USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 535 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 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -56:sc= 0.332 USER MOD Single : A 20 CYS SG : rot 149:sc= 1.25 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -138:sc=-0.00691 (180deg=-0.273) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= 0.28 K(o=0.28,f=-3.4!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 70:sc= -0.183 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -1.03 K(o=-1,f=-3!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0649 X(o=-0.065,f=-0.039) USER MOD Single : A 58 TYR OH : rot 30:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -138:sc= -0.0101 (180deg=-0.212) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -116:sc= -0.0162 (180deg=-0.21) USER MOD ----------------------------------------------------------------- ATOM 136 N PRO A 9 2.173 15.897 0.785 1.00 0.00 N ATOM 137 CA PRO A 9 1.777 14.636 1.462 1.00 0.00 C ATOM 138 C PRO A 9 0.484 14.832 2.260 1.00 0.00 C ATOM 139 O PRO A 9 0.513 15.004 3.464 1.00 0.00 O ATOM 140 CB PRO A 9 2.948 14.340 2.394 1.00 0.00 C ATOM 141 CG PRO A 9 3.583 15.668 2.653 1.00 0.00 C ATOM 142 CD PRO A 9 3.339 16.522 1.436 1.00 0.00 C ATOM 0 HA PRO A 9 1.580 13.824 0.762 1.00 0.00 H new ATOM 0 HB2 PRO A 9 2.608 13.878 3.321 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.654 13.648 1.934 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.155 16.133 3.541 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.652 15.555 2.836 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.135 17.557 1.710 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.206 16.532 0.776 1.00 0.00 H new ATOM 150 N LYS A 10 -0.647 14.806 1.597 1.00 0.00 N ATOM 151 CA LYS A 10 -1.937 14.986 2.315 1.00 0.00 C ATOM 152 C LYS A 10 -2.711 13.665 2.382 1.00 0.00 C ATOM 153 O LYS A 10 -3.923 13.646 2.475 1.00 0.00 O ATOM 154 CB LYS A 10 -2.706 16.047 1.513 1.00 0.00 C ATOM 155 CG LYS A 10 -3.038 15.523 0.106 1.00 0.00 C ATOM 156 CD LYS A 10 -2.670 16.577 -0.943 1.00 0.00 C ATOM 157 CE LYS A 10 -3.313 16.210 -2.283 1.00 0.00 C ATOM 158 NZ LYS A 10 -2.393 15.207 -2.888 1.00 0.00 N ATOM 0 H LYS A 10 -0.727 14.668 0.590 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.788 15.300 3.348 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.626 16.311 2.036 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.110 16.957 1.437 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.491 14.600 -0.086 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.100 15.285 0.038 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.012 17.561 -0.621 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.587 16.635 -1.051 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.311 15.796 -2.142 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.419 17.086 -2.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.766 14.906 -3.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.452 15.632 -3.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.317 14.382 -2.259 1.00 0.00 H new ATOM 172 N ARG A 11 -2.010 12.566 2.332 1.00 0.00 N ATOM 173 CA ARG A 11 -2.683 11.233 2.389 1.00 0.00 C ATOM 174 C ARG A 11 -1.660 10.137 2.731 1.00 0.00 C ATOM 175 O ARG A 11 -0.985 9.636 1.853 1.00 0.00 O ATOM 176 CB ARG A 11 -3.253 11.017 0.987 1.00 0.00 C ATOM 177 CG ARG A 11 -4.511 10.150 1.077 1.00 0.00 C ATOM 178 CD ARG A 11 -5.704 11.020 1.477 1.00 0.00 C ATOM 179 NE ARG A 11 -6.560 10.137 2.316 1.00 0.00 N ATOM 180 CZ ARG A 11 -7.859 10.195 2.210 1.00 0.00 C ATOM 181 NH1 ARG A 11 -8.464 11.353 2.232 1.00 0.00 N ATOM 182 NH2 ARG A 11 -8.555 9.099 2.084 1.00 0.00 N ATOM 0 H ARG A 11 -0.994 12.532 2.254 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.458 11.193 3.154 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.491 11.976 0.528 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.511 10.535 0.351 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.703 9.669 0.118 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.366 9.355 1.808 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.382 11.901 2.032 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.244 11.376 0.600 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.131 9.486 2.974 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.921 12.210 2.332 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.480 11.399 2.149 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.084 8.195 2.068 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.571 9.146 2.001 1.00 0.00 H new ATOM 196 N PRO A 12 -1.567 9.796 3.999 1.00 0.00 N ATOM 197 CA PRO A 12 -0.606 8.751 4.425 1.00 0.00 C ATOM 198 C PRO A 12 -1.125 7.349 4.049 1.00 0.00 C ATOM 199 O PRO A 12 -2.130 6.913 4.572 1.00 0.00 O ATOM 200 CB PRO A 12 -0.546 8.909 5.940 1.00 0.00 C ATOM 201 CG PRO A 12 -1.845 9.539 6.321 1.00 0.00 C ATOM 202 CD PRO A 12 -2.330 10.336 5.137 1.00 0.00 C ATOM 0 HA PRO A 12 0.369 8.855 3.948 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.417 7.945 6.431 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.296 9.533 6.238 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.575 8.777 6.594 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.717 10.184 7.190 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.403 10.216 4.989 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.144 11.402 5.271 1.00 0.00 H new ATOM 210 N PRO A 13 -0.424 6.678 3.156 1.00 0.00 N ATOM 211 CA PRO A 13 -0.846 5.322 2.739 1.00 0.00 C ATOM 212 C PRO A 13 -0.381 4.288 3.769 1.00 0.00 C ATOM 213 O PRO A 13 0.546 4.529 4.520 1.00 0.00 O ATOM 214 CB PRO A 13 -0.138 5.121 1.402 1.00 0.00 C ATOM 215 CG PRO A 13 1.058 6.025 1.438 1.00 0.00 C ATOM 216 CD PRO A 13 0.799 7.105 2.461 1.00 0.00 C ATOM 0 HA PRO A 13 -1.927 5.210 2.659 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.161 4.081 1.269 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.795 5.373 0.569 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.954 5.461 1.698 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.232 6.465 0.456 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.635 7.202 3.154 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.665 8.077 1.985 1.00 0.00 H new ATOM 224 N SER A 14 -1.020 3.145 3.816 1.00 0.00 N ATOM 225 CA SER A 14 -0.616 2.102 4.806 1.00 0.00 C ATOM 226 C SER A 14 -0.945 0.697 4.286 1.00 0.00 C ATOM 227 O SER A 14 -1.647 -0.061 4.926 1.00 0.00 O ATOM 228 CB SER A 14 -1.433 2.416 6.060 1.00 0.00 C ATOM 229 OG SER A 14 -1.049 1.530 7.104 1.00 0.00 O ATOM 0 H SER A 14 -1.802 2.891 3.213 1.00 0.00 H new ATOM 0 HA SER A 14 0.457 2.115 4.997 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.269 3.449 6.366 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.497 2.310 5.851 1.00 0.00 