USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 444 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 Single : A 12 TYR OH : rot 28:sc= 0.279! USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 90:sc= -2.36! USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 30:sc=-0.00804 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.127 K(o=-0.13,f=-2!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -1.28 USER MOD Single : A 35 HIS : no HD1:sc= -5.66! C(o=-5.7!,f=-6.3!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -5.79 K(o=-5.8,f=-22!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.0275 K(o=-0.027,f=-1.4!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -167:sc= -0.0167 (180deg=-0.178) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD ----------------------------------------------------------------- ATOM 137 N TYR A 12 4.001 -1.379 -11.078 1.00 0.00 N ATOM 138 CA TYR A 12 4.711 -0.689 -10.009 1.00 0.00 C ATOM 139 C TYR A 12 5.931 0.049 -10.553 1.00 0.00 C ATOM 140 O TYR A 12 6.497 -0.311 -11.586 1.00 0.00 O ATOM 141 CB TYR A 12 5.143 -1.683 -8.930 1.00 0.00 C ATOM 142 CG TYR A 12 3.996 -2.205 -8.094 1.00 0.00 C ATOM 143 CD1 TYR A 12 3.013 -1.348 -7.616 1.00 0.00 C ATOM 144 CD2 TYR A 12 3.896 -3.556 -7.782 1.00 0.00 C ATOM 145 CE1 TYR A 12 1.964 -1.821 -6.851 1.00 0.00 C ATOM 146 CE2 TYR A 12 2.850 -4.037 -7.020 1.00 0.00 C ATOM 147 CZ TYR A 12 1.886 -3.166 -6.556 1.00 0.00 C ATOM 148 OH TYR A 12 0.842 -3.641 -5.796 1.00 0.00 O ATOM 0 HA TYR A 12 4.032 0.042 -9.570 1.00 0.00 H new ATOM 0 HB2 TYR A 12 5.648 -2.524 -9.404 1.00 0.00 H new ATOM 0 HB3 TYR A 12 5.870 -1.202 -8.275 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.069 -0.294 -7.846 1.00 0.00 H new ATOM 0 HD2 TYR A 12 4.649 -4.241 -8.142 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.209 -1.141 -6.486 1.00 0.00 H new ATOM 0 HE2 TYR A 12 2.787 -5.090 -6.788 1.00 0.00 H new ATOM 0 HH TYR A 12 0.060 -3.063 -5.917 1.00 0.00 H new ATOM 158 N PRO A 13 6.347 1.107 -9.841 1.00 0.00 N ATOM 159 CA PRO A 13 5.681 1.545 -8.611 1.00 0.00 C ATOM 160 C PRO A 13 4.304 2.142 -8.878 1.00 0.00 C ATOM 161 O PRO A 13 4.008 2.571 -9.994 1.00 0.00 O ATOM 162 CB PRO A 13 6.629 2.611 -8.055 1.00 0.00 C ATOM 163 CG PRO A 13 7.360 3.126 -9.247 1.00 0.00 C ATOM 164 CD PRO A 13 7.499 1.958 -10.183 1.00 0.00 C ATOM 0 HA PRO A 13 5.502 0.716 -7.927 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.079 3.407 -7.553 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.315 2.187 -7.322 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.812 3.941 -9.719 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.337 3.519 -8.966 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.470 2.273 -11.226 1.00 0.00 H new ATOM 0 HD3 PRO A 13 8.443 1.434 -10.035 1.00 0.00 H new ATOM 172 N LEU A 14 3.466 2.169 -7.848 1.00 0.00 N ATOM 173 CA LEU A 14 2.119 2.715 -7.971 1.00 0.00 C ATOM 174 C LEU A 14 1.775 3.592 -6.772 1.00 0.00 C ATOM 175 O LEU A 14 2.290 3.389 -5.671 1.00 0.00 O ATOM 176 CB LEU A 14 1.098 1.583 -8.099 1.00 0.00 C ATOM 177 CG LEU A 14 0.893 1.020 -9.505 1.00 0.00 C ATOM 178 CD1 LEU A 14 0.138 -0.299 -9.447 1.00 0.00 C ATOM 179 CD2 LEU A 14 0.153 2.022 -10.379 1.00 0.00 C ATOM 0 H LEU A 14 3.696 1.819 -6.918 1.00 0.00 H new ATOM 0 HA LEU A 14 2.084 3.331 -8.870 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.405 0.768 -7.444 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.138 1.943 -7.730 1.00 0.00 H new ATOM 0 HG LEU A 14 1.872 0.836 -9.948 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.001 -0.685 -10.457 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.707 -1.018 -8.858 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.836 -0.141 -8.984 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.016 1.604 -11.376 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.821 2.239 -9.940 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.733 2.942 -10.448 1.00 0.00 H new ATOM 191 N THR A 15 0.900 4.569 -6.990 1.00 0.00 N ATOM 192 CA THR A 15 0.486 5.477 -5.928 1.00 0.00 C ATOM 193 C THR A 15 -0.957 5.215 -5.513 1.00 0.00 C ATOM 194 O THR A 15 -1.887 5.440 -6.289 1.00 0.00 O ATOM 195 CB THR A 15 0.625 6.948 -6.361 1.00 0.00 C ATOM 196 OG1 THR A 15 1.888 7.153 -7.004 1.00 0.00 O ATOM 197 CG2 THR A 15 0.504 7.878 -5.163 1.00 0.00 C ATOM 0 H THR A 15 0.464 4.752 -7.894 1.00 0.00 H new ATOM 0 HA THR A 15 1.145 5.292 -5.079 1.00 0.00 H new ATOM 0 HB THR A 15 -0.179 7.175 -7.061 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.967 8.091 -7.278 1.00 0.00 H new ATOM 0 HG21 THR A 15 0.605 8.912 -5.493 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.470 7.741 -4.693 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.290 7.648 -4.443 1.00 0.00 H new ATOM 205 N CYS A 16 -1.138 4.740 -4.286 1.00 0.00 N ATOM 206 CA CYS A 16 -2.470 4.448 -3.767 1.00 0.00 C ATOM 207 C CYS A 16 -2.815 5.373 -2.604 1.00 0.00 C ATOM 208 O CYS A 16 -1.948 6.060 -2.064 1.00 0.00 O ATOM 209 CB CYS A 16 -2.555 2.989 -3.317 1.00 0.00 C ATOM 210 SG CYS A 16 -1.051 2.369 -2.529 1.00 0.00 S ATOM 0 H CYS A 16 -0.379 4.549 -3.632 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.191 4.617 -4.567 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.387 2.883 -2.621 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.782 2.366 -4.182 1.00 0.00 H new ATOM 0 HG CYS A 16 -1.112 2.584 -1.248 1.00 0.00 H new ATOM 216 N LYS A 17 -4.088 5.386 -2.224 1.00 0.00 N ATOM 217 CA LYS A 17 -4.551 6.227 -1.126 1.00 0.00 C ATOM 218 C LYS A 17 -5.221 5.387 -0.044 1.00 0.00 C ATOM 219 O LYS A 17 -6.025 4.502 -0.339 1.00 0.00 O ATOM 220 CB LYS A 17 -5.527 7.286 -1.643 1.00 0.00 C ATOM 221 CG LYS A 17 -5.936 8.302 -0.590 1.00 0.00 C ATOM 222 CD LYS A 17 -6.388 9.608 -1.222 1.00 0.00 C ATOM 223 CE LYS A 17 -7.877 9.591 -1.530 1.00 0.00 C ATOM 224 NZ LYS A 17 -8.216 10.476 -2.679 1.00 0.00 N ATOM 0 H LYS A 17 -4.818 4.823 -2.660 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.684 6.724 -0.691 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.071 7.810 -2.483 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.420 6.790 -2.024 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.743 7.893 0.018 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.097 8.492 0.079 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.164 10.436 -0.549 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.827 9.783 -2.140 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.190 8.571 -1.753 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.434 9.910 -0.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.240 10.437 -2.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.941 11.454 -2.