 -24.468 15.505 1.00 1.00 H new ATOM 0 HH22 ARG A 29 0.212 -25.866 16.343 1.00 1.00 H new ATOM 465 N TYR A 30 4.759 -18.660 18.967 1.00 1.00 N ATOM 466 CA TYR A 30 5.757 -17.637 19.228 1.00 1.00 C ATOM 467 C TYR A 30 5.461 -16.409 18.364 1.00 1.00 C ATOM 468 O TYR A 30 4.801 -16.571 17.328 1.00 1.00 O ATOM 469 CB TYR A 30 7.165 -18.201 18.959 1.00 1.00 C ATOM 470 CG TYR A 30 7.532 -19.411 19.807 1.00 1.00 C ATOM 471 CD1 TYR A 30 6.862 -20.642 19.625 1.00 1.00 C ATOM 472 CD2 TYR A 30 8.545 -19.305 20.788 1.00 1.00 C ATOM 473 CE1 TYR A 30 7.205 -21.760 20.416 1.00 1.00 C ATOM 474 CE2 TYR A 30 8.887 -20.423 21.579 1.00 1.00 C ATOM 475 CZ TYR A 30 8.218 -21.651 21.393 1.00 1.00 C ATOM 476 OH TYR A 30 8.554 -22.731 22.159 1.00 1.00 O ATOM 0 H TYR A 30 4.591 -18.870 17.983 1.00 1.00 H new ATOM 0 HA TYR A 30 5.719 -17.332 20.274 1.00 1.00 H new ATOM 0 HB2 TYR A 30 7.238 -18.475 17.907 1.00 1.00 H new ATOM 0 HB3 TYR A 30 7.898 -17.414 19.135 1.00 1.00 H new ATOM 0 HD1 TYR A 30 6.086 -20.728 18.879 1.00 1.00 H new ATOM 0 HD2 TYR A 30 9.058 -18.366 20.932 1.00 1.00 H new ATOM 0 HE1 TYR A 30 6.692 -22.700 20.273 1.00 1.00 H new ATOM 0 HE2 TYR A 30 9.661 -20.338 22.327 1.00 1.00 H new ATOM 0 HH TYR A 30 9.482 -22.642 22.460 1.00 1.00 H new ATOM 486 N PHE A 31 5.934 -15.228 18.801 1.00 1.00 N ATOM 487 CA PHE A 31 5.707 -13.991 18.072 1.00 1.00 C ATOM 488 C PHE A 31 6.808 -12.989 18.423 1.00 1.00 C ATOM 489 O PHE A 31 7.310 -13.036 19.556 1.00 1.00 O ATOM 490 CB PHE A 31 4.320 -13.432 18.442 1.00 1.00 C ATOM 491 CG PHE A 31 4.275 -12.663 19.756 1.00 1.00 C ATOM 492 CD1 PHE A 31 4.405 -13.351 20.984 1.00 1.00 C ATOM 493 CD2 PHE A 31 4.109 -11.258 19.756 1.00 1.00 C ATOM 494 CE1 PHE A 31 4.368 -12.640 22.203 1.00 1.00 C ATOM 495 CE2 PHE A 31 4.072 -10.548 20.975 1.00 1.00 C ATOM 496 CZ PHE A 31 4.201 -11.239 22.199 1.00 1.00 C ATOM 0 H PHE A 31 6.475 -15.116 19.658 1.00 1.00 H new ATOM 0 HA PHE A 31 5.734 -14.176 16.998 1.00 1.00 H new ATOM 0 HB2 PHE A 31 3.982 -12.775 17.640 1.00 1.00 H new ATOM 0 HB3 PHE A 31 3.612 -14.259 18.496 1.00 1.00 H new ATOM 0 HD1 PHE A 31 4.533 -14.423 20.990 1.00 1.00 H new ATOM 0 HD2 PHE A 31 4.010 -10.727 18.821 1.00 1.00 H new ATOM 0 HE1 PHE A 31 4.468 -13.169 23.139 1.00 1.00 H new ATOM 0 HE2 PHE A 31 3.945 -9.476 20.971 1.00 1.00 H new ATOM 0 HZ PHE A 31 4.172 -10.696 23.132 1.00 1.00 H new ATOM 506 N TYR A 32 7.156 -12.115 17.462 1.00 1.00 N ATOM 507 CA TYR A 32 8.199 -11.140 17.730 1.00 1.00 C ATOM 508 C TYR A 32 7.605 -9.967 18.513 1.00 1.00 C ATOM 509 O TYR A 32 6.976 -9.104 17.882 1.00 1.00 O ATOM 510 CB TYR A 32 8.838 -10.680 16.407 1.00 1.00 C ATOM 511 CG TYR A 32 10.144 -9.915 16.568 1.00 1.00 C ATOM 512 CD1 TYR A 32 10.121 -8.524 16.823 1.00 1.00 C ATOM 513 CD2 TYR A 32 11.384 -10.587 16.470 1.00 1.00 C ATOM 514 CE1 TYR A 32 11.328 -7.811 16.976 1.00 1.00 C ATOM 515 CE2 TYR A 32 12.592 -9.873 16.624 1.00 1.00 C ATOM 516 CZ TYR A 32 12.565 -8.484 16.876 1.00 1.00 C ATOM 517 OH TYR A 32 13.732 -7.789 17.024 1.00 1.00 O ATOM 0 H TYR A 32 6.742 -12.071 16.531 1.00 1.00 H new ATOM 0 HA TYR A 32 8.986 -11.589 18.336 1.00 1.00 H new ATOM 0 HB2 TYR A 32 9.019 -11.555 15.782 1.00 1.00 H new ATOM 0 HB3 TYR A 32 8.126 -10.050 15.874 1.00 1.00 H new ATOM 0 HD1 TYR A 32 9.176 -8.006 16.901 1.00 1.00 H new ATOM 0 HD2 TYR A 32 11.407 -11.649 16.277 1.00 1.00 H new ATOM 0 HE1 TYR A 32 11.306 -6.749 17.170 1.00 1.00 H new ATOM 0 HE2 TYR A 32 13.537 -10.390 16.549 1.00 1.00 H new ATOM 0 HH TYR A 32 14.110 -7.970 17.910 1.00 1.00 H new ATOM 527 N ASN A 33 7.800 -9.960 19.844 1.00 1.00 N ATOM 528 CA ASN A 33 7.274 -8.906 20.694 1.00 1.00 C ATOM 529 C ASN A 33 8.287 -7.762 20.766 1.00 1.00 C ATOM 530 O ASN A 33 9.451 -8.025 21.103 1.00 1.00 O ATOM 531 CB ASN A 33 7.034 -9.414 22.117 