H new ATOM 0 HG SER A 14 -1.159 0.604 6.804 1.00 0.00 H new ATOM 235 N ALA A 15 -0.449 0.345 3.118 1.00 0.00 N ATOM 236 CA ALA A 15 -0.724 -1.008 2.525 1.00 0.00 C ATOM 237 C ALA A 15 -2.200 -1.126 2.144 1.00 0.00 C ATOM 238 O ALA A 15 -2.543 -1.076 0.978 1.00 0.00 O ATOM 239 CB ALA A 15 -0.341 -2.055 3.587 1.00 0.00 C ATOM 0 H ALA A 15 0.142 0.946 2.544 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.143 -1.164 1.616 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.526 -3.055 3.195 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.715 -1.952 3.835 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.941 -1.900 4.484 1.00 0.00 H new ATOM 245 N PHE A 16 -3.075 -1.293 3.108 1.00 0.00 N ATOM 246 CA PHE A 16 -4.541 -1.425 2.801 1.00 0.00 C ATOM 247 C PHE A 16 -5.010 -0.334 1.831 1.00 0.00 C ATOM 248 O PHE A 16 -5.626 -0.616 0.819 1.00 0.00 O ATOM 249 CB PHE A 16 -5.241 -1.257 4.147 1.00 0.00 C ATOM 250 CG PHE A 16 -6.663 -1.752 4.031 1.00 0.00 C ATOM 251 CD1 PHE A 16 -6.918 -3.125 3.931 1.00 0.00 C ATOM 252 CD2 PHE A 16 -7.724 -0.840 4.016 1.00 0.00 C ATOM 253 CE1 PHE A 16 -8.235 -3.586 3.817 1.00 0.00 C ATOM 254 CE2 PHE A 16 -9.042 -1.301 3.901 1.00 0.00 C ATOM 255 CZ PHE A 16 -9.296 -2.673 3.801 1.00 0.00 C ATOM 0 H PHE A 16 -2.838 -1.344 4.099 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.762 -2.380 2.325 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.711 -1.815 4.919 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.231 -0.209 4.448 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -6.099 -3.829 3.942 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -7.527 0.219 4.093 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -8.432 -4.645 3.741 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -9.861 -0.598 3.890 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.312 -3.028 3.711 1.00 0.00 H new ATOM 265 N PHE A 17 -4.716 0.908 2.129 1.00 0.00 N ATOM 266 CA PHE A 17 -5.135 2.021 1.220 1.00 0.00 C ATOM 267 C PHE A 17 -4.553 1.794 -0.178 1.00 0.00 C ATOM 268 O PHE A 17 -5.215 1.996 -1.179 1.00 0.00 O ATOM 269 CB PHE A 17 -4.555 3.293 1.841 1.00 0.00 C ATOM 270 CG PHE A 17 -5.093 4.500 1.112 1.00 0.00 C ATOM 271 CD1 PHE A 17 -6.354 5.014 1.441 1.00 0.00 C ATOM 272 CD2 PHE A 17 -4.332 5.106 0.105 1.00 0.00 C ATOM 273 CE1 PHE A 17 -6.853 6.132 0.764 1.00 0.00 C ATOM 274 CE2 PHE A 17 -4.832 6.226 -0.574 1.00 0.00 C ATOM 275 CZ PHE A 17 -6.091 6.738 -0.244 1.00 0.00 C ATOM 0 H PHE A 17 -4.204 1.199 2.962 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.218 2.084 1.116 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.817 3.347 2.898 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.467 3.275 1.783 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.941 4.547 2.218 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.360 4.711 -0.149 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.825 6.528 1.018 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.245 6.693 -1.351 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.476 7.601 -0.766 1.00 0.00 H new ATOM 285 N LEU A 18 -3.316 1.372 -0.248 1.00 0.00 N ATOM 286 CA LEU A 18 -2.672 1.123 -1.576 1.00 0.00 C ATOM 287 C LEU A 18 -3.459 0.060 -2.347 1.00 0.00 C ATOM 288 O LEU A 18 -3.750 0.217 -3.517 1.00 0.00 O ATOM 289 CB LEU A 18 -1.257 0.603 -1.268 1.00 0.00 C ATOM 290 CG LEU A 18 -0.482 1.590 -0.378 1.00 0.00 C ATOM 291 CD1 LEU A 18 0.943 1.071 -0.178 1.00 0.00 C ATOM 292 CD2 LEU A 18 -0.421 2.968 -1.047 1.00 0.00 C ATOM 0 H LEU A 18 -2.721 1.188 0.560 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.646 2.027 -2.185 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.323 -0.365 -0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.714 0.446 -2.200 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.990 1.679 0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.498 1.766 0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.910 0.093 0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.438 0.984 -1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.130 3.658 -0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.083 2.883 -2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.433 3.343 -1.200 1.00 0.00 H new ATOM 304 N PHE A 19 -3.801 -1.020 -1.693 1.00 0.00 N ATOM 305 CA PHE A 19 -4.566 -2.110 -2.374 1.00 0.00 C ATOM 306 C PHE A 19 -5.994 -1.647 -2.677 1.00 0.00 C ATOM 307 O PHE A 19 -6.467 -1.760 -3.791 1.00 0.00 O ATOM 308 CB PHE A 19 -4.582 -3.271 -1.379 1.00 0.00 C ATOM 309 CG PHE A 19 -5.239 -4.474 -2.013 1.00 0.00 C ATOM 310 CD1 PHE A 19 -4.488 -5.337 -2.819 1.00 0.00 C ATOM 311 CD2 PHE A 19 -6.598 -4.727 -1.794 1.00 0.00 C ATOM 312 CE1 PHE A 19 -5.095 -6.452 -3.407 1.00 0.00 C ATOM 313 CE2 PHE A 19 -7.206 -5.843 -2.381 1.00 0.00 C ATOM 314 CZ PHE A 19 -6.454 -6.705 -3.188 1.00 0.00 C ATOM 0 H PHE A 19 -3.583 -1.196 -0.712 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.114 -2.394 -3.324 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.564 -3.517 -1.076 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.122 -2.983 -0.477 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.439 -5.142 -2.987 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.178 -4.061 -1.172 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.515 -7.117 -4.030 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -8.254 -6.039 -2.211 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.923 -7.566 -3.642 1.00 0.00 H new ATOM 324 N CYS A 20 -6.683 -1.132 -1.689 1.00 0.00 N ATOM 325 CA CYS A 20 -8.091 -0.664 -1.910 1.00 0.00 C ATOM 326 C CYS A 20 -8.149 0.372 -3.037 1.00 0.00 C ATOM 327 O CYS A 20 -8.893 0.224 -3.988 1.00 0.00 O ATOM 328 CB CYS A 20 -8.515 -0.030 -0.583 1.00 0.00 C ATOM 329 SG CYS A 20 -9.140 -1.316 0.528 1.00 0.00 S ATOM 0 H CYS A 20 -6.333 -1.014 -0.738 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.747 -1.483 -2.203 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.668 0.481 -0.125 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -9.285 0.722 -0.756 1.00 0.00 H new ATOM 0 HG CYS A 20 -8.888 -0.985 1.760 1.00 0.00 H new ATOM 335 N SER A 21 -7.371 1.421 -2.937 1.00 0.00 N ATOM 336 CA SER A 21 -7.379 2.476 -4.000 1.00 0.00 C ATOM 337 C SER A 21 -7.031 1.868 -5.364 1.00 0.00 C ATOM 338 O SER A 21 -7.484 2.336 -6.392 1.00 0.00 O ATOM 339 CB SER A 21 -6.307 3.482 -3.579 1.00 0.00 C ATOM 340 OG SER A 21 -6.291 4.564 -4.500 1.00 0.00 O ATOM 0 H SER A 21 -6.729 1.594 -2.164 1.00 0.00 H new ATOM 0 HA SER A 21 -8.359 2.941 -4.100 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.511 3.849 -2.573 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.330 2.999 -3.550 1.00 0.00 H new ATOM 0 HG SER A 21 -5.606 5.212 -4.232 1.00 0.00 H new ATOM 346 N GLU A 22 -6.228 0.835 -5.378 1.00 0.00 N ATOM 347 CA GLU A 22 -5.841 