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.705 10.156 -3.526 1.00 0.00 H new ATOM 238 N VAL A 18 -4.887 5.671 1.211 1.00 0.00 N ATOM 239 CA VAL A 18 -5.459 4.943 2.338 1.00 0.00 C ATOM 240 C VAL A 18 -6.868 5.435 2.651 1.00 0.00 C ATOM 241 O VAL A 18 -7.049 6.498 3.245 1.00 0.00 O ATOM 242 CB VAL A 18 -4.586 5.085 3.599 1.00 0.00 C ATOM 243 CG1 VAL A 18 -5.254 4.413 4.789 1.00 0.00 C ATOM 244 CG2 VAL A 18 -3.201 4.505 3.355 1.00 0.00 C ATOM 0 H VAL A 18 -4.223 6.400 1.473 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.499 3.893 2.049 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.475 6.145 3.827 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.623 4.523 5.671 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.221 4.880 4.974 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.397 3.354 4.576 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.597 4.614 4.256 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.288 3.448 3.102 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.724 5.037 2.532 1.00 0.00 H new ATOM 254 N VAL A 19 -7.865 4.653 2.247 1.00 0.00 N ATOM 255 CA VAL A 19 -9.259 5.007 2.486 1.00 0.00 C ATOM 256 C VAL A 19 -9.737 4.479 3.834 1.00 0.00 C ATOM 257 O VAL A 19 -10.677 5.013 4.423 1.00 0.00 O ATOM 258 CB VAL A 19 -10.175 4.457 1.377 1.00 0.00 C ATOM 259 CG1 VAL A 19 -10.164 5.380 0.168 1.00 0.00 C ATOM 260 CG2 VAL A 19 -9.753 3.049 0.987 1.00 0.00 C ATOM 0 H VAL A 19 -7.733 3.771 1.753 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.314 6.096 2.486 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.194 4.413 1.761 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.817 4.975 -0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -10.519 6.368 0.461 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.148 5.459 -0.220 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.411 2.676 0.202 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.726 3.065 0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.819 2.395 1.857 1.00 0.00 H new ATOM 270 N TYR A 20 -9.084 3.428 4.316 1.00 0.00 N ATOM 271 CA TYR A 20 -9.444 2.825 5.594 1.00 0.00 C ATOM 272 C TYR A 20 -8.242 2.781 6.533 1.00 0.00 C ATOM 273 O TYR A 20 -7.207 2.199 6.207 1.00 0.00 O ATOM 274 CB TYR A 20 -9.990 1.413 5.381 1.00 0.00 C ATOM 275 CG TYR A 20 -11.448 1.382 4.981 1.00 0.00 C ATOM 276 CD1 TYR A 20 -11.851 1.794 3.717 1.00 0.00 C ATOM 277 CD2 TYR A 20 -12.423 0.940 5.867 1.00 0.00 C ATOM 278 CE1 TYR A 20 -13.182 1.768 3.348 1.00 0.00 C ATOM 279 CE2 TYR A 20 -13.756 0.910 5.507 1.00 0.00 C ATOM 280 CZ TYR A 20 -14.131 1.325 4.246 1.00 0.00 C ATOM 281 OH TYR A 20 -15.457 1.296 3.882 1.00 0.00 O ATOM 0 H TYR A 20 -8.303 2.976 3.841 1.00 0.00 H new ATOM 0 HA TYR A 20 -10.218 3.441 6.052 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -9.400 0.917 4.611 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -9.862 0.840 6.299 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -11.111 2.141 3.011 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -12.133 0.614 6.855 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -13.478 2.093 2.362 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -14.500 0.564 6.209 1.00 0.00 H new ATOM 0 HH TYR A 20 -15.994 0.957 4.629 1.00 0.00 H new ATOM 291 N SER A 21 -8.387 3.399 7.700 1.00 0.00 N ATOM 292 CA SER A 21 -7.314 3.433 8.687 1.00 0.00 C ATOM 293 C SER A 21 -6.960 2.025 9.154 1.00 0.00 C ATOM 294 O SER A 21 -7.826 1.155 9.254 1.00 0.00 O ATOM 295 CB SER A 21 -7.721 4.293 9.885 1.00 0.00 C ATOM 296 OG SER A 21 -8.524 3.556 10.792 1.00 0.00 O ATOM 0 H SER A 21 -9.238 3.884 7.986 1.00 0.00 H new ATOM 0 HA SER A 21 -6.435 3.872 8.216 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.829 4.656 10.396 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.269 5.169 9.538 1.00 0.00 H new ATOM 0 HG SER A 21 -8.770 4.127 11.550 1.00 0.00 H new ATOM 302 N TYR A 22 -5.680 1.807 9.438 1.00 0.00 N ATOM 303 CA TYR A 22 -5.209 0.504 9.892 1.00 0.00 C ATOM 304 C TYR A 22 -4.019 0.653 10.834 1.00 0.00 C ATOM 305 O TYR A 22 -2.941 1.088 10.428 1.00 0.00 O ATOM 306 CB TYR A 22 -4.822 -0.367 8.695 1.00 0.00 C ATOM 307 CG TYR A 22 -4.246 -1.710 9.085 1.00 0.00 C ATOM 308 CD1 TYR A 22 -5.066 -2.730 9.553 1.00 0.00 C ATOM 309 CD2 TYR A 22 -2.883 -1.959 8.985 1.00 0.00 C ATOM 310 CE1 TYR A 22 -4.544 -3.958 9.910 1.00 0.00 C ATOM 311 CE2 TYR A 22 -2.353 -3.184 9.339 1.00 0.00 C ATOM 312 CZ TYR A 22 -3.187 -4.180 9.802 1.00 0.00 C ATOM 313 OH TYR A 22 -2.664 -5.403 10.156 1.00 0.00 O ATOM 0 H TYR A 22 -4.951 2.516 9.362 1.00 0.00 H new ATOM 0 HA TYR A 22 -6.021 0.021 10.436 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -5.702 -0.526 8.072 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.093 0.169 8.087 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -6.129 -2.560 9.639 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.227 -1.181 8.624 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -5.195 -4.740 10.272 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.291 -3.361 9.254 1.00 0.00 H new ATOM 0 HH TYR A 22 -3.332 -6.102 9.998 1.00 0.00 H new ATOM 323 N LYS A 23 -4.221 0.287 12.095 1.00 0.00 N ATOM 324 CA LYS A 23 -3.166 0.376 13.097 1.00 0.00 C ATOM 325 C LYS A 23 -2.277 -0.863 13.064 1.00 0.00 C ATOM 326 O LYS A 23 -2.689 -1.944 13.482 1.00 0.00 O ATOM 327 CB LYS A 23 -3.772 0.545 14.492 1.00 0.00 C ATOM 328 CG LYS A 23 -2.757 0.426 15.615 1.00 0.00 C ATOM 329 CD LYS A 23 -2.105 1.764 15.922 1.00 0.00 C ATOM 330 CE LYS A 23 -1.443 1.760 17.291 1.00 0.00 C ATOM 331 NZ LYS A 23 -0.714 3.031 17.558 1.00 0.00 N ATOM 0 H LYS A 23 -5.107 -0.075 12.448 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.553 1.247 12.866 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.256 1.520 14.553 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.549 -0.206 14.635 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.247 0.045 16.511 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.991 -0.298 15.339 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.362 1.992 15.158 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.856 2.553 15.882 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.200 1.607 18.060 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.749 0.922 17.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.277 2.989 18.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.025 3.165 16.