1.00 1.00 C ATOM 532 CG ASN A 33 5.961 -8.582 22.823 1.00 1.00 C ATOM 533 OD1 ASN A 33 5.473 -7.588 22.311 1.00 1.00 O ATOM 534 ND2 ASN A 33 5.622 -9.042 24.024 1.00 1.00 N ATOM 0 H ASN A 33 8.321 -10.680 20.344 1.00 1.00 H new ATOM 0 HA ASN A 33 6.329 -8.569 20.267 1.00 1.00 H new ATOM 0 HB2 ASN A 33 6.727 -10.459 22.087 1.00 1.00 H new ATOM 0 HB3 ASN A 33 7.964 -9.371 22.684 1.00 1.00 H new ATOM 0 HD21 ASN A 33 4.914 -8.556 24.575 1.00 1.00 H new ATOM 0 HD22 ASN A 33 6.070 -9.880 24.394 1.00 1.00 H new ATOM 541 N ASN A 34 7.833 -6.535 20.452 1.00 1.00 N ATOM 542 CA ASN A 34 8.694 -5.365 20.481 1.00 1.00 C ATOM 543 C ASN A 34 9.066 -5.046 21.931 1.00 1.00 C ATOM 544 O ASN A 34 10.106 -4.406 22.146 1.00 1.00 O ATOM 545 CB ASN A 34 7.982 -4.143 19.896 1.00 1.00 C ATOM 546 CG ASN A 34 6.946 -3.590 20.876 1.00 1.00 C ATOM 547 OD1 ASN A 34 5.945 -4.217 21.181 1.00 1.00 O ATOM 548 ND2 ASN A 34 7.241 -2.384 21.352 1.00 1.00 N ATOM 0 H ASN A 34 6.871 -6.340 20.176 1.00 1.00 H new ATOM 0 HA ASN A 34 9.581 -5.585 19.887 1.00 1.00 H new ATOM 0 HB2 ASN A 34 8.713 -3.370 19.660 1.00 1.00 H new ATOM 0 HB3 ASN A 34 7.493 -4.416 18.961 1.00 1.00 H new ATOM 0 HD21 ASN A 34 6.612 -1.929 22.014 1.00 1.00 H new ATOM 0 HD22 ASN A 34 8.096 -1.914 21.055 1.00 1.00 H new ATOM 555 N GLN A 35 8.223 -5.490 22.880 1.00 1.00 N ATOM 556 CA GLN A 35 8.462 -5.254 24.294 1.00 1.00 C ATOM 557 C GLN A 35 9.872 -5.724 24.654 1.00 1.00 C ATOM 558 O GLN A 35 10.517 -5.071 25.487 1.00 1.00 O ATOM 559 CB GLN A 35 7.413 -5.949 25.165 1.00 1.00 C ATOM 560 CG GLN A 35 7.093 -5.115 26.407 1.00 1.00 C ATOM 561 CD GLN A 35 5.610 -5.219 26.770 1.00 1.00 C ATOM 562 OE1 GLN A 35 4.885 -4.239 26.813 1.00 1.00 O ATOM 563 NE2 GLN A 35 5.201 -6.458 27.027 1.00 1.00 N ATOM 0 H GLN A 35 7.371 -6.014 22.681 1.00 1.00 H new ATOM 0 HA GLN A 35 8.379 -4.185 24.489 1.00 1.00 H new ATOM 0 HB2 GLN A 35 6.503 -6.110 24.586 1.00 1.00 H new ATOM 0 HB3 GLN A 35 7.778 -6.931 25.466 1.00 1.00 H new ATOM 0 HG2 GLN A 35 7.701 -5.456 27.245 1.00 1.00 H new ATOM 0 HG3 GLN A 35 7.355 -4.072 26.227 1.00 1.00 H new ATOM 0 HE21 GLN A 35 5.860 -7.234 26.973 1.00 1.00 H new ATOM 0 HE22 GLN A 35 4.228 -6.632 27.278 1.00 1.00 H new ATOM 572 N THR A 36 10.316 -6.830 24.030 1.00 1.00 N ATOM 573 CA THR A 36 11.637 -7.379 24.283 1.00 1.00 C ATOM 574 C THR A 36 12.392 -7.512 22.959 1.00 1.00 C ATOM 575 O THR A 36 13.353 -8.293 22.904 1.00 1.00 O ATOM 576 CB THR A 36 11.480 -8.706 25.028 1.00 1.00 C ATOM 577 OG1 THR A 36 10.736 -9.523 24.129 1.00 1.00 O ATOM 578 CG2 THR A 36 10.576 -8.584 26.257 1.00 1.00 C ATOM 0 H THR A 36 9.769 -7.354 23.347 1.00 1.00 H new ATOM 0 HA THR A 36 12.231 -6.719 24.916 1.00 1.00 H new ATOM 0 HB THR A 36 12.461 -9.069 25.334 1.00 1.00 H new ATOM 0 HG1 THR A 36 11.346 -10.125 23.653 1.00 1.00 H new ATOM 0 HG21 THR A 36 10.498 -9.553 26.749 1.00 1.00 H new ATOM 0 HG22 THR A 36 11.001 -7.858 26.950 1.00 1.00 H new ATOM 0 HG23 THR A 36 9.584 -8.253 25.948 1.00 1.00 H new ATOM 586 N LYS A 37 11.951 -6.758 21.936 1.00 1.00 N ATOM 587 CA LYS A 37 12.581 -6.792 20.627 1.00 1.00 C ATOM 588 C LYS A 37 13.114 -8.201 20.358 1.00 1.00 C ATOM 589 O LYS A 37 14.309 -8.332 20.059 1.00 1.00 O ATOM 590 CB LYS A 37 13.647 -5.700 20.517 1.00 1.00 C ATOM 591 CG LYS A 37 13.017 -4.309 20.608 1.00 1.00 C ATOM 592 CD LYS A 37 13.526 -3.556 21.839 1.00 1.00 C ATOM 593 CE LYS A 37 14.934 -3.006 21.602 1.00 1.00 C ATOM 594 NZ LYS A 37 14.934 -1.536 21.682 1.00 1.00 N ATOM 0 H LYS A 37 11.158 -6.120 22.003 1.00 1.00 H new ATOM 0 HA LYS A 37 11.851 -6.573 19.848 1.00 1.00 H new ATOM 0 HB2 LYS A 37 14.382 -5.823 21.312 1.00 1.00 H new ATOM 0 HB3 LYS A 37 14.180 -5.801 19.572 1.00 1.00 H new ATOM 0 HG2 LYS A 37 13.250 -3.741 19.708 1.00 1.00 H new ATOM 0 HG3 LYS A 37 11.932 -4.400 20.656 1.00 1.00 H new ATOM 0 HD2 LYS A 37 12.847 -2.737 22.075 1.00 1.00 H new ATOM 0 HD3 LYS A 37 13.533 -4.223 22.701 1.00 1.00 H new ATOM 0 HE2 LYS A 37 15.620 -3.416 22.343 1.00 1.00 H new ATOM 0 HE3 LYS A 37 15.295 -3.323 20.623 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 15.897 -1.179 21.519 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 14.294 -1.149 20.959 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 14.610 -1.240 22.625 1.00 1.00 H new ATOM 608 N GLN A 38 12.231 -9.210 20.469 1.00 1.00 N ATOM 609 CA GLN A 38 12.611 -10.594 20.240 1.00 1.00 C ATOM 610 C GLN A 38 11.350 -11.457 20.156 1.00 1.00 C ATOM 611 O GLN A 38 10.249 -10.907 20.302 1.00 1.00 O ATOM 612 CB GLN A 38 13.554 -11.106 21.330 1.00 1.00 C ATOM 613 CG GLN A 38 14.957 -11.352 20.771 1.00 1.00 C ATOM 614 CD GLN A 38 15.992 -11.413 21.895 1.00 1.00 C ATOM 615 OE1 GLN A 38 15.991 -12.305 22.728 1.00 1.00 O ATOM 616 NE2 GLN A 38 16.874 -10.418 21.873 1.00 1.00 N ATOM 0 H GLN A 38 11.250 -9.080 20.717 1.00 1.00 H new ATOM 0 HA GLN A 38 13.154 -10.656 19.297 1.00 1.00 H new ATOM 0 HB2 GLN A 38 13.604 -10.381 22.142 1.00 1.00 H new ATOM 0 HB3 GLN A 38 13.160 -12.030 21.752 1.00 1.00 H new ATOM 0 HG2 GLN A 38 14.970 -12.286 20.209 1.00 1.00 H new ATOM 0 HG3 GLN A 38 15.219 -10.557 20.073 1.00 1.00 H new ATOM 0 HE21 GLN A 38 16.818 -9.703 21.147 1.00 1.00 H new ATOM 0 HE22 GLN A 38 17.606 -10.370 22.582 1.00 1.00 H new ATOM 625 N CYS A 39 11.533 -12.769 19.926 1.00 1.00 N ATOM 626 CA CYS A 39 10.418 -13.696 19.824 1.00 1.00 C ATOM 627 C CYS A 39 10.023 -14.167 21.225 1.00 1.00 C ATOM 628 O CYS A 39 10.882 -14.722 21.925 1.00 1.00 O ATOM 629 CB CYS A 39 10.758 -14.869 18.903 1.00 1.00 C ATOM 630 SG CYS A 39 10.873 -14.445 17.139 1.00 1.00 S ATOM 0 H CYS A 39 12.449 -13.202 19.809 1.00 1.00 H new ATOM 0 HA CYS A 39 9.565 -13.186 19.376 1.00 1.00 H new ATOM 0 HB2 CYS A 39 11.708 -15.299 19.221 1.00 1.00 H new ATOM 0 HB3 CYS A 39 10.000 -15.642 19.028 1.00 1.00 H new ATOM 0 HG CYS A 39 9.693 -14.516 16.598 1.00 1.00 H new ATOM 636 N GLU A 40 8.751 -13.939 21.600 1.00 1.00 N ATOM 637 CA GLU A 40 8.250 -14.338 22.904 1.00 1.00 C ATOM 638 C GLU A 40 7.200 -15.436 22.729 1.00 1.00 C ATOM 639 O GLU A 40 6.464 -15.395 21.732 1.00 1.00 O ATOM 640 CB GLU A 40 7.675 -13.146 23.673 1.00 1.00 C ATOM 641 CG GLU A 40 8.518 -11.889 23.447 1.00 1.00 C ATOM 642 CD GLU A 40 9.936 -12.076 23.989 1.00 1.00 C ATOM 643 OE1 GLU A 40 10.005 -12.559 25.183 1.00 1.00 O ATOM 644 OE2 GLU A 40 10.913 -11.768 23.289 1.00 1.00 O ATOM 0 H GLU A 40 8.059 -13.479 21.008 1.00 1.00 H new ATOM 0 HA GLU A 40 9.080 -14.726 23.494 1.00 1.00 H new ATOM 0 HB2 GLU A 40 6.649 -12.963 23.353 1.00 1.00 H new ATOM 0 HB3 GLU A 40 7.640 -13.378 24.737 1.00 1.00 H new ATOM 0 HG2 GLU A 40 8.559 -11.661 22.382 1.00 1.00 H new ATOM 0 HG3 GLU A 40 8.047 -11.037 23.938 1.00 1.00 H new ATOM 651 N ARG A 41 7.150 -16.381 23.685 1.00 1.00 N ATOM 652 CA ARG A 41 6.198 -17.477 23.636 1.00 1.00 C ATOM 653 C ARG A 41 4.821 -16.971 24.069 1.00 1.00 C ATOM 654 O ARG A 41 4.675 -16.587 25.239 1.00 1.00 O ATOM 655 CB ARG A 41 6.620 -18.631 24.548 1.00 1.00 C ATOM 656 CG ARG A 41 6.859 -19.909 23.740 1.00 1.00 C ATOM 657 CD ARG A 41 7.848 -20.832 24.455 1.00 1.00 C ATOM 658 NE ARG A 41 7.124 -21.954 25.092 1.00 1.00 N ATOM 659 CZ ARG A 41 7.712 -23.095 25.508 1.00 1.00 C ATOM 660 NH1 ARG A 41 9.033 -23.243 25.343 1.00 1.00 N ATOM 661 NH2 ARG A 41 6.985 -24.066 26.078 1.00 1.00 N ATOM 0 H ARG A 41 7.765 -16.397 24.499 1.00 1.00 H new ATOM 0 HA ARG A 41 6.163 -17.849 22.612 1.00 1.00 H new ATOM 0 HB2 ARG A 41 7.529 -18.361 25.085 1.00 1.00 H new ATOM 0 HB3 ARG A 41 5.848 -18.809 25.297 1.00 1.00 H new ATOM 0 HG2 ARG A 41 5.914 -20.430 23.589 1.00 1.00 H new ATOM 0 