0.198 -6.672 1.00 0.00 C ATOM 348 C GLU A 22 -6.873 -0.854 -7.088 1.00 0.00 C ATOM 349 O GLU A 22 -7.068 -1.110 -8.262 1.00 0.00 O ATOM 350 CB GLU A 22 -4.492 -0.460 -6.400 1.00 0.00 C ATOM 351 CG GLU A 22 -3.370 0.554 -6.632 1.00 0.00 C ATOM 352 CD GLU A 22 -3.317 0.928 -8.115 1.00 0.00 C ATOM 353 OE1 GLU A 22 -2.966 0.072 -8.910 1.00 0.00 O ATOM 354 OE2 GLU A 22 -3.629 2.065 -8.429 1.00 0.00 O ATOM 0 H GLU A 22 -5.823 0.404 -4.547 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.790 0.924 -7.483 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.456 -0.829 -5.375 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.358 -1.322 -7.054 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.540 1.445 -6.027 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.415 0.133 -6.318 1.00 0.00 H new ATOM 361 N TYR A 23 -7.529 -1.473 -6.137 1.00 0.00 N ATOM 362 CA TYR A 23 -8.540 -2.520 -6.478 1.00 0.00 C ATOM 363 C TYR A 23 -9.970 -1.961 -6.425 1.00 0.00 C ATOM 364 O TYR A 23 -10.922 -2.706 -6.512 1.00 0.00 O ATOM 365 CB TYR A 23 -8.355 -3.605 -5.417 1.00 0.00 C ATOM 366 CG TYR A 23 -7.260 -4.551 -5.853 1.00 0.00 C ATOM 367 CD1 TYR A 23 -5.920 -4.150 -5.788 1.00 0.00 C ATOM 368 CD2 TYR A 23 -7.585 -5.828 -6.323 1.00 0.00 C ATOM 369 CE1 TYR A 23 -4.906 -5.025 -6.192 1.00 0.00 C ATOM 370 CE2 TYR A 23 -6.572 -6.705 -6.728 1.00 0.00 C ATOM 371 CZ TYR A 23 -5.231 -6.303 -6.663 1.00 0.00 C ATOM 372 OH TYR A 23 -4.232 -7.167 -7.062 1.00 0.00 O ATOM 0 H TYR A 23 -7.408 -1.298 -5.140 1.00 0.00 H new ATOM 0 HA TYR A 23 -8.399 -2.896 -7.491 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.100 -3.152 -4.459 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -9.287 -4.151 -5.273 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -5.669 -3.164 -5.426 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.618 -6.137 -6.373 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.873 -4.715 -6.141 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.824 -7.691 -7.090 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.630 -8.012 -7.360 1.00 0.00 H new ATOM 382 N ARG A 24 -10.130 -0.665 -6.298 1.00 0.00 N ATOM 383 CA ARG A 24 -11.497 -0.073 -6.254 1.00 0.00 C ATOM 384 C ARG A 24 -12.101 0.058 -7.663 1.00 0.00 C ATOM 385 O ARG A 24 -13.218 -0.368 -7.865 1.00 0.00 O ATOM 386 CB ARG A 24 -11.331 1.305 -5.621 1.00 0.00 C ATOM 387 CG ARG A 24 -11.580 1.211 -4.113 1.00 0.00 C ATOM 388 CD ARG A 24 -10.994 2.441 -3.418 1.00 0.00 C ATOM 389 NE ARG A 24 -11.848 2.646 -2.216 1.00 0.00 N ATOM 390 CZ ARG A 24 -12.378 3.815 -1.982 1.00 0.00 C ATOM 391 NH1 ARG A 24 -11.621 4.815 -1.620 1.00 0.00 N ATOM 392 NH2 ARG A 24 -13.665 3.985 -2.109 1.00 0.00 N ATOM 0 H ARG A 24 -9.367 0.008 -6.223 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.177 -0.707 -5.685 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.327 1.685 -5.811 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.029 2.010 -6.072 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.650 1.144 -3.914 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.124 0.304 -3.715 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.953 2.279 -3.140 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.017 3.313 -4.072 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.019 1.872 -1.575 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.615 4.683 -1.520 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.036 5.729 -1.437 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.257 3.204 -2.391 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.079 4.899 -1.926 1.00 0.00 H new ATOM 406 N PRO A 25 -11.368 0.639 -8.607 1.00 0.00 N ATOM 407 CA PRO A 25 -11.916 0.795 -9.985 1.00 0.00 C ATOM 408 C PRO A 25 -12.163 -0.574 -10.625 1.00 0.00 C ATOM 409 O PRO A 25 -12.889 -0.688 -11.594 1.00 0.00 O ATOM 410 CB PRO A 25 -10.842 1.592 -10.722 1.00 0.00 C ATOM 411 CG PRO A 25 -9.589 1.339 -9.959 1.00 0.00 C ATOM 412 CD PRO A 25 -9.996 1.175 -8.518 1.00 0.00 C ATOM 0 HA PRO A 25 -12.881 1.301 -10.010 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.747 1.265 -11.757 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.084 2.655 -10.744 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.085 0.444 -10.325 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.890 2.168 -10.074 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.332 0.492 -7.988 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.970 2.124 -7.983 1.00 0.00 H new ATOM 420 N LYS A 26 -11.599 -1.619 -10.066 1.00 0.00 N ATOM 421 CA LYS A 26 -11.839 -2.984 -10.615 1.00 0.00 C ATOM 422 C LYS A 26 -13.264 -3.402 -10.263 1.00 0.00 C ATOM 423 O LYS A 26 -14.027 -3.838 -11.103 1.00 0.00 O ATOM 424 CB LYS A 26 -10.840 -3.885 -9.893 1.00 0.00 C ATOM 425 CG LYS A 26 -10.808 -5.259 -10.566 1.00 0.00 C ATOM 426 CD LYS A 26 -11.946 -6.123 -10.019 1.00 0.00 C ATOM 427 CE LYS A 26 -11.639 -7.599 -10.282 1.00 0.00 C ATOM 428 NZ LYS A 26 -12.530 -8.348 -9.352 1.00 0.00 N ATOM 0 H LYS A 26 -10.984 -1.581 -9.253 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.719 -3.036 -11.697 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.847 -3.435 -9.915 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.120 -3.989 -8.845 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.908 -5.149 -11.646 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.849 -5.743 -10.382 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.066 -5.951 -8.949 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.887 -5.846 -10.494 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.838 -7.865 -11.320 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.590 -7.824 -10.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.378 -9.370 -9.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.313 -8.079 -8.