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.381 3.828 17.521 1.00 0.00 H new ATOM 345 N ALA A 24 -1.057 -0.697 12.566 1.00 0.00 N ATOM 346 CA ALA A 24 -0.109 -1.802 12.482 1.00 0.00 C ATOM 347 C ALA A 24 -0.017 -2.548 13.809 1.00 0.00 C ATOM 348 O ALA A 24 0.118 -1.936 14.868 1.00 0.00 O ATOM 349 CB ALA A 24 1.262 -1.290 12.065 1.00 0.00 C ATOM 0 H ALA A 24 -0.701 0.192 12.214 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.469 -2.501 11.727 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.960 -2.125 12.006 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.189 -0.808 11.090 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.620 -0.569 12.800 1.00 0.00 H new ATOM 355 N SER A 25 -0.092 -3.873 13.743 1.00 0.00 N ATOM 356 CA SER A 25 -0.021 -4.703 14.940 1.00 0.00 C ATOM 357 C SER A 25 1.299 -5.464 14.996 1.00 0.00 C ATOM 358 O SER A 25 1.737 -5.889 16.065 1.00 0.00 O ATOM 359 CB SER A 25 -1.192 -5.687 14.974 1.00 0.00 C ATOM 360 OG SER A 25 -1.383 -6.208 16.278 1.00 0.00 O ATOM 0 H SER A 25 -0.202 -4.395 12.874 1.00 0.00 H new ATOM 0 HA SER A 25 -0.080 -4.049 15.810 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.102 -5.186 14.642 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.005 -6.504 14.277 1.00 0.00 H new ATOM 0 HG SER A 25 -2.138 -6.833 16.273 1.00 0.00 H new ATOM 366 N GLN A 26 1.928 -5.633 13.838 1.00 0.00 N ATOM 367 CA GLN A 26 3.198 -6.344 13.754 1.00 0.00 C ATOM 368 C GLN A 26 4.340 -5.384 13.436 1.00 0.00 C ATOM 369 O GLN A 26 4.144 -4.324 12.839 1.00 0.00 O ATOM 370 CB GLN A 26 3.125 -7.439 12.689 1.00 0.00 C ATOM 371 CG GLN A 26 2.318 -8.653 13.119 1.00 0.00 C ATOM 372 CD GLN A 26 2.681 -9.901 12.338 1.00 0.00 C ATOM 373 OE1 GLN A 26 3.725 -9.959 11.687 1.00 0.00 O ATOM 374 NE2 GLN A 26 1.819 -10.909 12.399 1.00 0.00 N ATOM 0 H GLN A 26 1.579 -5.287 12.944 1.00 0.00 H new ATOM 0 HA GLN A 26 3.393 -6.803 14.723 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.685 -7.024 11.782 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.137 -7.757 12.436 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.479 -8.834 14.182 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.256 -8.444 12.989 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.966 -10.818 12.951 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.010 -11.775 11.894 1.00 0.00 H new ATOM 383 N PRO A 27 5.561 -5.760 13.843 1.00 0.00 N ATOM 384 CA PRO A 27 6.758 -4.946 13.612 1.00 0.00 C ATOM 385 C PRO A 27 7.155 -4.903 12.140 1.00 0.00 C ATOM 386 O PRO A 27 7.979 -4.084 11.733 1.00 0.00 O ATOM 387 CB PRO A 27 7.835 -5.657 14.435 1.00 0.00 C ATOM 388 CG PRO A 27 7.370 -7.069 14.528 1.00 0.00 C ATOM 389 CD PRO A 27 5.868 -7.009 14.560 1.00 0.00 C ATOM 0 HA PRO A 27 6.603 -3.905 13.895 1.00 0.00 H new ATOM 0 HB2 PRO A 27 8.810 -5.592 13.952 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.939 -5.208 15.423 1.00 0.00 H new ATOM 0 HG2 PRO A 27 7.719 -7.652 13.676 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.761 -7.550 15.425 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.421 -7.874 14.070 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.488 -6.990 15.582 1.00 0.00 H new ATOM 397 N ASP A 28 6.563 -5.789 11.347 1.00 0.00 N ATOM 398 CA ASP A 28 6.854 -5.851 9.919 1.00 0.00 C ATOM 399 C ASP A 28 5.709 -5.255 9.105 1.00 0.00 C ATOM 400 O ASP A 28 5.665 -5.397 7.884 1.00 0.00 O ATOM 401 CB ASP A 28 7.102 -7.298 9.490 1.00 0.00 C ATOM 402 CG ASP A 28 7.841 -8.096 10.546 1.00 0.00 C ATOM 403 OD1 ASP A 28 9.090 -8.050 10.559 1.00 0.00 O ATOM 404 OD2 ASP A 28 7.172 -8.767 11.359 1.00 0.00 O ATOM 0 H ASP A 28 5.879 -6.474 11.668 1.00 0.00 H new ATOM 0 HA ASP A 28 7.754 -5.265 9.730 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.148 -7.779 9.277 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.677 -7.306 8.564 1.00 0.00 H new ATOM 409 N GLU A 29 4.785 -4.590 9.792 1.00 0.00 N ATOM 410 CA GLU A 29 3.640 -3.975 9.132 1.00 0.00 C ATOM 411 C GLU A 29 3.857 -2.476 8.949 1.00 0.00 C ATOM 412 O GLU A 29 4.811 -1.906 9.481 1.00 0.00 O ATOM 413 CB GLU A 29 2.364 -4.222 9.940 1.00 0.00 C ATOM 414 CG GLU A 29 1.646 -5.508 9.566 1.00 0.00 C ATOM 415 CD GLU A 29 0.386 -5.730 10.380 1.00 0.00 C ATOM 416 OE1 GLU A 29 -0.019 -4.802 11.111 1.00 0.00 O ATOM 417 OE2 GLU A 29 -0.196 -6.831 10.285 1.00 0.00 O ATOM 0 H GLU A 29 4.807 -4.464 10.804 1.00 0.00 H new ATOM 0 HA GLU A 29 3.533 -4.431 8.148 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.615 -4.251 11.000 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.685 -3.382 9.797 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.390 -5.482 8.507 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.321 -6.352 9.710 1.00 0.00 H new ATOM 424 N LEU A 30 2.967 -1.843 8.194 1.00 0.00 N ATOM 425 CA LEU A 30 3.060 -0.409 7.940 1.00 0.00 C ATOM 426 C LEU A 30 1.837 0.321 8.485 1.00 0.00 C ATOM 427 O LEU A 30 0.726 0.158 7.979 1.00 0.00 O ATOM 428 CB LEU A 30 3.200 -0.145 6.440 1.00 0.00 C ATOM 429 CG LEU A 30 3.979 1.112 6.049 1.00 0.00 C ATOM 430 CD1 LEU A 30 3.319 2.352 6.633 1.00 0.00 C ATOM 431 CD2 LEU A 30 5.425 1.008 6.511 1.00 0.00 C ATOM 0 H LEU A 30 2.172 -2.300 7.747 1.00 0.00 H new ATOM 0 HA LEU A 30 3.944 -0.031 8.453 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.687 -1.007 5.984 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.201 -0.078 6.008 1.00 0.00 H new ATOM 0 HG LEU A 30 3.971 1.198 4.962 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.887 3.237 6.345 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.301 2.435 6.254 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.296 2.274 7.720 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.964 1.911 6.224 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.454 0.897 7.595 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.894 0.142 6.045 1.00 0.00 H new ATOM 443 N THR A 31 2.048 1.130 9.519 1.00 0.00 N ATOM 444 CA THR A 31 0.964 1.886 10.132 1.00 0.00 C ATOM 445 C THR A 31 0.431 2.952 9.181 1.00 0.00 C ATOM 446 O THR A 31 1.146 3.888 8.820 1.00 0.00 O ATOM 447 CB THR A 31 1.419 2.562 11.439 1.00 0.00 C ATOM 448 OG1 THR A 31 1.873 1.572 12.369 1.00 0.00 O ATOM 449 CG2 THR A 31 0.283 3.363 12.058 1.00 0.00 C ATOM 0 H THR A 31 2.961 1.278 9.949 1.00 0.00 H new ATOM 0 HA THR A 31 0.170 1.174 10.357 1.00 0.00 H new ATOM 0 HB THR A 31 2.237 3.243 11.205 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.162 2.009 13.197 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.628 3.831 12.980 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.042 4.134 11.359 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.552 2.699 12.279 1.00 0.00 H new ATOM 457 N ILE A 32 -0.827 2.806 8.780 1.00 0.00 N ATOM 458 CA ILE A 32 -1.454 3.758 7.872 1.00 0.00 C ATOM 459 C ILE A 32 -2.641 4.449 8.535 1.00 0.00 C ATOM 460 O ILE A 32 -3.022 4.110 9.655 1.00 0.00 O ATOM 461 CB ILE A 32 -1.932 3.072 6.578 1.00 0.00 C ATOM 462 CG1 ILE A 32 -2.936 1.965 6.903 1.00 0.00 C ATOM 463 CG2 ILE A 32 -0.746 2.510 5.808 1.00 0.00 C ATOM 464 CD1 ILE A 32 -3.417 1.209 5.684 1.00 0.00 C ATOM 0 H ILE A 32 -1.432 2.038 9.070 