HG3 ARG A 41 7.243 -19.653 22.753 1.00 1.00 H new ATOM 0 HD2 ARG A 41 8.578 -21.217 23.743 1.00 1.00 H new ATOM 0 HD3 ARG A 41 8.402 -20.272 25.208 1.00 1.00 H new ATOM 0 HE ARG A 41 6.117 -21.859 25.225 1.00 1.00 H new ATOM 0 HH11 ARG A 41 9.579 -22.499 24.908 1.00 1.00 H new ATOM 0 HH12 ARG A 41 9.493 -24.099 25.652 1.00 1.00 H new ATOM 0 HH21 ARG A 41 5.980 -23.945 26.200 1.00 1.00 H new ATOM 0 HH22 ARG A 41 7.437 -24.926 26.390 1.00 1.00 H new ATOM 675 N PHE A 42 3.854 -16.981 23.134 1.00 1.00 N ATOM 676 CA PHE A 42 2.504 -16.526 23.419 1.00 1.00 C ATOM 677 C PHE A 42 1.510 -17.626 23.041 1.00 1.00 C ATOM 678 O PHE A 42 1.814 -18.408 22.128 1.00 1.00 O ATOM 679 CB PHE A 42 2.223 -15.238 22.621 1.00 1.00 C ATOM 680 CG PHE A 42 1.710 -15.467 21.205 1.00 1.00 C ATOM 681 CD1 PHE A 42 2.592 -15.920 20.197 1.00 1.00 C ATOM 682 CD2 PHE A 42 0.351 -15.234 20.891 1.00 1.00 C ATOM 683 CE1 PHE A 42 2.118 -16.138 18.885 1.00 1.00 C ATOM 684 CE2 PHE A 42 -0.122 -15.452 19.579 1.00 1.00 C ATOM 685 CZ PHE A 42 0.762 -15.903 18.576 1.00 1.00 C ATOM 0 H PHE A 42 3.995 -17.302 22.176 1.00 1.00 H new ATOM 0 HA PHE A 42 2.397 -16.309 24.482 1.00 1.00 H new ATOM 0 HB2 PHE A 42 1.492 -14.641 23.166 1.00 1.00 H new ATOM 0 HB3 PHE A 42 3.140 -14.651 22.570 1.00 1.00 H new ATOM 0 HD1 PHE A 42 3.631 -16.100 20.431 1.00 1.00 H new ATOM 0 HD2 PHE A 42 -0.327 -14.888 21.657 1.00 1.00 H new ATOM 0 HE1 PHE A 42 2.794 -16.485 18.118 1.00 1.00 H new ATOM 0 HE2 PHE A 42 -1.161 -15.274 19.343 1.00 1.00 H new ATOM 0 HZ PHE A 42 0.400 -16.068 17.572 1.00 1.00 H new ATOM 695 N LYS A 43 0.360 -17.664 23.738 1.00 1.00 N ATOM 696 CA LYS A 43 -0.666 -18.660 23.477 1.00 1.00 C ATOM 697 C LYS A 43 -1.245 -18.434 22.079 1.00 1.00 C ATOM 698 O LYS A 43 -1.130 -17.311 21.567 1.00 1.00 O ATOM 699 CB LYS A 43 -1.717 -18.648 24.588 1.00 1.00 C ATOM 700 CG LYS A 43 -1.611 -19.902 25.458 1.00 1.00 C ATOM 701 CD LYS A 43 -0.690 -19.663 26.656 1.00 1.00 C ATOM 702 CE LYS A 43 -1.412 -18.879 27.754 1.00 1.00 C ATOM 703 NZ LYS A 43 -0.767 -19.105 29.058 1.00 1.00 N ATOM 0 H LYS A 43 0.128 -17.010 24.486 1.00 1.00 H new ATOM 0 HA LYS A 43 -0.237 -19.662 23.486 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -1.587 -17.760 25.207 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -2.713 -18.588 24.150 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -2.602 -20.190 25.809 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -1.230 -20.731 24.862 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -0.347 -20.619 27.052 1.00 1.00 H new ATOM 0 HD3 LYS A 43 0.196 -19.115 26.335 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -1.402 -17.815 27.516 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -2.457 -19.185 27.801 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -1.269 -18.566 29.792 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -0.799 -20.118 29.290 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 0.223 -18.791 29.015 1.00 1.00 H new ATOM 717 N TYR A 44 -1.847 -19.488 21.500 1.00 1.00 N ATOM 718 CA TYR A 44 -2.414 -19.341 20.170 1.00 1.00 C ATOM 719 C TYR A 44 -3.816 -19.953 20.147 1.00 1.00 C ATOM 720 O TYR A 44 -3.947 -21.124 20.532 1.00 1.00 O ATOM 721 CB TYR A 44 -1.485 -19.996 19.131 1.00 1.00 C ATOM 722 CG TYR A 44 -2.087 -20.124 17.739 1.00 1.00 C ATOM 723 CD1 TYR A 44 -3.000 -19.152 17.271 1.00 1.00 C ATOM 724 CD2 TYR A 44 -1.733 -21.209 16.903 1.00 1.00 C ATOM 725 CE1 TYR A 44 -3.558 -19.264 15.979 1.00 1.00 C ATOM 726 CE2 TYR A 44 -2.290 -21.321 15.612 1.00 1.00 C ATOM 727 CZ TYR A 44 -3.204 -20.349 15.149 1.00 1.00 C ATOM 728 OH TYR A 44 -3.747 -20.455 13.900 1.00 1.00 O ATOM 0 H TYR A 44 -1.946 -20.412 21.921 1.00 1.00 H new ATOM 0 HA TYR A 44 -2.502 -18.285 19.913 