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.522 -8.119 -9.562 1.00 0.00 H new ATOM 442 N ILE A 27 -13.622 -3.261 -9.010 1.00 0.00 N ATOM 443 CA ILE A 27 -14.998 -3.636 -8.557 1.00 0.00 C ATOM 444 C ILE A 27 -16.044 -2.894 -9.381 1.00 0.00 C ATOM 445 O ILE A 27 -17.100 -3.410 -9.677 1.00 0.00 O ATOM 446 CB ILE A 27 -15.121 -3.151 -7.098 1.00 0.00 C ATOM 447 CG1 ILE A 27 -13.955 -3.635 -6.212 1.00 0.00 C ATOM 448 CG2 ILE A 27 -16.438 -3.657 -6.513 1.00 0.00 C ATOM 449 CD1 ILE A 27 -13.667 -5.120 -6.436 1.00 0.00 C ATOM 0 H ILE A 27 -13.014 -2.899 -8.275 1.00 0.00 H new ATOM 0 HA ILE A 27 -15.155 -4.710 -8.662 1.00 0.00 H new ATOM 0 HB ILE A 27 -15.091 -2.061 -7.111 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -13.061 -3.052 -6.433 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.197 -3.463 -5.163 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -16.532 -3.318 -5.481 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -17.270 -3.268 -7.100 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.453 -4.747 -6.540 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.840 -5.431 -5.797 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -14.554 -5.704 -6.191 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.401 -5.286 -7.480 1.00 0.00 H new ATOM 461 N LYS A 28 -15.764 -1.662 -9.697 1.00 0.00 N ATOM 462 CA LYS A 28 -16.754 -0.830 -10.448 1.00 0.00 C ATOM 463 C LYS A 28 -16.919 -1.364 -11.875 1.00 0.00 C ATOM 464 O LYS A 28 -18.015 -1.416 -12.401 1.00 0.00 O ATOM 465 CB LYS A 28 -16.235 0.637 -10.494 1.00 0.00 C ATOM 466 CG LYS A 28 -15.355 1.043 -9.289 1.00 0.00 C ATOM 467 CD LYS A 28 -15.962 0.619 -7.942 1.00 0.00 C ATOM 468 CE LYS A 28 -17.361 1.220 -7.788 1.00 0.00 C ATOM 469 NZ LYS A 28 -17.130 2.660 -7.485 1.00 0.00 N ATOM 0 H LYS A 28 -14.889 -1.190 -9.468 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.722 -0.871 -9.948 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.662 0.778 -11.410 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.090 1.310 -10.546 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.369 0.592 -9.396 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.214 2.124 -9.295 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.015 -0.468 -7.884 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.322 0.951 -7.124 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.946 1.097 -8.700 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -17.914 0.732 -6.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.784 2.967 -6.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.150 2.794 -7.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.295 3.226 -8.342 1.00 0.00 H new ATOM 483 N SER A 29 -15.840 -1.752 -12.507 1.00 0.00 N ATOM 484 CA SER A 29 -15.927 -2.275 -13.909 1.00 0.00 C ATOM 485 C SER A 29 -16.863 -3.487 -13.983 1.00 0.00 C ATOM 486 O SER A 29 -17.407 -3.794 -15.027 1.00 0.00 O ATOM 487 CB SER A 29 -14.500 -2.682 -14.277 1.00 0.00 C ATOM 488 OG SER A 29 -14.443 -2.989 -15.663 1.00 0.00 O ATOM 0 H SER A 29 -14.899 -1.730 -12.113 1.00 0.00 H new ATOM 0 HA SER A 29 -16.330 -1.527 -14.592 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.807 -1.874 -14.043 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.193 -3.546 -13.688 1.00 0.00 H new ATOM 0 HG SER A 29 -13.529 -3.249 -15.903 1.00 0.00 H new ATOM 494 N GLU A 30 -17.048 -4.178 -12.887 1.00 0.00 N ATOM 495 CA GLU A 30 -17.943 -5.376 -12.892 1.00 0.00 C ATOM 496 C GLU A 30 -19.175 -5.135 -12.013 1.00 0.00 C ATOM 497 O GLU A 30 -20.203 -5.759 -12.193 1.00 0.00 O ATOM 498 CB GLU A 30 -17.085 -6.508 -12.318 1.00 0.00 C ATOM 499 CG GLU A 30 -16.645 -7.447 -13.445 1.00 0.00 C ATOM 500 CD GLU A 30 -17.800 -8.381 -13.812 1.00 0.00 C ATOM 501 OE1 GLU A 30 -18.024 -9.331 -13.081 1.00 0.00 O ATOM 502 OE2 GLU A 30 -18.442 -8.128 -14.818 1.00 0.00 O ATOM 0 H GLU A 30 -16.617 -3.964 -11.987 1.00 0.00 H new ATOM 0 HA GLU A 30 -18.315 -5.606 -13.890 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -16.211 -6.095 -11.814 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -17.651 -7.063 -11.570 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.340 -6.868 -14.317 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.779 -8.029 -13.130 1.00 0.00 H new ATOM 509 N HIS A 31 -19.077 -4.238 -11.065 1.00 0.00 N ATOM 510 CA HIS A 31 -20.238 -3.956 -10.168 1.00 0.00 C ATOM 511 C HIS A 31 -20.649 -2.481 -10.308 1.00 0.00 C ATOM 512 O HIS A 31 -20.064 -1.623 -9.679 1.00 0.00 O ATOM 513 CB HIS A 31 -19.743 -4.234 -8.743 1.00 0.00 C ATOM 514 CG HIS A 31 -19.164 -5.622 -8.650 1.00 0.00 C ATOM 515 ND1 HIS A 31 -17.804 -5.858 -8.767 1.00 0.00 N ATOM 516 CD2 HIS A 31 -19.744 -6.850 -8.453 1.00 0.00 C ATOM 517 CE1 HIS A 31 -17.611 -7.182 -8.641 1.00 0.00 C ATOM 518 NE2 HIS A 31 -18.761 -7.834 -8.448 1.00 0.00 N ATOM 0 H HIS A 31 -18.240 -3.687 -10.873 1.00 0.00 H new ATOM 0 HA HIS A 31 -21.104 -4.569 -10.415 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.988 -3.499 -8.463 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -20.567 -4.129 -8.038 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -17.081 -5.155 -8.921 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -20.802 -7.025 -8.322 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -16.644 -7.661 -8.690 1.00 0.00 H new ATOM 526 N PRO A 32 -21.642 -2.228 -11.130 1.00 0.00 N ATOM 527 CA PRO A 32 -22.107 -0.835 -11.333 1.00 0.00 C ATOM 528 C PRO A 32 -22.919 -0.360 -10.129 1.00 0.00 C ATOM 529 O PRO A 32 -22.970 0.818 -9.830 1.00 0.00 O ATOM 530 CB PRO A 32 -22.977 -0.923 -12.580 1.00 0.00 C ATOM 531 CG PRO A 32 -23.438 -2.345 -12.648 1.00 0.00 C ATOM 532 CD PRO A 32 -22.418 -3.188 -11.931 1.00 0.00 C ATOM 0 HA PRO A 32 -21.289 -0.123 -11.443 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -23.823 -0.239 -12.517 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -22.413 -0.651 -13.472 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -24.418 -2.452 -12.184 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -23.539 -2.666 -13.685 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -22.896 -3.937 -11.299 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -21.781 -3.724 -12.635 1.00 0.00 H new ATOM 540 N GLY A 33 -23.552 -1.270 -9.439 1.00 0.00 N ATOM 541 CA GLY A 33 -24.364 -0.887 -8.251 1.00 0.00 C ATOM 542 C GLY A 33 -23.478 -0.810 -6.997 1.00 0.00 C ATOM 543 O GLY A 33 -23.906 -0.327 -5.967 1.00 0.00 O ATOM 0 H GLY A 33 -23.541 -2.268 -9.650 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -24.843 0.077 -8.425 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -25.160 -1.615 -8.097 1.00 0.00 H new ATOM 547 N LEU A 34 -22.255 -1.290 -7.070 1.00 0.00 N ATOM 548 CA LEU A 34 -21.345 -1.251 -5.875 1.00 0.00 C ATOM 549 C LEU A 34 -21.073 0.199 -5.445 1.00 0.00 C ATOM 550 O LEU A 34 -20.057 0.775 -5.785 1.00 0.00 O ATOM 551 CB LEU A 34 -20.041 -1.932 -6.337 1.00 0.00 C ATOM 552 CG LEU A 34 -19.777 -3.211 -5.525 1.00 0.00 C ATOM 553 CD1 LEU A 34 -19.501 -2.842 -4.066 1.00 0.00 C ATOM 554 CD2 LEU A 34 -20.991 -4.154 -5.599 1.00 0.00 C ATOM 0 H LEU A 34 -21.848 -1.708 -7.907 1.00 0.00 H new ATOM 0 HA LEU A 34 -21.786 -1.754 -5.014 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -20.109 -2.176 -7.397 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.204 -1.243 -6.221 1.00 0.00 H new ATOM 0 HG LEU A 34 -18.910 -3.722 -5.944 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -19.314 -3.749 -3.491 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.627 -2.192 -4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -20.365 -2.322 -3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -20.788 -5.054 -5.019 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -21.868 -3.651 -5.192 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -21.178 -4.426 -6.638 1.00 0.00 H new