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.697 4.501 7.621 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.428 3.814 5.952 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.477 1.262 7.599 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.795 2.402 7.412 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.099 2.028 4.896 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.063 3.320 5.550 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.225 1.779 6.426 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.126 0.440 5.989 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.905 1.900 4.997 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.567 0.742 5.187 1.00 0.00 H new ATOM 476 N GLU A 33 -3.221 5.419 7.835 1.00 0.00 N ATOM 477 CA GLU A 33 -4.366 6.157 8.356 1.00 0.00 C ATOM 478 C GLU A 33 -5.125 6.851 7.229 1.00 0.00 C ATOM 479 O GLU A 33 -4.523 7.373 6.291 1.00 0.00 O ATOM 480 CB GLU A 33 -3.908 7.189 9.388 1.00 0.00 C ATOM 481 CG GLU A 33 -3.884 6.657 10.811 1.00 0.00 C ATOM 482 CD GLU A 33 -3.680 7.753 11.840 1.00 0.00 C ATOM 483 OE1 GLU A 33 -2.691 8.505 11.716 1.00 0.00 O ATOM 484 OE2 GLU A 33 -4.508 7.857 12.769 1.00 0.00 O ATOM 0 H GLU A 33 -2.917 5.712 6.906 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.036 5.445 8.837 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.910 7.538 9.123 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.570 8.054 9.343 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.821 6.140 11.017 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.086 5.921 10.906 1.00 0.00 H new ATOM 491 N GLU A 34 -6.451 6.851 7.328 1.00 0.00 N ATOM 492 CA GLU A 34 -7.292 7.479 6.316 1.00 0.00 C ATOM 493 C GLU A 34 -6.651 8.763 5.797 1.00 0.00 C ATOM 494 O GLU A 34 -6.021 9.505 6.551 1.00 0.00 O ATOM 495 CB GLU A 34 -8.677 7.784 6.890 1.00 0.00 C ATOM 496 CG GLU A 34 -9.761 7.908 5.832 1.00 0.00 C ATOM 497 CD GLU A 34 -11.132 8.162 6.428 1.00 0.00 C ATOM 498 OE1 GLU A 34 -11.400 9.315 6.826 1.00 0.00 O ATOM 499 OE2 GLU A 34 -11.935 7.209 6.497 1.00 0.00 O ATOM 0 H GLU A 34 -6.965 6.423 8.098 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.397 6.783 5.484 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.953 6.995 7.590 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.629 8.712 7.459 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.508 8.721 5.152 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.791 6.994 5.239 1.00 0.00 H new ATOM 506 N HIS A 35 -6.816 9.018 4.503 1.00 0.00 N ATOM 507 CA HIS A 35 -6.254 10.212 3.881 1.00 0.00 C ATOM 508 C HIS A 35 -4.729 10.167 3.898 1.00 0.00 C ATOM 509 O HIS A 35 -4.074 11.156 4.224 1.00 0.00 O ATOM 510 CB HIS A 35 -6.747 11.468 4.601 1.00 0.00 C ATOM 511 CG HIS A 35 -8.152 11.355 5.108 1.00 0.00 C ATOM 512 ND1 HIS A 35 -8.503 11.609 6.417 1.00 0.00 N ATOM 513 CD2 HIS A 35 -9.298 11.015 4.472 1.00 0.00 C ATOM 514 CE1 HIS A 35 -9.803 11.428 6.565 1.00 0.00 C ATOM 515 NE2 HIS A 35 -10.309 11.068 5.400 1.00 0.00 N ATOM 0 H HIS A 35 -7.334 8.414 3.865 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.587 10.242 2.844 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.083 11.681 5.439 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -6.682 12.316 3.920 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -9.398 10.751 3.429 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -10.358 11.553 7.483 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -11.291 10.863 5.219 1.00 0.00 H new ATOM 524 N GLU A 36 -4.172 9.013 3.546 1.00 0.00 N ATOM 525 CA GLU A 36 -2.725 8.840 3.523 1.00 0.00 C ATOM 526 C GLU A 36 -2.276 8.184 2.221 1.00 0.00 C ATOM 527 O GLU A 36 -2.423 6.976 2.037 1.00 0.00 O ATOM 528 CB GLU A 36 -2.271 7.994 4.715 1.00 0.00 C ATOM 529 CG GLU A 36 -0.764 7.822 4.801 1.00 0.00 C ATOM 530 CD GLU A 36 -0.089 8.953 5.554 1.00 0.00 C ATOM 531 OE1 GLU A 36 -0.470 10.121 5.337 1.00 0.00 O ATOM 532 OE2 GLU A 36 0.820 8.667 6.362 1.00 0.00 O ATOM 0 H GLU A 36 -4.701 8.184 3.273 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.266 9.826 3.590 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.628 8.457 5.635 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.737 7.011 4.650 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.538 6.877 5.294 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.351 7.764 3.794 1.00 0.00 H new ATOM 539 N VAL A 37 -1.727 8.991 1.318 1.00 0.00 N ATOM 540 CA VAL A 37 -1.255 8.490 0.032 1.00 0.00 C ATOM 541 C VAL A 37 0.109 7.825 0.168 1.00 0.00 C ATOM 542 O VAL A 37 1.066 8.436 0.647 1.00 0.00 O ATOM 543 CB VAL A 37 -1.162 9.621 -1.010 1.00 0.00 C ATOM 544 CG1 VAL A 37 -0.670 9.079 -2.344 1.00 0.00 C ATOM 545 CG2 VAL A 37 -2.508 10.311 -1.169 1.00 0.00 C ATOM 0 H VAL A 37 -1.598 9.994 1.453 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.982 7.752 -0.307 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.441 10.359 -0.657 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.611 9.892 -3.067 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.317 8.636 -2.215 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.364 8.321 -2.707 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.424 11.107 -1.909 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.252 9.586 -1.499 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.815 10.735 -0.213 1.00 0.00 H new ATOM 555 N LEU A 38 0.194 6.569 -0.256 1.00 0.00 N ATOM 556 CA LEU A 38 1.443 5.819 -0.183 1.00 0.00 C ATOM 557 C LEU A 38 1.943 5.456 -1.577 1.00 0.00 C ATOM 558 O LEU A 38 1.318 5.800 -2.580 1.00 0.00 O ATOM 559 CB LEU A 38 1.250 4.549 0.648 1.00 0.00 C ATOM 560 CG LEU A 38 0.502 4.720 1.971 1.00 0.00 C ATOM 561 CD1 LEU A 38 -0.246 3.446 2.330 1.00 0.00 C ATOM 562 CD2 LEU A 38 1.467 5.106 3.083 1.00 0.00 C ATOM 0 H LEU A 38 -0.588 6.048 -0.654 1.00 0.00 H new ATOM 0 HA LEU A 38 2.190 6.451 0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.713 3.820 0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.231 4.125 0.861 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.226 5.523 1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.772 3.587 3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.965 3.213 1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.463 2.624 2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.918 5.224 4.017 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.219 4.325 3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.957 6.046 2.830 1.00 0.00 H new ATOM 574 N GLU A 39 3.073 4.758 -1.632 1.00 0.00 N ATOM 575 CA GLU A 39 3.656 4.347 -2.904 1.00 0.00 C ATOM 576 C GLU A 39 4.056 2.875 -2.870 1.00 0.00 C ATOM 577 O GLU A 39 5.017 2.497 -2.199 1.00 0.00 O ATOM 578 CB GLU A 39 4.874 5.211 -3.235 1.00 0.00 C ATOM 579 CG GLU A 39 5.345 