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -0.567 -19.412 19.064 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -1.207 -20.988 19.486 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -3.272 -18.320 17.904 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -1.034 -21.954 17.254 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -4.256 -18.519 15.626 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -2.017 -22.151 14.977 1.00 1.00 H new ATOM 0 HH TYR A 44 -3.398 -21.258 13.459 1.00 1.00 H new ATOM 789 N ASN A 50 -3.668 -13.814 13.708 1.00 1.00 N ATOM 790 CA ASN A 50 -3.033 -12.828 12.850 1.00 1.00 C ATOM 791 C ASN A 50 -1.829 -13.464 12.153 1.00 1.00 C ATOM 792 O ASN A 50 -1.820 -14.694 11.997 1.00 1.00 O ATOM 793 CB ASN A 50 -2.532 -11.632 13.663 1.00 1.00 C ATOM 794 CG ASN A 50 -1.245 -11.980 14.413 1.00 1.00 C ATOM 795 OD1 ASN A 50 -0.857 -13.130 14.532 1.00 1.00 O ATOM 796 ND2 ASN A 50 -0.607 -10.924 14.910 1.00 1.00 N ATOM 0 HA ASN A 50 -3.771 -12.487 12.124 1.00 1.00 H new ATOM 0 HB2 ASN A 50 -2.353 -10.786 13.000 1.00 1.00 H new ATOM 0 HB3 ASN A 50 -3.299 -11.323 14.373 1.00 1.00 H new ATOM 0 HD21 ASN A 50 0.263 -11.051 15.427 1.00 1.00 H new ATOM 0 HD22 ASN A 50 -0.988 -9.988 14.774 1.00 1.00 H new ATOM 803 N MET A 51 -0.853 -12.628 11.755 1.00 1.00 N ATOM 804 CA MET A 51 0.342 -13.106 11.081 1.00 1.00 C ATOM 805 C MET A 51 1.392 -13.489 12.126 1.00 1.00 C ATOM 806 O MET A 51 1.846 -14.642 12.111 1.00 1.00 O ATOM 807 CB MET A 51 0.906 -12.019 10.164 1.00 1.00 C ATOM 808 CG MET A 51 0.117 -11.941 8.856 1.00 1.00 C ATOM 809 SD MET A 51 0.830 -13.077 7.631 1.00 1.00 S ATOM 810 CE MET A 51 2.415 -12.248 7.317 1.00 1.00 C ATOM 0 H MET A 51 -0.880 -11.618 11.894 1.00 1.00 H new ATOM 0 HA MET A 51 0.086 -13.976 10.477 1.00 1.00 H new ATOM 0 HB2 MET A 51 0.871 -11.055 10.672 1.00 1.00 H new ATOM 0 HB3 MET A 51 1.954 -12.228 9.949 1.00 1.00 H new ATOM 0 HG2 MET A 51 -0.927 -12.196 9.036 1.00 1.00 H new ATOM 0 HG3 MET A 51 0.134 -10.921 8.472 1.00 1.00 H new ATOM 0 HE1 MET A 51 2.716 -12.417 6.283 1.00 1.00 H new ATOM 0 HE2 MET A 51 2.307 -11.178 7.493 1.00 1.00 H new ATOM 0 HE3 MET A 51 3.175 -12.651 7.987 1.00 1.00 H new ATOM 820 N ASN A 52 1.752 -12.530 12.998 1.00 1.00 N ATOM 821 CA ASN A 52 2.739 -12.765 14.038 1.00 1.00 C ATOM 822 C ASN A 52 2.252 -13.892 14.951 1.00 1.00 C ATOM 823 O ASN A 52 1.793 -13.593 16.063 1.00 1.00 O ATOM 824 CB ASN A 52 2.943 -11.515 14.896 1.00 1.00 C ATOM 825 CG ASN A 52 4.332 -11.512 15.538 1.00 1.00 C ATOM 826 OD1 ASN A 52 5.230 -12.234 15.139 1.00 1.00 O ATOM 827 ND2 ASN A 52 4.457 -10.660 16.552 1.00 1.00 N ATOM 0 H ASN A 52 1.366 -11.586 12.993 1.00 1.00 H new ATOM 0 HA ASN A 52 3.681 -13.029 13.557 1.00 1.00 H new ATOM 0 HB2 ASN A 52 2.821 -10.623 14.281 1.00 1.00 H new ATOM 0 HB3 ASN A 52 2.179 -11.474 15.673 1.00 1.00 H new ATOM 0 HD21 ASN A 52 5.346 -10.583 17.046 1.00 1.00 H new ATOM 0 HD22 ASN A 52 3.664 -10.084 16.835 1.00 1.00 H new ATOM 834 N ASN A 53 2.360 -15.144 14.472 1.00 1.00 N ATOM 835 CA ASN A 53 1.934 -16.302 15.240 1.00 1.00 C ATOM 836 C ASN A 53 2.730 -17.529 14.788 1.00 1.00 C ATOM 837 O ASN A 53 2.124 -18.447 14.217 1.00 1.00 O ATOM 838 CB ASN A 53 0.449 -16.594 15.018 1.00 1.00 C ATOM 839 CG ASN A 53 0.061 -17.948 15.616 1.00 1.00 C ATOM 840 OD1 ASN A 53 0.074 -18.150 16.819 1.00 1.00 O ATOM 841 ND2 ASN A 53 -0.284 -18.860 14.712 1.00 1.00 N ATOM 0 H ASN A 53 2.741 -15.368 13.553 1.00 1.00 H new ATOM 0 HA ASN A 53 2.106 -16.089 16.295 1.00 1.00 H new ATOM 0 HB2 ASN A 53 -0.152 -15.806 15.472 1.00 1.00 H new ATOM 0 HB3 ASN A 53 0.229 -16.587 13.950 1.00 1.00 H new ATOM 0 HD21 ASN A 53 -0.560 -19.795 15.011 1.00 1.00 H new ATOM 0 HD22 ASN A 53 -0.273 -18.624 13.720 1.00 1.00 H new ATOM 848 N PHE A 54 4.049 -17.520 15.049 1.00 1.00 N ATOM 