ATOM 566 N SER A 35 -21.976 0.789 -4.704 1.00 0.00 N ATOM 567 CA SER A 35 -21.779 2.201 -4.248 1.00 0.00 C ATOM 568 C SER A 35 -20.673 2.258 -3.193 1.00 0.00 C ATOM 569 O SER A 35 -20.210 1.239 -2.719 1.00 0.00 O ATOM 570 CB SER A 35 -23.119 2.620 -3.644 1.00 0.00 C ATOM 571 OG SER A 35 -24.130 2.529 -4.638 1.00 0.00 O ATOM 0 H SER A 35 -22.844 0.353 -4.393 1.00 0.00 H new ATOM 0 HA SER A 35 -21.481 2.861 -5.063 1.00 0.00 H new ATOM 0 HB2 SER A 35 -23.366 1.979 -2.798 1.00 0.00 H new ATOM 0 HB3 SER A 35 -23.057 3.640 -3.264 1.00 0.00 H new ATOM 0 HG SER A 35 -24.991 2.795 -4.254 1.00 0.00 H new ATOM 577 N ILE A 36 -20.245 3.442 -2.815 1.00 0.00 N ATOM 578 CA ILE A 36 -19.161 3.566 -1.782 1.00 0.00 C ATOM 579 C ILE A 36 -19.516 2.744 -0.536 1.00 0.00 C ATOM 580 O ILE A 36 -18.648 2.255 0.164 1.00 0.00 O ATOM 581 CB ILE A 36 -19.086 5.063 -1.441 1.00 0.00 C ATOM 582 CG1 ILE A 36 -18.627 5.858 -2.676 1.00 0.00 C ATOM 583 CG2 ILE A 36 -18.097 5.288 -0.288 1.00 0.00 C ATOM 584 CD1 ILE A 36 -17.241 5.382 -3.132 1.00 0.00 C ATOM 0 H ILE A 36 -20.599 4.328 -3.177 1.00 0.00 H new ATOM 0 HA ILE A 36 -18.206 3.190 -2.148 1.00 0.00 H new ATOM 0 HB ILE A 36 -20.075 5.407 -1.138 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -19.346 5.733 -3.485 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -18.594 6.922 -2.440 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -18.049 6.351 -0.052 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -18.431 4.736 0.591 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -17.108 4.937 -0.583 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -16.930 5.953 -4.006 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.522 5.531 -2.326 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -17.286 4.323 -3.388 1.00 0.00 H new ATOM 596 N GLY A 37 -20.786 2.588 -0.261 1.00 0.00 N ATOM 597 CA GLY A 37 -21.206 1.798 0.931 1.00 0.00 C ATOM 598 C GLY A 37 -20.687 0.366 0.797 1.00 0.00 C ATOM 599 O GLY A 37 -19.802 -0.049 1.516 1.00 0.00 O ATOM 0 H GLY A 37 -21.551 2.976 -0.814 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -20.816 2.255 1.840 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -22.293 1.797 1.016 1.00 0.00 H new ATOM 603 N ASP A 38 -21.224 -0.383 -0.130 1.00 0.00 N ATOM 604 CA ASP A 38 -20.762 -1.792 -0.323 1.00 0.00 C ATOM 605 C ASP A 38 -19.322 -1.823 -0.843 1.00 0.00 C ATOM 606 O ASP A 38 -18.589 -2.753 -0.583 1.00 0.00 O ATOM 607 CB ASP A 38 -21.717 -2.389 -1.359 1.00 0.00 C ATOM 608 CG ASP A 38 -21.706 -3.915 -1.244 1.00 0.00 C ATOM 609 OD1 ASP A 38 -21.778 -4.405 -0.130 1.00 0.00 O ATOM 610 OD2 ASP A 38 -21.627 -4.566 -2.272 1.00 0.00 O ATOM 0 H ASP A 38 -21.964 -0.080 -0.764 1.00 0.00 H new ATOM 0 HA ASP A 38 -20.770 -2.352 0.612 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -22.726 -2.009 -1.200 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -21.417 -2.087 -2.362 1.00 0.00 H new ATOM 615 N THR A 39 -18.908 -0.810 -1.560 1.00 0.00 N ATOM 616 CA THR A 39 -17.507 -0.784 -2.091 1.00 0.00 C ATOM 617 C THR A 39 -16.506 -0.703 -0.934 1.00 0.00 C ATOM 618 O THR A 39 -15.383 -1.161 -1.044 1.00 0.00 O ATOM 619 CB THR A 39 -17.427 0.469 -2.974 1.00 0.00 C ATOM 620 OG1 THR A 39 -18.340 0.336 -4.054 1.00 0.00 O ATOM 621 CG2 THR A 39 -16.009 0.630 -3.531 1.00 0.00 C ATOM 0 H THR A 39 -19.477 0.001 -1.802 1.00 0.00 H new ATOM 0 HA THR A 39 -17.264 -1.684 -2.656 1.00 0.00 H new ATOM 0 HB THR A 39 -17.678 1.345 -2.377 1.00 0.00 H new ATOM 0 HG1 THR A 39 -19.258 0.397 -3.716 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.963 1.522 -4.156 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.303 0.728 -2.706 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.751 -0.245 -4.128 1.00 0.00 H new ATOM 629 N ALA A 40 -16.904 -0.130 0.173 1.00 0.00 N ATOM 630 CA ALA A 40 -15.977 -0.025 1.338 1.00 0.00 C ATOM 631 C ALA A 40 -15.891 -1.372 2.060 1.00 0.00 C ATOM 632 O ALA A 40 -14.818 -1.848 2.382 1.00 0.00 O ATOM 633 CB ALA A 40 -16.598 1.034 2.252 1.00 0.00 C ATOM 0 H ALA A 40 -17.831 0.269 0.320 1.00 0.00 H new ATOM 0 HA ALA A 40 -14.965 0.245 1.037 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.971 1.167 3.133 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.674 1.979 1.715 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -17.592 0.711 2.560 1.00 0.00 H new ATOM 639 N LYS A 41 -17.019 -1.983 2.322 1.00 0.00 N ATOM 640 CA LYS A 41 -17.016 -3.299 3.033 1.00 0.00 C ATOM 641 C LYS A 41 -16.755 -4.465 2.064 1.00 0.00 C ATOM 642 O LYS A 41 -16.488 -5.573 2.492 1.00 0.00 O ATOM 643 CB LYS A 41 -18.403 -3.417 3.684 1.00 0.00 C ATOM 644 CG LYS A 41 -19.502 -3.482 2.616 1.00 0.00 C ATOM 645 CD LYS A 41 -20.829 -2.997 3.213 1.00 0.00 C ATOM 646 CE LYS A 41 -20.715 -1.520 3.626 1.00 0.00 C ATOM 647 NZ LYS A 41 -21.000 -1.502 5.089 1.00 0.00 N ATOM 0 H LYS A 41 -17.942 -1.628 2.074 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.218 -3.348 3.773 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -18.442 -4.310 4.308 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -18.576 -2.563 4.339 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -19.229 -2.864 1.761 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -19.608 -4.503 2.250 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -21.630 -3.118 2.484 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -21.091 -3.605 4.079 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -19.721 -1.127 3.413 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -21.426 -0.902 3.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -20.940 -0.526 5.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -21.956 -1.875 5.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -20.303 -2.093 5.586 1.00 0.00 H new ATOM 661 N LYS A 42 -16.818 -4.236 0.771 1.00 0.00 N ATOM 662 CA LYS A 42 -16.559 -5.348 -0.200 1.00 0.00 C ATOM 663 C LYS A 42 -15.050 -5.577 -0.330 1.00 0.00 C ATOM 664 O LYS A 42 -14.549 -6.648 -0.044 1.00 0.00 O ATOM 665 CB LYS A 42 -17.157 -4.874 -1.532 1.00 0.00 C ATOM 666 CG LYS A 42 -16.913 -5.923 -2.625 1.00 0.00 C ATOM 667 CD LYS A 42 -17.615 -7.241 -2.256 1.00 0.00 C ATOM 668 CE LYS A 42 -18.643 -7.604 -3.333 1.00 0.00 C ATOM 669 NZ LYS A 42 -17.989 -8.667 -4.147 1.00 0.00 N ATOM 0 H LYS A 42 -17.036 -3.333 0.349 1.00 0.00 H new ATOM 0 HA LYS A 42 -17.002 -6.292 0.119 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -18.227 -4.700 -1.417 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -16.709 -3.924 -1.823 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.287 -5.558 -3.581 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -15.843 -6.093 -2.745 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -16.880 -8.040 -2.159 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -18.108 -7.142 -1.289 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -19.571 -7.963 -2.888 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -18.896 -6.738 -3.