5.075 -4.673 1.00 0.00 C ATOM 580 CD GLU A 39 6.343 6.148 -5.065 1.00 0.00 C ATOM 581 OE1 GLU A 39 5.934 7.322 -5.186 1.00 0.00 O ATOM 582 OE2 GLU A 39 7.532 5.814 -5.250 1.00 0.00 O ATOM 0 H GLU A 39 3.603 4.465 -0.811 1.00 0.00 H new ATOM 0 HA GLU A 39 2.902 4.482 -3.680 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.632 6.255 -3.038 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.692 4.942 -2.567 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.799 4.094 -4.811 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.484 5.124 -5.339 1.00 0.00 H new ATOM 589 N VAL A 40 3.312 2.048 -3.597 1.00 0.00 N ATOM 590 CA VAL A 40 3.589 0.618 -3.651 1.00 0.00 C ATOM 591 C VAL A 40 4.830 0.329 -4.488 1.00 0.00 C ATOM 592 O VAL A 40 4.918 0.736 -5.647 1.00 0.00 O ATOM 593 CB VAL A 40 2.397 -0.163 -4.234 1.00 0.00 C ATOM 594 CG1 VAL A 40 2.656 -1.661 -4.171 1.00 0.00 C ATOM 595 CG2 VAL A 40 1.114 0.196 -3.499 1.00 0.00 C ATOM 0 H VAL A 40 2.512 2.344 -4.157 1.00 0.00 H new ATOM 0 HA VAL A 40 3.762 0.291 -2.626 1.00 0.00 H new ATOM 0 HB VAL A 40 2.280 0.117 -5.281 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.802 -2.196 -4.588 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.550 -1.900 -4.747 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.801 -1.962 -3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.282 -0.365 -3.924 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.218 -0.053 -2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.922 1.264 -3.603 1.00 0.00 H new ATOM 605 N ILE A 41 5.787 -0.376 -3.894 1.00 0.00 N ATOM 606 CA ILE A 41 7.023 -0.720 -4.586 1.00 0.00 C ATOM 607 C ILE A 41 7.100 -2.218 -4.860 1.00 0.00 C ATOM 608 O ILE A 41 7.725 -2.651 -5.828 1.00 0.00 O ATOM 609 CB ILE A 41 8.260 -0.293 -3.775 1.00 0.00 C ATOM 610 CG1 ILE A 41 8.104 -0.707 -2.310 1.00 0.00 C ATOM 611 CG2 ILE A 41 8.474 1.209 -3.887 1.00 0.00 C ATOM 612 CD1 ILE A 41 9.281 -0.317 -1.444 1.00 0.00 C ATOM 0 H ILE A 41 5.730 -0.720 -2.935 1.00 0.00 H new ATOM 0 HA ILE A 41 7.016 -0.180 -5.533 1.00 0.00 H new ATOM 0 HB ILE A 41 9.136 -0.796 -4.184 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.200 -0.252 -1.906 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.967 -1.787 -2.259 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.352 1.496 -3.308 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.625 1.478 -4.932 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.599 1.731 -3.501 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.102 -0.642 -0.419 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.185 -0.794 -1.823 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.405 0.766 -1.465 1.00 0.00 H new ATOM 624 N GLU A 42 6.460 -3.005 -4.001 1.00 0.00 N ATOM 625 CA GLU A 42 6.456 -4.456 -4.151 1.00 0.00 C ATOM 626 C GLU A 42 5.088 -5.035 -3.800 1.00 0.00 C ATOM 627 O GLU A 42 4.225 -4.338 -3.267 1.00 0.00 O ATOM 628 CB GLU A 42 7.532 -5.086 -3.264 1.00 0.00 C ATOM 629 CG GLU A 42 8.880 -5.226 -3.950 1.00 0.00 C ATOM 630 CD GLU A 42 8.852 -6.221 -5.094 1.00 0.00 C ATOM 631 OE1 GLU A 42 8.988 -7.434 -4.829 1.00 0.00 O ATOM 632 OE2 GLU A 42 8.694 -5.786 -6.254 1.00 0.00 O ATOM 0 H GLU A 42 5.938 -2.663 -3.194 1.00 0.00 H new ATOM 0 HA GLU A 42 6.673 -4.689 -5.193 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.652 -4.480 -2.366 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.194 -6.071 -2.941 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.194 -4.253 -4.327 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.625 -5.540 -3.219 1.00 0.00 H new ATOM 639 N ASP A 43 4.899 -6.315 -4.104 1.00 0.00 N ATOM 640 CA ASP A 43 3.638 -6.989 -3.821 1.00 0.00 C ATOM 641 C ASP A 43 3.701 -7.720 -2.484 1.00 0.00 C ATOM 642 O ASP A 43 3.242 -8.855 -2.363 1.00 0.00 O ATOM 643 CB ASP A 43 3.300 -7.976 -4.940 1.00 0.00 C ATOM 644 CG ASP A 43 4.538 -8.584 -5.569 1.00 0.00 C ATOM 645 OD1 ASP A 43 5.419 -9.048 -4.815 1.00 0.00 O ATOM 646 OD2 ASP A 43 4.625 -8.597 -6.814 1.00 0.00 O ATOM 0 H ASP A 43 5.603 -6.906 -4.546 1.00 0.00 H new ATOM 0 HA ASP A 43 2.855 -6.233 -3.765 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.671 -8.772 -4.541 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.719 -7.465 -5.708 1.00 0.00 H new ATOM 651 N GLY A 44 4.274 -7.061 -1.481 1.00 0.00 N ATOM 652 CA GLY A 44 4.387 -7.665 -0.166 1.00 0.00 C ATOM 653 C GLY A 44 4.856 -9.105 -0.227 1.00 0.00 C ATOM 654 O GLY A 44 5.392 -9.548 -1.243 1.00 0.00 O ATOM 0 H GLY A 44 4.662 -6.120 -1.556 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.084 -7.085 0.438 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.420 -7.622 0.334 1.00 0.00 H new ATOM 714 N TRP A 49 -1.609 -8.818 0.674 1.00 0.00 N ATOM 715 CA TRP A 49 -0.848 -7.693 1.205 1.00 0.00 C ATOM 716 C TRP A 49 0.184 -7.207 0.192 1.00 0.00 C ATOM 717 O TRP A 49 0.577 -7.946 -0.711 1.00 0.00 O ATOM 718 CB TRP A 49 -0.153 -8.091 2.508 1.00 0.00 C ATOM 719 CG TRP A 49 -1.099 -8.597 3.555 1.00 0.00 C ATOM 720 CD1 TRP A 49 -1.931 -9.675 3.455 1.00 0.00 C ATOM 721 CD2 TRP A 49 -1.311 -8.043 4.858 1.00 0.00 C ATOM 722 NE1 TRP A 49 -2.647 -9.825 4.618 1.00 0.00 N ATOM 723 CE2 TRP A 49 -2.285 -8.837 5.495 1.00 0.00 C ATOM 724 CE3 TRP A 49 -0.772 -6.955 5.549 1.00 0.00 C ATOM 725 CZ2 TRP A 49 -2.729 -8.575 6.788 1.00 0.00 C ATOM 726 CZ3 TRP A 49 -1.215 -6.696 6.833 1.00 0.00 C ATOM 727 CH2 TRP A 49 -2.185 -7.503 7.441 1.00 0.00 C ATOM 0 HA TRP A 49 -1.544 -6.878 1.406 1.00 0.00 H new ATOM 0 HB2 TRP A 49 0.588 -8.861 2.295 1.00 0.00 H new ATOM 0 HB3 TRP A 49 0.386 -7.229 2.902 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -2.014 -10.315 2.589 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -3.337 -10.554 4.799 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -0.023 -6.328 5.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -3.477 -9.196 7.