849 CA PHE A 54 4.916 -18.624 14.673 1.00 1.00 C ATOM 850 C PHE A 54 4.659 -19.809 15.605 1.00 1.00 C ATOM 851 O PHE A 54 3.932 -19.635 16.594 1.00 1.00 O ATOM 852 CB PHE A 54 6.385 -18.168 14.760 1.00 1.00 C ATOM 853 CG PHE A 54 6.720 -16.939 13.925 1.00 1.00 C ATOM 854 CD1 PHE A 54 6.590 -15.643 14.476 1.00 1.00 C ATOM 855 CD2 PHE A 54 7.158 -17.089 12.588 1.00 1.00 C ATOM 856 CE1 PHE A 54 6.897 -14.507 13.697 1.00 1.00 C ATOM 857 CE2 PHE A 54 7.464 -15.952 11.811 1.00 1.00 C ATOM 858 CZ PHE A 54 7.334 -14.661 12.365 1.00 1.00 C ATOM 0 H PHE A 54 4.528 -16.753 15.521 1.00 1.00 H new ATOM 0 HA PHE A 54 4.707 -18.935 13.649 1.00 1.00 H new ATOM 0 HB2 PHE A 54 6.625 -17.959 15.802 1.00 1.00 H new ATOM 0 HB3 PHE A 54 7.026 -18.991 14.444 1.00 1.00 H new ATOM 0 HD1 PHE A 54 6.255 -15.522 15.496 1.00 1.00 H new ATOM 0 HD2 PHE A 54 7.258 -18.076 12.161 1.00 1.00 H new ATOM 0 HE1 PHE A 54 6.797 -13.519 14.121 1.00 1.00 H new ATOM 0 HE2 PHE A 54 7.798 -16.070 10.791 1.00 1.00 H new ATOM 0 HZ PHE A 54 7.569 -13.791 11.769 1.00 1.00 H new ATOM 868 N GLU A 55 5.249 -20.972 15.277 1.00 1.00 N ATOM 869 CA GLU A 55 5.085 -22.173 16.079 1.00 1.00 C ATOM 870 C GLU A 55 6.376 -22.444 16.854 1.00 1.00 C ATOM 871 O GLU A 55 6.289 -22.917 17.997 1.00 1.00 O ATOM 872 CB GLU A 55 4.700 -23.377 15.217 1.00 1.00 C ATOM 873 CG GLU A 55 3.515 -23.044 14.308 1.00 1.00 C ATOM 874 CD GLU A 55 2.837 -24.319 13.803 1.00 1.00 C ATOM 875 OE1 GLU A 55 3.510 -25.404 13.985 1.00 1.00 O ATOM 876 OE2 GLU A 55 1.721 -24.256 13.265 1.00 1.00 O ATOM 0 H GLU A 55 5.843 -21.094 14.457 1.00 1.00 H new ATOM 0 HA GLU A 55 4.269 -22.014 16.784 1.00 1.00 H new ATOM 0 HB2 GLU A 55 5.553 -23.683 14.611 1.00 1.00 H new ATOM 0 HB3 GLU A 55 4.445 -24.221 15.858 1.00 1.00 H new ATOM 0 HG2 GLU A 55 2.793 -22.436 14.853 1.00 1.00 H new ATOM 0 HG3 GLU A 55 3.857 -22.450 13.461 1.00 1.00 H new ATOM 883 N THR A 56 7.528 -22.143 16.229 1.00 1.00 N ATOM 884 CA THR A 56 8.822 -22.352 16.857 1.00 1.00 C ATOM 885 C THR A 56 9.558 -21.015 16.957 1.00 1.00 C ATOM 886 O THR A 56 9.393 -20.182 16.054 1.00 1.00 O ATOM 887 CB THR A 56 9.587 -23.409 16.057 1.00 1.00 C ATOM 888 OG1 THR A 56 9.238 -23.138 14.702 1.00 1.00 O ATOM 889 CG2 THR A 56 9.060 -24.824 16.302 1.00 1.00 C ATOM 0 H THR A 56 7.577 -21.754 15.287 1.00 1.00 H new ATOM 0 HA THR A 56 8.718 -22.727 17.875 1.00 1.00 H new ATOM 0 HB THR A 56 10.645 -23.366 16.317 1.00 1.00 H new ATOM 0 HG1 THR A 56 9.692 -23.776 14.113 1.00 1.00 H new ATOM 0 HG21 THR A 56 9.637 -25.535 15.711 1.00 1.00 H new ATOM 0 HG22 THR A 56 9.156 -25.070 17.360 1.00 1.00 H new ATOM 0 HG23 THR A 56 8.011 -24.877 16.011 1.00 1.00 H new ATOM 897 N LEU A 57 10.343 -20.839 18.035 1.00 1.00 N ATOM 898 CA LEU A 57 11.095 -19.614 18.247 1.00 1.00 C ATOM 899 C LEU A 57 12.020 -19.374 17.052 1.00 1.00 C ATOM 900 O LEU A 57 11.984 -18.269 16.491 1.00 1.00 O ATOM 901 CB LEU A 57 11.826 -19.661 19.591 1.00 1.00 C ATOM 902 CG LEU A 57 12.399 -18.333 20.090 1.00 1.00 C ATOM 903 CD1 LEU A 57 11.318 -17.493 20.774 1.00 1.00 C ATOM 904 CD2 LEU A 57 13.607 -18.563 20.999 1.00 1.00 C ATOM 0 H LEU A 57 10.466 -21.538 18.768 1.00 1.00 H new ATOM 0 HA LEU A 57 10.422 -18.759 18.305 1.00 1.00 H new ATOM 0 HB2 LEU A 57 11.136 -20.042 20.344 1.00 1.00 H new ATOM 0 HB3 LEU A 57 12.642 -20.380 19.513 1.00 1.00 H new ATOM 0 HG LEU A 57 12.750 -17.767 19.227 1.00 1.00 H new ATOM 0 HD11 LEU A 57 11.751 -16.554 21.120 1.00 1.00 H new ATOM 0 HD12 LEU A 57 10.517 -17.284 20.065 1.00 1.00 H new ATOM 0 HD13 LEU A 57 10.915 -18.042 21.625 1.00 1.00 H new ATOM 0 HD21 LEU A 57 13.994 -17.603 21.339 1.00 1.00 H new ATOM 0 HD22 LEU A 57 13.306 -19.159 21.861 1.00 1.00 H new ATOM 0 HD23 LEU A 57 14.383 -19.092 20.446 1.00 1.00 H new ATOM 916 N GLU A 58 12.816 -20.397 16.692 1.00 1.00 N ATOM 917 CA GLU A 58 13.740 -20.297 15.575 1.00 1.00 C ATOM 918 C GLU A 58 12.977 -19.849 14.327 1.00 1.00 C ATOM 919 O GLU A 58 13.552 -19.104 13.520 1.00 1.00 O ATOM 920 CB GLU A 58 14.467 -21.620 15.328 1.00 1.00 C ATOM 921 CG GLU A 58 15.948 -21.383 15.024 1.00 1.00 C ATOM 922 CD GLU A 58 16.670 -22.705 14.753 1.00 1.00 C ATOM 923 OE1 GLU A 58 16.635 -23.210 13.621 1.00 1.00 O ATOM 924 OE2 GLU A 58 17.285 -23.208 15.769 1.00 1.00 O ATOM 0 H GLU A 58 12.829 -21.300 17.167 1.00 1.00 H new ATOM 0 HA GLU A 58 14.502 -19.556 15.816 1.00 1.00 H new ATOM 0 HB2 GLU A 58 14.370 -22.262 16.204 1.00 1.00 H new ATOM 0 HB3 GLU A 58 14.000 -22.145 14.495 1.00 1.00 H new ATOM 0 HG2 GLU A 58 16.045 -20.727 14.159 1.00 1.00 H new ATOM 0 HG3 GLU A 58 16.419 -20.873 15.865 1.00 1.00 H new ATOM 931 N GLU A 59 11.718 -20.304 14.195 1.00 1.00 N ATOM 932 CA GLU A 59 10.887 -19.953 13.056 1.00 1.00 C ATOM 933 C GLU A 59 10.553 -18.461 13.115 1.00 1.00 C ATOM 934 O GLU A 59 10.677 -17.787 12.082 1.00 1.00 O ATOM 935 CB GLU A 59 9.613 -20.799 13.006 1.00 1.00 C ATOM 936 CG GLU A 59 8.641 -20.264 11.953 1.00 1.00 C ATOM 937 CD GLU A 59 8.331 -21.331 10.901 1.00 1.00 C ATOM 938 OE1 GLU A 59 9.342 -22.044 10.535 1.00 1.00 O ATOM 939 OE2 GLU A 59 7.177 -21.456 10.466 1.00 1.00 O ATOM 0 H GLU A 59 11.263 -20.917 14.872 1.00 1.00 H new ATOM 0 HA GLU A 59 11.442 -20.162 12.141 1.00 1.00 H new ATOM 0 HB2 GLU A 59 9.868 -21.834 12.778 1.00 1.00 H new ATOM 0 HB3 GLU A 59 9.132 -20.797 13.984 1.00 1.00 H new ATOM 0 HG2 GLU A 59 7.717 -19.944 12.435 1.00 1.00 H new ATOM 0 HG3 GLU A 59 9.069 -19.386 11.470 1.00 1.00 H new ATOM 946 N CYS A 60 10.142 -17.983 14.303 1.00 1.00 N ATOM 947 CA CYS A 60 9.794 -16.584 14.492 1.00 1.00 C ATOM 948 C CYS A 60 11.055 -15.727 14.357 1.00 1.00 C ATOM 949 O CYS A 60 10.931 -14.552 13.982 1.00 1.00 O ATOM 950 CB CYS A 60 9.096 -16.366 15.835 1.00 1.00 C ATOM 951 SG CYS A 60 8.731 -14.630 16.231 1.00 1.00 S ATOM 0 H CYS A 60 10.046 -18.555 15.142 1.00 1.00 H new ATOM 0 HA CYS A 60 9.085 -16.281 13.721 1.00 1.00 H new ATOM 0 HB2 CYS A 60 8.163 -16.929 15.839 1.00 1.00 H new ATOM 0 HB3 CYS A 60 9.722 -16.781 16.625 1.00 1.00 H new ATOM 0 HG CYS A 60 9.840 -13.954 16.281 1.00 1.00 H new ATOM 957 N LYS A 61 12.222 -16.322 14.661 1.00 1.00 N ATOM 958 CA LYS A 61 13.490 -15.617 14.575 1.00 1.00 C ATOM 959 C LYS A 61 13.933 -15.551 13.112 1.00 1.00 C ATOM 960 O LYS A 61 14.253 -14.449 12.642 1.00 1.00 O ATOM 961 CB LYS A 61 14.524 -16.260 15.502 1.00 1.00 C ATOM 962 CG LYS A 61 13.987 -16.368 16.930 1.00 1.00 C ATOM 963 CD LYS A 61 14.966 -15.753 17.932 1.00 1.00 C ATOM 964 CE LYS A 61 14.256 -14.754 18.849 1.00 1.00 C ATOM 965 NZ LYS A 61 14.005 -15.355 20.169 1.00 1.00 N ATOM 0 H LYS A 61 12.301 -17.291 14.968 1.00 1.00 H new ATOM 0 HA LYS A 61 13.379 -14.590 14.922 1.00 1.00 H new ATOM 0 HB2 LYS A 61 14.783 -17.252 15.131 1.00 1.00 H new ATOM 0 HB3 LYS A 61 15.439 -15.668 15.498 1.00 1.00 H new ATOM 0 HG2 LYS A 61 13.024 -15.862 16.999 1.00 1.00 H new ATOM 0 HG3 LYS A 61 13.815 -17.415 17.180 1.00 1.00 H new ATOM 0 HD2 LYS A 61 15.422 -16.541 18.531 1.00 1.00 H new ATOM 0 HD3 LYS A 61 15.773 -15.252 17.397 1.00 1.00 H new ATOM 0 HE2 LYS A 61 14.865 -13.857 18.961 1.00 1.00 H new ATOM 0 HE3 LYS A 61 13.313 -14.444 18.399 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 13.696 -14.617 20.833 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 13.262 -16.078 20.086 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 14.879 -15.795 20.522 1.00 1.00 H new ATOM 979 N ASN A 62 13.944 -16.711 12.432 1.00 1.00 N ATOM 980 CA ASN A 62 14.344 -16.784 11.037 1.00 1.00 C ATOM 981 C ASN A 62 13.521 -15.784 10.222 1.00 1.00 C ATOM 982 O ASN A 62 14.099 -15.114 9.354 1.00 1.00 O