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.633 -8.968 -4.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.112 -8.295 -4.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -17.766 -9.481 -3.540 1.00 0.00 H new ATOM 683 N LEU A 43 -14.322 -4.575 -0.763 1.00 0.00 N ATOM 684 CA LEU A 43 -12.835 -4.720 -0.921 1.00 0.00 C ATOM 685 C LEU A 43 -12.196 -5.279 0.358 1.00 0.00 C ATOM 686 O LEU A 43 -11.145 -5.892 0.317 1.00 0.00 O ATOM 687 CB LEU A 43 -12.322 -3.304 -1.194 1.00 0.00 C ATOM 688 CG LEU A 43 -12.804 -2.841 -2.569 1.00 0.00 C ATOM 689 CD1 LEU A 43 -12.665 -1.321 -2.673 1.00 0.00 C ATOM 690 CD2 LEU A 43 -11.955 -3.503 -3.656 1.00 0.00 C ATOM 0 H LEU A 43 -14.693 -3.659 -1.015 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.583 -5.414 -1.723 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.680 -2.622 -0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.233 -3.287 -1.154 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.849 -3.122 -2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.009 -0.990 -3.653 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.268 -0.847 -1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.620 -1.041 -2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.298 -3.173 -4.637 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.910 -3.222 -3.524 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.051 -4.586 -3.583 1.00 0.00 H new ATOM 702 N GLY A 44 -12.828 -5.078 1.487 1.00 0.00 N ATOM 703 CA GLY A 44 -12.268 -5.603 2.767 1.00 0.00 C ATOM 704 C GLY A 44 -12.321 -7.131 2.749 1.00 0.00 C ATOM 705 O GLY A 44 -11.404 -7.799 3.190 1.00 0.00 O ATOM 0 H GLY A 44 -13.709 -4.572 1.576 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.240 -5.264 2.894 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.838 -5.217 3.612 1.00 0.00 H new ATOM 709 N GLU A 45 -13.393 -7.689 2.243 1.00 0.00 N ATOM 710 CA GLU A 45 -13.526 -9.181 2.190 1.00 0.00 C ATOM 711 C GLU A 45 -12.329 -9.806 1.462 1.00 0.00 C ATOM 712 O GLU A 45 -11.850 -10.862 1.831 1.00 0.00 O ATOM 713 CB GLU A 45 -14.816 -9.442 1.408 1.00 0.00 C ATOM 714 CG GLU A 45 -15.514 -10.683 1.967 1.00 0.00 C ATOM 715 CD GLU A 45 -16.524 -11.206 0.944 1.00 0.00 C ATOM 716 OE1 GLU A 45 -17.578 -10.604 0.822 1.00 0.00 O ATOM 717 OE2 GLU A 45 -16.227 -12.197 0.299 1.00 0.00 O ATOM 0 H GLU A 45 -14.187 -7.174 1.862 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.554 -9.619 3.188 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.477 -8.578 1.479 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.590 -9.585 0.351 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.779 -11.455 2.195 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.020 -10.439 2.901 1.00 0.00 H new ATOM 724 N MET A 46 -11.845 -9.157 0.433 1.00 0.00 N ATOM 725 CA MET A 46 -10.677 -9.705 -0.323 1.00 0.00 C ATOM 726 C MET A 46 -9.410 -9.607 0.529 1.00 0.00 C ATOM 727 O MET A 46 -8.706 -10.579 0.725 1.00 0.00 O ATOM 728 CB MET A 46 -10.554 -8.826 -1.569 1.00 0.00 C ATOM 729 CG MET A 46 -11.644 -9.207 -2.572 1.00 0.00 C ATOM 730 SD MET A 46 -11.224 -10.784 -3.352 1.00 0.00 S ATOM 731 CE MET A 46 -12.911 -11.420 -3.504 1.00 0.00 C ATOM 0 H MET A 46 -12.208 -8.270 0.083 1.00 0.00 H new ATOM 0 HA MET A 46 -10.810 -10.755 -0.582 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.647 -7.775 -1.296 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.570 -8.952 -2.020 1.00 0.00 H new ATOM 0 HG2 MET A 46 -12.607 -9.284 -2.067 1.00 0.00 H new ATOM 0 HG3 MET A 46 -11.743 -8.430 -3.330 1.00 0.00 H new ATOM 0 HE1 MET A 46 -12.888 -12.405 -3.970 1.00 0.00 H new ATOM 0 HE2 MET A 46 -13.361 -11.497 -2.514 1.00 0.00 H new ATOM 0 HE3 MET A 46 -13.502 -10.741 -4.119 1.00 0.00 H new ATOM 741 N TRP A 47 -9.112 -8.433 1.032 1.00 0.00 N ATOM 742 CA TRP A 47 -7.883 -8.245 1.874 1.00 0.00 C ATOM 743 C TRP A 47 -7.797 -9.313 2.973 1.00 0.00 C ATOM 744 O TRP A 47 -6.809 -10.011 3.094 1.00 0.00 O ATOM 745 CB TRP A 47 -8.033 -6.856 2.498 1.00 0.00 C ATOM 746 CG TRP A 47 -6.740 -6.456 3.131 1.00 0.00 C ATOM 747 CD1 TRP A 47 -6.519 -6.374 4.464 1.00 0.00 C ATOM 748 CD2 TRP A 47 -5.487 -6.086 2.486 1.00 0.00 C ATOM 749 NE1 TRP A 47 -5.212 -5.976 4.677 1.00 0.00 N ATOM 750 CE2 TRP A 47 -4.535 -5.786 3.489 1.00 0.00 C ATOM 751 CE3 TRP A 47 -5.089 -5.983 1.141 1.00 0.00 C ATOM 752 CZ2 TRP A 47 -3.234 -5.397 3.169 1.00 0.00 C ATOM 753 CZ3 TRP A 47 -3.781 -5.590 0.815 1.00 0.00 C ATOM 754 CH2 TRP A 47 -2.855 -5.299 1.827 1.00 0.00 C ATOM 0 H TRP A 47 -9.670 -7.590 0.896 1.00 0.00 H new ATOM 0 HA TRP A 47 -6.974 -8.337 1.279 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.317 -6.131 1.735 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -8.829 -6.863 3.243 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -7.245 -6.585 5.235 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -4.799 -5.839 5.599 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.794 -6.208 0.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -2.525 -5.173 3.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.486 -5.511 -0.221 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -1.850 -4.999 1.570 1.00 0.00 H new ATOM 765 N SER A 48 -8.827 -9.443 3.774 1.00 0.00 N ATOM 766 CA SER A 48 -8.811 -10.466 4.869 1.00 0.00 C ATOM 767 C SER A 48 -8.580 -11.864 4.287 1.00 0.00 C ATOM 768 O SER A 48 -7.905 -12.687 4.876 1.00 0.00 O ATOM 769 CB SER A 48 -10.192 -10.380 5.519 1.00 0.00 C ATOM 770 OG SER A 48 -10.228 -11.228 6.659 1.00 0.00 O ATOM 0 H SER A 48 -9.679 -8.885 3.717 1.00 0.00 H new ATOM 0 HA SER A 48 -8.011 -10.284 5.587 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.406 -9.352 5.810 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.961 -10.677 4.806 1.00 0.00 H new ATOM 0 HG SER A 48 -11.112 -11.174 7.079 1.00 0.00 H new ATOM 776 N GLU A 49 -9.132 -12.132 3.131 1.00 0.00 N ATOM 777 CA GLU A 49 -8.944 -13.473 2.499 1.00 0.00 C ATOM 778 C GLU A 49 -7.464 -13.686 2.168 1.00 0.00 C ATOM 779 O GLU A 49 -6.922 -14.758 2.367 1.00 0.00 O ATOM 780 CB GLU A 49 -9.782 -13.436 1.217 1.00 0.00 C ATOM 781 CG GLU A 49 -11.103 -14.176 1.444 1.00 0.00 C ATOM 782 CD GLU A 49 -10.837 -15.679 1.551 1.00 0.00 C ATOM 783 OE1 GLU A 49 -10.459 -16.118 2.624 1.00 0.00 O ATOM 784 OE2 GLU A 49 -11.017 -16.363 0.557 1.00 0.00 O ATOM 0 H GLU A 49 -9.706 -11.479 2.597 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.250 -14.288 3.155 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.977 -12.403 0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.231 -13.898 0.397 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.582 -13.815 2.354 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.790 -13.976 0.622 1.00 0.00 H new