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -0.806 -5.857 7.376 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -2.510 -7.274 8.445 1.00 0.00 H new ATOM 738 N VAL A 50 0.619 -5.961 0.348 1.00 0.00 N ATOM 739 CA VAL A 50 1.606 -5.378 -0.552 1.00 0.00 C ATOM 740 C VAL A 50 2.622 -4.538 0.215 1.00 0.00 C ATOM 741 O VAL A 50 2.451 -4.271 1.405 1.00 0.00 O ATOM 742 CB VAL A 50 0.937 -4.499 -1.625 1.00 0.00 C ATOM 743 CG1 VAL A 50 0.077 -5.347 -2.550 1.00 0.00 C ATOM 744 CG2 VAL A 50 0.111 -3.400 -0.974 1.00 0.00 C ATOM 0 H VAL A 50 0.303 -5.336 1.090 1.00 0.00 H new ATOM 0 HA VAL A 50 2.118 -6.208 -1.039 1.00 0.00 H new ATOM 0 HB VAL A 50 1.717 -4.029 -2.223 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.388 -4.709 -3.302 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.700 -6.094 -3.043 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.698 -5.847 -1.969 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.355 -2.788 -1.747 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.663 -3.847 -0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.758 -2.775 -0.358 1.00 0.00 H new ATOM 754 N LYS A 51 3.680 -4.125 -0.473 1.00 0.00 N ATOM 755 CA LYS A 51 4.724 -3.314 0.142 1.00 0.00 C ATOM 756 C LYS A 51 4.645 -1.869 -0.341 1.00 0.00 C ATOM 757 O LYS A 51 4.777 -1.595 -1.533 1.00 0.00 O ATOM 758 CB LYS A 51 6.104 -3.894 -0.177 1.00 0.00 C ATOM 759 CG LYS A 51 7.140 -3.627 0.901 1.00 0.00 C ATOM 760 CD LYS A 51 8.443 -4.353 0.614 1.00 0.00 C ATOM 761 CE LYS A 51 9.192 -4.682 1.896 1.00 0.00 C ATOM 762 NZ LYS A 51 10.642 -4.914 1.648 1.00 0.00 N ATOM 0 H LYS A 51 3.838 -4.339 -1.458 1.00 0.00 H new ATOM 0 HA LYS A 51 4.571 -3.328 1.221 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.012 -4.970 -0.322 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.456 -3.475 -1.119 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.327 -2.555 0.970 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.750 -3.945 1.868 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.235 -5.272 0.067 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.071 -3.735 -0.027 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.072 -3.865 2.607 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.755 -5.570 2.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.117 -5.135 2.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.758 -5.710 0.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.065 -4.058 1.235 1.00 0.00 H new ATOM 776 N ALA A 52 4.431 -0.948 0.594 1.00 0.00 N ATOM 777 CA ALA A 52 4.339 0.468 0.264 1.00 0.00 C ATOM 778 C ALA A 52 5.199 1.308 1.202 1.00 0.00 C ATOM 779 O ALA A 52 5.471 0.908 2.334 1.00 0.00 O ATOM 780 CB ALA A 52 2.890 0.930 0.319 1.00 0.00 C ATOM 0 H ALA A 52 4.318 -1.158 1.586 1.00 0.00 H new ATOM 0 HA ALA A 52 4.714 0.604 -0.750 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.836 1.990 0.070 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.299 0.359 -0.397 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.496 0.773 1.323 1.00 0.00 H new ATOM 786 N ARG A 53 5.625 2.472 0.724 1.00 0.00 N ATOM 787 CA ARG A 53 6.457 3.367 1.520 1.00 0.00 C ATOM 788 C ARG A 53 5.782 4.724 1.695 1.00 0.00 C ATOM 789 O ARG A 53 5.402 5.370 0.720 1.00 0.00 O ATOM 790 CB ARG A 53 7.825 3.547 0.861 1.00 0.00 C ATOM 791 CG ARG A 53 8.774 4.427 1.658 1.00 0.00 C ATOM 792 CD ARG A 53 10.053 4.710 0.886 1.00 0.00 C ATOM 793 NE ARG A 53 11.051 3.661 1.076 1.00 0.00 N ATOM 794 CZ ARG A 53 12.126 3.521 0.309 1.00 0.00 C ATOM 795 NH1 ARG A 53 12.342 4.360 -0.695 1.00 0.00 N ATOM 796 NH2 ARG A 53 12.989 2.541 0.545 1.00 0.00 N ATOM 0 H ARG A 53 5.408 2.818 -0.211 1.00 0.00 H new ATOM 0 HA ARG A 53 6.592 2.918 2.504 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.283 2.568 0.720 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.687 3.980 -0.130 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.280 5.367 1.903 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.018 3.939 2.602 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.823 4.803 -0.175 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.466 5.666 1.207 1.00 0.00 H new ATOM 0 HE ARG A 53 10.915 2.999 1.840 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.682 5.115 -0.880 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.169 4.250 -1.283 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.827 1.894 1.317 1.00 0.00 H new ATOM 0 HH22 ARG A 53 13.814 2.435 -0.045 1.00 0.00 H new ATOM 810 N ASN A 54 5.635 5.149 2.946 1.00 0.00 N ATOM 811 CA ASN A 54 5.005 6.429 3.250 1.00 0.00 C ATOM 812 C ASN A 54 6.006 7.573 3.118 1.00 0.00 C ATOM 813 O ASN A 54 7.194 7.350 2.884 1.00 0.00 O ATOM 814 CB ASN A 54 4.418 6.410 4.662 1.00 0.00 C ATOM 815 CG ASN A 54 5.281 5.631 5.636 1.00 0.00 C ATOM 816 OD1 ASN A 54 6.421 5.280 5.330 1.00 0.00 O ATOM 817 ND2 ASN A 54 4.739 5.356 6.817 1.00 0.00 N ATOM 0 H ASN A 54 5.944 4.626 3.765 1.00 0.00 H new ATOM 0 HA ASN A 54 4.201 6.589 2.532 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.305 7.434 5.019 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.421 5.971 4.632 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.271 4.834 7.513 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.791 5.667 7.028 1.00 0.00 H new ATOM 824 N LYS A 55 5.518 8.800 3.271 1.00 0.00 N ATOM 825 CA LYS A 55 6.368 9.980 3.171 1.00 0.00 C ATOM 826 C LYS A 55 7.564 9.870 4.112 1.00 0.00 C ATOM 827 O LYS A 55 8.696 10.169 3.731 1.00 0.00 O ATOM 828 CB LYS A 55 5.565 11.241 3.496 1.00 0.00 C ATOM 829 CG LYS A 55 5.071 11.295 4.932 1.00 0.00 C ATOM 830 CD LYS A 55 3.839 12.174 5.065 1.00 0.00 C ATOM 831 CE LYS A 55 4.216 13.629 5.300 1.00 0.00 C ATOM 832 NZ LYS A 55 4.528 13.897 6.731 1.00 0.00 N ATOM 0 H LYS A 55 4.537 9.003 3.465 1.00 0.00 H new ATOM 0 HA LYS A 55 6.737 10.045 2.148 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.184 12.116 3.301 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.709 11.300 2.824 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.839 10.287 5.276 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.863 11.677 5.576 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.235 12.095 4.161 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.224 11.818 5.892 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.080 13.884 4.686 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.397 14.273 4.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.780 14.899 6.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.696 13.678 7.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.327 13.301 7.030 1.00 0.00 H new ATOM 846 N VAL A 56 7.306 9.436 5.342 1.00 0.00 N ATOM 847 CA VAL A 56 8.362 9.284 6.336 1.00 0.00 C ATOM 848 C VAL A 56 9.476 8.380 5.820 1.00 0.00 C ATOM 849 O VAL A 56 10.630 8.507 6.226 1.00 0.00 O ATOM 850 CB VAL A 56 7.813 8.703 7.653 1.00 0.00 C ATOM 851 CG1 VAL A 56 7.005 9.751 8.403 1.00 0.00 C ATOM 852 CG2 VAL A 56 6.972 7.465 7.379 1.00 0.00 C ATOM 0 H VAL A 56 6.375 9.184 5.674 1.00 0.00 H new ATOM 0 HA VAL A 56 8.764 10.279 6.526 1.00 0.00 H new ATOM 0 HB VAL A 56 8.655 8.411 8.280 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.625 9.323 9.331 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.641 10.606 8.632 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.169 10.077 7.785 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.592 7.068 8.320 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.135 7.729 6.733 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.585 6.710 6.888 1.00 0.00 H new ATOM 862 N GLY A 57 9.122 7.467 4.920 1.00 0.00 N ATOM 863 CA GLY A 57 10.103 6.556 4.363 1.00 0.00 C ATOM 