ATOM 983 CB ASN A 62 14.094 -18.180 10.464 1.00 1.00 C ATOM 984 CG ASN A 62 15.340 -18.712 9.752 1.00 1.00 C ATOM 985 OD1 ASN A 62 15.645 -18.351 8.627 1.00 1.00 O ATOM 986 ND2 ASN A 62 16.040 -19.587 10.468 1.00 1.00 N ATOM 0 H ASN A 62 13.677 -17.608 12.838 1.00 1.00 H new ATOM 0 HA ASN A 62 15.408 -16.556 10.979 1.00 1.00 H new ATOM 0 HB2 ASN A 62 13.811 -18.861 11.267 1.00 1.00 H new ATOM 0 HB3 ASN A 62 13.258 -18.146 9.765 1.00 1.00 H new ATOM 0 HD21 ASN A 62 16.889 -20.000 10.081 1.00 1.00 H new ATOM 0 HD22 ASN A 62 15.728 -19.845 11.404 1.00 1.00 H new ATOM 993 N ILE A 63 12.210 -15.705 10.513 1.00 1.00 N ATOM 994 CA ILE A 63 11.320 -14.795 9.812 1.00 1.00 C ATOM 995 C ILE A 63 11.524 -13.376 10.346 1.00 1.00 C ATOM 996 O ILE A 63 11.794 -12.475 9.539 1.00 1.00 O ATOM 997 CB ILE A 63 9.873 -15.285 9.904 1.00 1.00 C ATOM 998 CG1 ILE A 63 9.618 -16.428 8.920 1.00 1.00 C ATOM 999 CG2 ILE A 63 8.890 -14.130 9.708 1.00 1.00 C ATOM 1000 CD1 ILE A 63 9.690 -15.934 7.474 1.00 1.00 C ATOM 0 H ILE A 63 11.754 -16.266 11.232 1.00 1.00 H new ATOM 0 HA ILE A 63 11.558 -14.773 8.749 1.00 1.00 H new ATOM 0 HB ILE A 63 9.709 -15.681 10.906 1.00 1.00 H new ATOM 0 HG12 ILE A 63 10.354 -17.217 9.075 1.00 1.00 H new ATOM 0 HG13 ILE A 63 8.637 -16.864 9.110 1.00 1.00 H new ATOM 0 HG21 ILE A 63 7.869 -14.505 9.778 1.00 1.00 H new ATOM 0 HG22 ILE A 63 9.054 -13.378 10.480 1.00 1.00 H new ATOM 0 HG23 ILE A 63 9.046 -13.682 8.726 1.00 1.00 H new ATOM 0 HD11 ILE A 63 9.505 -16.767 6.795 1.00 1.00 H new ATOM 0 HD12 ILE A 63 8.937 -15.162 7.315 1.00 1.00 H new ATOM 0 HD13 ILE A 63 10.680 -15.521 7.280 1.00 1.00 H new ATOM 1012 N CYS A 64 11.392 -13.208 11.674 1.00 1.00 N ATOM 1013 CA CYS A 64 11.561 -11.910 12.306 1.00 1.00 C ATOM 1014 C CYS A 64 13.054 -11.614 12.462 1.00 1.00 C ATOM 1015 O CYS A 64 13.606 -10.901 11.611 1.00 1.00 O ATOM 1016 CB CYS A 64 10.825 -11.849 13.646 1.00 1.00 C ATOM 1017 SG CYS A 64 9.138 -12.524 13.620 1.00 1.00 S ATOM 0 H CYS A 64 11.168 -13.963 12.322 1.00 1.00 H new ATOM 0 HA CYS A 64 11.120 -11.141 11.673 1.00 1.00 H new ATOM 0 HB2 CYS A 64 11.407 -12.393 14.390 1.00 1.00 H new ATOM 0 HB3 CYS A 64 10.781 -10.810 13.973 1.00 1.00 H new ATOM 0 HG CYS A 64 8.551 -12.182 12.512 1.00 1.00 H new ATOM 1023 N GLU A 65 13.668 -12.158 13.528 1.00 1.00 N ATOM 1024 CA GLU A 65 15.083 -11.954 13.789 1.00 1.00 C ATOM 1025 C GLU A 65 15.846 -11.947 12.463 1.00 1.00 C ATOM 1026 O GLU A 65 16.880 -11.268 12.382 1.00 1.00 O ATOM 1027 CB GLU A 65 15.639 -13.018 14.737 1.00 1.00 C ATOM 1028 CG GLU A 65 15.442 -12.608 16.198 1.00 1.00 C ATOM 1029 CD GLU A 65 16.625 -13.059 17.058 1.00 1.00 C ATOM 1030 OE1 GLU A 65 17.427 -13.892 16.488 1.00 1.00 O ATOM 1031 OE2 GLU A 65 16.753 -12.625 18.213 1.00 1.00 O ATOM 0 H GLU A 65 13.195 -12.742 14.218 1.00 1.00 H new ATOM 0 HA GLU A 65 15.212 -10.991 14.283 1.00 1.00 H new ATOM 0 HB2 GLU A 65 15.141 -13.970 14.553 1.00 1.00 H new ATOM 0 HB3 GLU A 65 16.700 -13.169 14.538 1.00 1.00 H new ATOM 0 HG2 GLU A 65 15.331 -11.526 16.264 1.00 1.00 H new ATOM 0 HG3 GLU A 65 14.521 -13.047 16.582 1.00 1.00 H new ATOM 1038 N ASP A 66 15.332 -12.692 11.468 1.00 1.00 N ATOM 1039 CA ASP A 66 15.961 -12.771 10.161 1.00 1.00 C ATOM 1040 C ASP A 66 17.481 -12.799 10.332 1.00 1.00 C ATOM 1041 O ASP A 66 18.126 -11.781 10.042 1.00 1.00 O ATOM 1042 CB ASP A 66 15.604 -11.554 9.304 1.00 1.00 C ATOM 1043 CG ASP A 66 15.757 -10.203 10.004 1.00 1.00 C ATOM 1044 OD1 ASP A 66 16.846 -9.851 10.482 1.00 1.00 O ATOM 1045 OD2 ASP A 66 14.684 -9.488 10.049 1.00 1.00 O ATOM 0 H ASP A 66 14.480 -13.245 11.556 1.00 1.00 H new ATOM 0 HA ASP A 66 15.605 -13.676 9.669 1.00 1.00 H new ATOM 0 HB2 ASP A 66 16.233 -11.558 8.414 1.00 1.00 H new ATOM 0 HB3 ASP A 66 14.573 -11.656 8.966 1.00 1.00 H new