ATOM 791 N GLN A 50 -6.809 -12.669 1.668 1.00 0.00 N ATOM 792 CA GLN A 50 -5.358 -12.796 1.322 1.00 0.00 C ATOM 793 C GLN A 50 -4.546 -13.153 2.567 1.00 0.00 C ATOM 794 O GLN A 50 -4.952 -12.891 3.683 1.00 0.00 O ATOM 795 CB GLN A 50 -4.946 -11.419 0.796 1.00 0.00 C ATOM 796 CG GLN A 50 -5.667 -11.140 -0.525 1.00 0.00 C ATOM 797 CD GLN A 50 -4.888 -11.780 -1.677 1.00 0.00 C ATOM 798 OE1 GLN A 50 -4.691 -12.978 -1.699 1.00 0.00 O ATOM 799 NE2 GLN A 50 -4.436 -11.026 -2.641 1.00 0.00 N ATOM 0 H GLN A 50 -7.217 -11.753 1.483 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.181 -13.582 0.588 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.194 -10.650 1.527 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.867 -11.382 0.648 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.680 -11.541 -0.490 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.754 -10.065 -0.684 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.602 -10.020 -2.622 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.917 -11.443 -3.414 1.00 0.00 H new ATOM 808 N SER A 51 -3.395 -13.743 2.376 1.00 0.00 N ATOM 809 CA SER A 51 -2.535 -14.115 3.535 1.00 0.00 C ATOM 810 C SER A 51 -1.424 -13.075 3.698 1.00 0.00 C ATOM 811 O SER A 51 -1.589 -11.926 3.329 1.00 0.00 O ATOM 812 CB SER A 51 -1.960 -15.486 3.171 1.00 0.00 C ATOM 813 OG SER A 51 -3.013 -16.339 2.744 1.00 0.00 O ATOM 0 H SER A 51 -3.013 -13.984 1.461 1.00 0.00 H new ATOM 0 HA SER A 51 -3.080 -14.150 4.479 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.217 -15.383 2.380 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.452 -15.920 4.032 1.00 0.00 H new ATOM 0 HG SER A 51 -2.647 -17.217 2.509 1.00 0.00 H new ATOM 819 N ALA A 52 -0.294 -13.462 4.236 1.00 0.00 N ATOM 820 CA ALA A 52 0.825 -12.490 4.410 1.00 0.00 C ATOM 821 C ALA A 52 1.684 -12.447 3.141 1.00 0.00 C ATOM 822 O ALA A 52 2.893 -12.579 3.198 1.00 0.00 O ATOM 823 CB ALA A 52 1.633 -13.023 5.592 1.00 0.00 C ATOM 0 H ALA A 52 -0.100 -14.409 4.562 1.00 0.00 H new ATOM 0 HA ALA A 52 0.471 -11.475 4.588 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.477 -12.361 5.784 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.998 -13.067 6.477 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.001 -14.022 5.360 1.00 0.00 H new ATOM 829 N LYS A 53 1.069 -12.267 1.997 1.00 0.00 N ATOM 830 CA LYS A 53 1.847 -12.219 0.724 1.00 0.00 C ATOM 831 C LYS A 53 1.451 -10.992 -0.101 1.00 0.00 C ATOM 832 O LYS A 53 2.295 -10.253 -0.568 1.00 0.00 O ATOM 833 CB LYS A 53 1.473 -13.503 -0.017 1.00 0.00 C ATOM 834 CG LYS A 53 2.285 -14.672 0.542 1.00 0.00 C ATOM 835 CD LYS A 53 2.325 -15.804 -0.486 1.00 0.00 C ATOM 836 CE LYS A 53 0.974 -16.522 -0.505 1.00 0.00 C ATOM 837 NZ LYS A 53 1.119 -17.583 -1.540 1.00 0.00 N ATOM 0 H LYS A 53 0.061 -12.151 1.892 1.00 0.00 H new ATOM 0 HA LYS A 53 2.920 -12.145 0.903 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.407 -13.702 0.094 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.667 -13.389 -1.084 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.298 -14.345 0.778 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.840 -15.026 1.472 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.551 -15.404 -1.475 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.120 -16.508 -0.238 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.740 -16.950 0.470 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.165 -15.835 -0.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.232 -18.121 -1.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.335 -17.145 -2.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.892 -18.225 -1.273 1.00 0.00 H new ATOM 851 N ASP A 54 0.176 -10.786 -0.300 1.00 0.00 N ATOM 852 CA ASP A 54 -0.283 -9.616 -1.115 1.00 0.00 C ATOM 853 C ASP A 54 -0.061 -8.292 -0.372 1.00 0.00 C ATOM 854 O ASP A 54 -0.098 -7.234 -0.973 1.00 0.00 O ATOM 855 CB ASP A 54 -1.777 -9.851 -1.346 1.00 0.00 C ATOM 856 CG ASP A 54 -2.269 -8.944 -2.476 1.00 0.00 C ATOM 857 OD1 ASP A 54 -2.006 -9.266 -3.623 1.00 0.00 O ATOM 858 OD2 ASP A 54 -2.900 -7.945 -2.175 1.00 0.00 O ATOM 0 H ASP A 54 -0.571 -11.377 0.066 1.00 0.00 H new ATOM 0 HA ASP A 54 0.276 -9.540 -2.048 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.956 -10.896 -1.600 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.334 -9.645 -0.432 1.00 0.00 H new ATOM 863 N LYS A 55 0.161 -8.331 0.922 1.00 0.00 N ATOM 864 CA LYS A 55 0.372 -7.054 1.675 1.00 0.00 C ATOM 865 C LYS A 55 1.845 -6.885 2.076 1.00 0.00 C ATOM 866 O LYS A 55 2.359 -5.787 2.080 1.00 0.00 O ATOM 867 CB LYS A 55 -0.542 -7.143 2.909 1.00 0.00 C ATOM 868 CG LYS A 55 -0.101 -8.282 3.837 1.00 0.00 C ATOM 869 CD LYS A 55 -0.967 -8.270 5.099 1.00 0.00 C ATOM 870 CE LYS A 55 -1.006 -9.674 5.706 1.00 0.00 C ATOM 871 NZ LYS A 55 -2.124 -9.636 6.689 1.00 0.00 N ATOM 0 H LYS A 55 0.205 -9.182 1.483 1.00 0.00 H new ATOM 0 HA LYS A 55 0.129 -6.184 1.066 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.520 -6.198 3.451 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.572 -7.305 2.592 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.196 -9.240 3.326 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.950 -8.165 4.102 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.564 -7.561 5.822 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.977 -7.939 4.857 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.179 -10.431 4.941 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.062 -9.921 6.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.214 -10.565 7.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.929 -8.911 7.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.011 -9.405 6.197 1.00 0.00 H new ATOM 885 N GLN A 56 2.515 -7.956 2.438 1.00 0.00 N ATOM 886 CA GLN A 56 3.957 -7.868 2.870 1.00 0.00 C ATOM 887 C GLN A 56 4.788 -6.932 1.964 1.00 0.00 C ATOM 888 O GLN A 56 5.382 -5.990 2.449 1.00 0.00 O ATOM 889 CB GLN A 56 4.484 -9.302 2.777 1.00 0.00 C ATOM 890 CG GLN A 56 4.340 -9.992 4.136 1.00 0.00 C ATOM 891 CD GLN A 56 5.447 -9.508 5.074 1.00 0.00 C ATOM 892 OE1 GLN A 56 5.177 -8.886 6.081 1.00 0.00 O ATOM 893 NE2 GLN A 56 6.692 -9.771 4.784 1.00 0.00 N ATOM 0 H GLN A 56 2.124 -8.898 2.454 1.00 0.00 H new ATOM 0 HA GLN A 56 4.037 -7.449 3.873 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.931 -9.855 2.017 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.530 -9.297 2.470 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.363 -9.772 4.566 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.399 -11.074 4.015 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.919 -10.294 3.938 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.438 -9.454 5.403 1.00 0.00 H new ATOM 902 N PRO A 57 4.804 -7.205 0.677 1.00 0.00 N ATOM 903 CA PRO A 57 5.573 -6.347 -0.260 1.00 0.00 