864 C GLY A 57 10.014 5.168 4.965 1.00 0.00 C ATOM 865 O GLY A 57 10.885 4.329 4.738 1.00 0.00 O ATOM 0 H GLY A 57 8.173 7.343 4.567 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.962 6.490 3.284 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.103 6.957 4.530 1.00 0.00 H new ATOM 869 N GLN A 58 8.959 4.927 5.737 1.00 0.00 N ATOM 870 CA GLN A 58 8.761 3.631 6.377 1.00 0.00 C ATOM 871 C GLN A 58 8.122 2.639 5.410 1.00 0.00 C ATOM 872 O GLN A 58 7.126 2.949 4.755 1.00 0.00 O ATOM 873 CB GLN A 58 7.888 3.782 7.623 1.00 0.00 C ATOM 874 CG GLN A 58 8.679 4.071 8.889 1.00 0.00 C ATOM 875 CD GLN A 58 7.850 3.902 10.147 1.00 0.00 C ATOM 876 OE1 GLN A 58 6.854 3.177 10.155 1.00 0.00 O ATOM 877 NE2 GLN A 58 8.257 4.570 11.219 1.00 0.00 N ATOM 0 H GLN A 58 8.229 5.611 5.934 1.00 0.00 H new ATOM 0 HA GLN A 58 9.737 3.246 6.671 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.173 4.588 7.460 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.311 2.868 7.765 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.541 3.405 8.934 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.065 5.089 8.847 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.088 5.159 11.168 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.739 4.494 12.094 1.00 0.00 H new ATOM 886 N VAL A 59 8.701 1.446 5.326 1.00 0.00 N ATOM 887 CA VAL A 59 8.187 0.408 4.440 1.00 0.00 C ATOM 888 C VAL A 59 7.674 -0.788 5.234 1.00 0.00 C ATOM 889 O VAL A 59 8.391 -1.353 6.058 1.00 0.00 O ATOM 890 CB VAL A 59 9.267 -0.071 3.451 1.00 0.00 C ATOM 891 CG1 VAL A 59 8.690 -1.095 2.485 1.00 0.00 C ATOM 892 CG2 VAL A 59 9.861 1.110 2.698 1.00 0.00 C ATOM 0 H VAL A 59 9.526 1.174 5.860 1.00 0.00 H new ATOM 0 HA VAL A 59 7.362 0.849 3.880 1.00 0.00 H new ATOM 0 HB VAL A 59 10.066 -0.551 4.016 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.467 -1.422 1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.317 -1.953 3.044 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.871 -0.645 1.924 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.622 0.753 2.004 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.074 1.621 2.143 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.313 1.803 3.407 1.00 0.00 H new ATOM 902 N GLY A 60 6.426 -1.169 4.979 1.00 0.00 N ATOM 903 CA GLY A 60 5.837 -2.297 5.678 1.00 0.00 C ATOM 904 C GLY A 60 4.802 -3.021 4.841 1.00 0.00 C ATOM 905 O GLY A 60 4.666 -2.759 3.646 1.00 0.00 O ATOM 0 H GLY A 60 5.812 -0.717 4.301 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.624 -2.996 5.962 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.374 -1.947 6.601 1.00 0.00 H new ATOM 909 N TYR A 61 4.071 -3.936 5.469 1.00 0.00 N ATOM 910 CA TYR A 61 3.046 -4.704 4.773 1.00 0.00 C ATOM 911 C TYR A 61 1.651 -4.202 5.132 1.00 0.00 C ATOM 912 O TYR A 61 1.328 -4.016 6.306 1.00 0.00 O ATOM 913 CB TYR A 61 3.169 -6.189 5.117 1.00 0.00 C ATOM 914 CG TYR A 61 4.511 -6.786 4.754 1.00 0.00 C ATOM 915 CD1 TYR A 61 5.133 -6.465 3.554 1.00 0.00 C ATOM 916 CD2 TYR A 61 5.155 -7.669 5.611 1.00 0.00 C ATOM 917 CE1 TYR A 61 6.358 -7.009 3.218 1.00 0.00 C ATOM 918 CE2 TYR A 61 6.381 -8.216 5.284 1.00 0.00 C ATOM 919 CZ TYR A 61 6.978 -7.883 4.086 1.00 0.00 C ATOM 920 OH TYR A 61 8.199 -8.425 3.755 1.00 0.00 O ATOM 0 H TYR A 61 4.170 -4.163 6.458 1.00 0.00 H new ATOM 0 HA TYR A 61 3.196 -4.572 3.701 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.999 -6.321 6.186 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.384 -6.740 4.599 1.00 0.00 H new ATOM 0 HD1 TYR A 61 4.651 -5.779 2.873 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.689 -7.933 6.549 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.828 -6.751 2.280 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.869 -8.900 5.962 1.00 0.00 H new ATOM 0 HH TYR A 61 8.499 -9.019 4.474 1.00 0.00 H new ATOM 930 N VAL A 62 0.827 -3.984 4.113 1.00 0.00 N ATOM 931 CA VAL A 62 -0.535 -3.504 4.319 1.00 0.00 C ATOM 932 C VAL A 62 -1.517 -4.229 3.406 1.00 0.00 C ATOM 933 O VAL A 62 -1.191 -4.612 2.282 1.00 0.00 O ATOM 934 CB VAL A 62 -0.640 -1.988 4.069 1.00 0.00 C ATOM 935 CG1 VAL A 62 0.241 -1.223 5.045 1.00 0.00 C ATOM 936 CG2 VAL A 62 -0.268 -1.659 2.631 1.00 0.00 C ATOM 0 H VAL A 62 1.078 -4.132 3.136 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.790 -3.711 5.358 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.673 -1.681 4.233 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.154 -0.154 4.853 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.077 -1.435 6.066 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.279 -1.531 4.917 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.348 -0.584 2.472 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.756 -1.980 2.437 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.945 -2.178 1.952 1.00 0.00 H new ATOM 946 N PRO A 63 -2.750 -4.421 3.897 1.00 0.00 N ATOM 947 CA PRO A 63 -3.807 -5.100 3.141 1.00 0.00 C ATOM 948 C PRO A 63 -4.300 -4.269 1.961 1.00 0.00 C ATOM 949 O PRO A 63 -5.017 -3.286 2.140 1.00 0.00 O ATOM 950 CB PRO A 63 -4.923 -5.278 4.173 1.00 0.00 C ATOM 951 CG PRO A 63 -4.697 -4.192 5.167 1.00 0.00 C ATOM 952 CD PRO A 63 -3.209 -3.990 5.228 1.00 0.00 C ATOM 0 HA PRO A 63 -3.459 -6.036 2.704 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.907 -5.193 3.711 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.875 -6.261 4.642 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.203 -3.275 4.865 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.094 -4.468 6.144 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.953 -2.949 5.423 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.755 -4.584 6.021 1.00 0.00 H new ATOM 960 N GLU A 64 -3.911 -4.672 0.755 1.00 0.00 N ATOM 961 CA GLU A 64 -4.314 -3.963 -0.454 1.00 0.00 C ATOM 962 C GLU A 64 -5.783 -3.558 -0.382 1.00 0.00 C ATOM 963 O GLU A 64 -6.152 -2.446 -0.762 1.00 0.00 O ATOM 964 CB GLU A 64 -4.074 -4.836 -1.687 1.00 0.00 C ATOM 965 CG GLU A 64 -3.838 -4.040 -2.960 1.00 0.00 C ATOM 966 CD GLU A 64 -4.290 -4.780 -4.204 1.00 0.00 C ATOM 967 OE1 GLU A 64 -5.493 -5.102 -4.299 1.00 0.00 O ATOM 968 OE2 GLU A 64 -3.440 -5.037 -5.082 1.00 0.00 O ATOM 0 H GLU A 64 -3.318 -5.485 0.589 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.709 -3.060 -0.534 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.212 -5.478 -1.505 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.934 -5.490 -1.832 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.369 -3.090 -2.894 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.777 -3.806 -3.046 1.00 0.00 H new ATOM 975 N LYS A 65 -6.619 -4.467 0.109 1.00 0.00 N ATOM 976 CA LYS A 65 -8.048 -4.206 0.232 1.00 0.00 C ATOM 977 C LYS A 65 -8.301 -2.789 0.738 1.00 0.00 C ATOM 978 O LYS A 65 -9.167 -2.081 0.224 1.00 0.00 O ATOM 979 CB LYS A 65 -8.692 -5.220 1.180 1.00 0.00 C ATOM 980 CG LYS A 65 -8.723 -6.635 0.628 1.00 0.00 C ATOM 981 CD LYS A 65 -9.753 -7.491 1.345 1.00 0.00 C ATOM 982 CE LYS A 65 -9.395 -7.682 2.811 1.00 0.00 C ATOM 983 NZ LYS A 65 -8.131 -8.451 2.977 1.00 0.00 N ATOM 0 H LYS A 65 -6.331 -5.392 0.428 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.497 -4.305 -0.756 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.147 -5.219 2.124 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.711 -4.902 1.400 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.951 -6.606 -0.437 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.737 -7.088 0.731 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.734 -7.023 1.267 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.823 -8.463 0.857 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.293 -6.708 3.290 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.207 -8.203 3.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.034 -8.750 3.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.152 -9.290 2.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.323 -7.851 2.716 1.00 0.00 H new ATOM 997 N TYR A 66 -7.539 -2.382 1.747 1.00 0.00 N ATOM 998 CA TYR A 66 -7.681 -1.050 2.323 1.00 0.00 C ATOM 999 C TYR A 66 -7.067 0.007 1.409 1.00 0.00 C ATOM 1000 O TYR A 66 -7.473 1.170 1.425 1.00 0.00 O ATOM 1001 CB TYR A 66 -7.020 -0.994 3.701 1.00 0.00 C ATOM 1002 CG TYR A 66 -7.796 -1.724 4.774 1.00 0.00 C ATOM 1003 CD1 TYR A 66 -8.163 -3.054 4.609 1.00 0.00 C ATOM 1004 CD2 TYR A 66 -8.162 -1.085 5.952 1.00 0.00 C ATOM 1005 CE1 TYR A 66 -8.872 -3.726 5.587 1.00 0.00 C ATOM 1006 CE2 TYR A 66 -8.869 -1.749 6.935 1.00 0.00 C ATOM 1007 CZ TYR A 66 -9.222 -3.069 6.748 1.00 0.00 C ATOM 1008 OH TYR A 66 -9.929 -3.733 7.724 1.00 0.00 O ATOM 0 H TYR A 66 -6.817 -2.955 2.183 1.00 0.00 H new ATOM 0 HA TYR A 66 -8.745 -0.839 2.429 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -6.020 -1.422 3.633 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.901 0.049 3.996 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -7.890 -3.571 3.701 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.889 -0.051 6.102 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.150 -4.760 5.443 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -9.144 -1.237 7.845 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.094 -3.128 8.477 1.00 0.00 H new ATOM 1018 N LEU A 67 -6.088 -0.406 0.613 1.00 0.00 N ATOM 1019 CA LEU A 67 -5.417 0.503 -0.310 1.00 0.00 C ATOM 1020 C LEU A 67 -6.292 0.787 -1.527 1.00 0.00 C ATOM 1021 O LEU A 67 -7.005 -0.092 -2.009 1.00 0.00 O ATOM 1022 CB LEU A 67 -4.078 -0.087 -0.756 1.00 0.00 C ATOM 1023 CG LEU A 67 -3.043 -0.311 0.346 1.00 0.00 C ATOM 1024 CD1 LEU A 67 -1.759 -0.882 -0.235 1.00 0.00 C ATOM 1025 CD2 LEU A 67 -2.763 0.988 1.088 1.00 0.00 C ATOM 0 H LEU A 67 -5.741 -1.365 0.588 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.236 1.443 0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.270 -1.042 -1.246 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.644 0.575 -1.505 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.448 -1.032 1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.034 -1.035 0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.971 -1.835 -0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.350 -0.186 -0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.024 0.809 1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.379 1.731 0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.685 1.356 1.539 1.00 0.00 H new ATOM 1037 N GLN A 68 -6.229 2.020 -2.020 1.00 0.00 N ATOM 1038 CA GLN A 68 -7.014 2.419 -3.182 1.00 0.00 C ATOM 1039 C GLN A 68 -6.115 2.658 -4.390 1.00 0.00 C ATOM 1040 O GLN A 68 -5.628 3.768 -4.604 1.00 0.00 O ATOM 1041 CB GLN A 68 -7.819 3.682 -2.871 1.00 0.00 C ATOM 1042 CG GLN A 68 -8.893 3.989 -3.902 1.00 0.00 C ATOM 1043 CD GLN A 68 -9.473 5.381 -3.745 1.00 0.00 C ATOM 1044 OE1 GLN A 68 -10.683 5.547 -3.587 1.00 0.00 O ATOM 1045 NE2 GLN A 68 -8.611 6.390 -3.786 1.00 0.00 N ATOM 0 H GLN A 68 -5.643 2.759 -1.633 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.702 1.608 -3.420 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.287 3.573 -1.893 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.137 4.530 -2.805 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.471 3.886 -4.902 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.694 3.254 -3.817 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -7.617 6.206 -3.919 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.943 7.349 -3.685 1.00 0.00 H new ATOM 1054 N PHE A 69 -5.900 1.610 -5.178 1.00 0.00 N ATOM 1055 CA PHE A 69 -5.058 1.705 -6.365 1.00 0.00 C ATOM 1056 C PHE A 69 -5.658 2.672 -7.381 1.00 0.00 C ATOM 1057 O PHE A 69 -6.865 2.918 -7.404 1.00 0.00 O ATOM 1058 CB PHE A 69 -4.878 0.326 -7.001 1.00 0.00 C ATOM 1059 CG PHE A 69 -3.813 -0.504 -6.343 1.00 0.00 C ATOM 1060 CD1 PHE A 69 -3.690 -0.530 -4.963 1.00 0.00 C ATOM 1061 CD2 PHE A 69 -2.933 -1.257 -7.105 1.00 0.00 C ATOM 1062 CE1 PHE A 69 -2.711 -1.293 -4.354 1.00 0.00 C ATOM 1063 CE2 PHE A 69 -1.953 -2.021 -6.502 1.00 0.00 C ATOM 1064 CZ PHE A 69 -1.840 -2.038 -5.125 1.00 0.00 C ATOM 0 H PHE A 69 -6.297 0.685 -5.016 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.084 2.085 -6.059 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.825 -0.212 -6.957 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.631 0.451 -8.055 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.367 0.053 -4.356 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.015 -1.246 -8.182 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.627 -1.307 -3.277 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -1.275 -2.605 -7.107 1.00 0.00 H new ATOM 0 HZ PHE A 69 -1.072 -2.633 -4.652 1.00 0.00 H new ATOM 1074 N PRO A 70 -4.797 3.235 -8.241 1.00 0.00 N ATOM 1075 CA PRO A 70 -5.219 4.185 -9.276 1.00 0.00 C ATOM 1076 C PRO A 70 -6.035 3.517 -10.377 1.00 0.00 C ATOM 1077 O PRO A 70 -5.833 2.343 -10.690 1.00 0.00 O ATOM 1078 CB PRO A 70 -3.895 4.710 -9.836 1.00 0.00 C ATOM 1079 CG PRO A 70 -2.910 3.627 -9.561 1.00 0.00 C ATOM 1080 CD PRO A 70 -3.346 2.989 -8.271 1.00 0.00 C ATOM 0 HA PRO A 70 -5.867 4.964 -8.875 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.970 4.914 -10.904 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.603 5.642 -9.353 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -2.895 2.898 -10.371 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.901 4.030 -9.476 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.119 1.923 -8.253 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.845 3.436 -7.412 1.00 0.00 H new