C ATOM 904 C PRO A 57 4.861 -5.004 -0.440 1.00 0.00 C ATOM 905 O PRO A 57 5.487 -3.975 -0.604 1.00 0.00 O ATOM 906 CB PRO A 57 5.576 -7.141 -1.561 1.00 0.00 C ATOM 907 CG PRO A 57 4.366 -8.010 -1.480 1.00 0.00 C ATOM 908 CD PRO A 57 4.132 -8.308 -0.024 1.00 0.00 C ATOM 0 HA PRO A 57 6.580 -6.120 0.089 1.00 0.00 H new ATOM 0 HB2 PRO A 57 5.532 -6.481 -2.427 1.00 0.00 H new ATOM 0 HB3 PRO A 57 6.484 -7.736 -1.659 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.501 -7.508 -1.914 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.515 -8.932 -2.043 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.068 -8.341 0.211 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.551 -9.274 0.258 1.00 0.00 H new ATOM 916 N TYR A 58 3.553 -5.014 -0.407 1.00 0.00 N ATOM 917 CA TYR A 58 2.782 -3.742 -0.571 1.00 0.00 C ATOM 918 C TYR A 58 2.841 -2.901 0.717 1.00 0.00 C ATOM 919 O TYR A 58 2.404 -1.765 0.738 1.00 0.00 O ATOM 920 CB TYR A 58 1.342 -4.187 -0.870 1.00 0.00 C ATOM 921 CG TYR A 58 0.840 -3.495 -2.117 1.00 0.00 C ATOM 922 CD1 TYR A 58 1.394 -3.812 -3.363 1.00 0.00 C ATOM 923 CD2 TYR A 58 -0.177 -2.538 -2.027 1.00 0.00 C ATOM 924 CE1 TYR A 58 0.931 -3.172 -4.519 1.00 0.00 C ATOM 925 CE2 TYR A 58 -0.639 -1.897 -3.182 1.00 0.00 C ATOM 926 CZ TYR A 58 -0.086 -2.215 -4.429 1.00 0.00 C ATOM 927 OH TYR A 58 -0.541 -1.584 -5.568 1.00 0.00 O ATOM 0 H TYR A 58 2.983 -5.849 -0.273 1.00 0.00 H new ATOM 0 HA TYR A 58 3.187 -3.115 -1.365 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.306 -5.268 -1.004 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.695 -3.949 -0.026 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.179 -4.551 -3.433 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.605 -2.294 -1.066 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.359 -3.417 -5.480 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.422 -1.157 -3.112 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.446 -2.186 -6.336 1.00 0.00 H new ATOM 937 N GLU A 59 3.378 -3.444 1.788 1.00 0.00 N ATOM 938 CA GLU A 59 3.466 -2.671 3.065 1.00 0.00 C ATOM 939 C GLU A 59 4.619 -1.668 2.990 1.00 0.00 C ATOM 940 O GLU A 59 4.427 -0.478 3.147 1.00 0.00 O ATOM 941 CB GLU A 59 3.740 -3.713 4.152 1.00 0.00 C ATOM 942 CG GLU A 59 2.423 -4.343 4.609 1.00 0.00 C ATOM 943 CD GLU A 59 1.771 -3.453 5.671 1.00 0.00 C ATOM 944 OE1 GLU A 59 1.911 -2.246 5.572 1.00 0.00 O ATOM 945 OE2 GLU A 59 1.142 -3.996 6.564 1.00 0.00 O ATOM 0 H GLU A 59 3.758 -4.390 1.829 1.00 0.00 H new ATOM 0 HA GLU A 59 2.556 -2.106 3.266 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.409 -4.484 3.769 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.243 -3.245 4.998 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.752 -4.464 3.759 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.605 -5.338 5.015 1.00 0.00 H new ATOM 952 N GLN A 60 5.819 -2.149 2.765 1.00 0.00 N ATOM 953 CA GLN A 60 7.014 -1.241 2.688 1.00 0.00 C ATOM 954 C GLN A 60 6.745 -0.030 1.780 1.00 0.00 C ATOM 955 O GLN A 60 7.313 1.029 1.968 1.00 0.00 O ATOM 956 CB GLN A 60 8.147 -2.106 2.117 1.00 0.00 C ATOM 957 CG GLN A 60 7.733 -2.700 0.766 1.00 0.00 C ATOM 958 CD GLN A 60 8.972 -3.223 0.039 1.00 0.00 C ATOM 959 OE1 GLN A 60 9.581 -4.183 0.466 1.00 0.00 O ATOM 960 NE2 GLN A 60 9.374 -2.627 -1.050 1.00 0.00 N ATOM 0 H GLN A 60 6.026 -3.139 2.630 1.00 0.00 H new ATOM 0 HA GLN A 60 7.264 -0.833 3.667 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.048 -1.504 1.997 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.390 -2.907 2.815 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.018 -3.509 0.916 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.235 -1.942 0.161 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.862 -1.821 -1.409 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.200 -2.967 -1.543 1.00 0.00 H new ATOM 969 N LYS A 61 5.880 -0.176 0.805 1.00 0.00 N ATOM 970 CA LYS A 61 5.571 0.970 -0.107 1.00 0.00 C ATOM 971 C LYS A 61 4.999 2.138 0.700 1.00 0.00 C ATOM 972 O LYS A 61 5.455 3.260 0.592 1.00 0.00 O ATOM 973 CB LYS A 61 4.531 0.434 -1.094 1.00 0.00 C ATOM 974 CG LYS A 61 4.175 1.522 -2.110 1.00 0.00 C ATOM 975 CD LYS A 61 3.387 0.903 -3.266 1.00 0.00 C ATOM 976 CE LYS A 61 3.286 1.910 -4.413 1.00 0.00 C ATOM 977 NZ LYS A 61 2.208 1.382 -5.294 1.00 0.00 N ATOM 0 H LYS A 61 5.375 -1.039 0.602 1.00 0.00 H new ATOM 0 HA LYS A 61 6.458 1.339 -0.622 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.922 -0.444 -1.609 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.636 0.117 -0.558 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.585 2.303 -1.631 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.083 1.994 -2.486 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.879 -0.007 -3.609 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.390 0.618 -2.929 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.042 2.906 -4.044 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.231 1.992 -4.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.079 2.020 -6.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.471 0.436 -5.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.319 1.321 -4.757 1.00 0.00 H new ATOM 991 N ALA A 62 4.010 1.874 1.516 1.00 0.00 N ATOM 992 CA ALA A 62 3.411 2.964 2.345 1.00 0.00 C ATOM 993 C ALA A 62 4.367 3.370 3.474 1.00 0.00 C ATOM 994 O ALA A 62 4.141 4.353 4.156 1.00 0.00 O ATOM 995 CB ALA A 62 2.125 2.376 2.919 1.00 0.00 C ATOM 0 H ALA A 62 3.592 0.952 1.644 1.00 0.00 H new ATOM 0 HA ALA A 62 3.220 3.861 1.756 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.630 3.122 3.541 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.462 2.085 2.104 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.363 1.501 3.523 1.00 0.00 H new ATOM 1001 N ALA A 63 5.443 2.641 3.667 1.00 0.00 N ATOM 1002 CA ALA A 63 6.416 3.009 4.736 1.00 0.00 C ATOM 1003 C ALA A 63 7.421 4.044 4.206 1.00 0.00 C ATOM 1004 O ALA A 63 8.300 4.483 4.922 1.00 0.00 O ATOM 1005 CB ALA A 63 7.128 1.704 5.091 1.00 0.00 C ATOM 0 H ALA A 63 5.685 1.809 3.129 1.00 0.00 H new ATOM 0 HA ALA A 63 5.928 3.455 5.602 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.863 1.892 5.874 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.398 0.976 5.445 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.631 1.312 4.207 1.00 0.00 H new ATOM 1011 N LYS A 64 7.294 4.448 2.959 1.00 0.00 N ATOM 1012 CA LYS A 64 8.227 5.460 2.386 1.00 0.00 C ATOM 1013 C LYS A 64 7.518 6.808 2.273 1.00 0.00 C ATOM 1014 O LYS A 64 8.126 7.857 2.373 1.00 0.00 O ATOM 1015 CB LYS A 64 8.556 4.928 0.996 1.00 0.00 C ATOM 1016 CG LYS A 64 9.556 3.778 1.106 1.00 0.00 C ATOM 1017 CD LYS A 64 10.889 4.303 1.644 1.00 0.00 C ATOM 1018 CE LYS A 64 12.024 3.390 1.176 1.00 0.00 C ATOM 1019 NZ LYS A 64 13.267 4.031 1.686 1.00 0.00 N ATOM 0 H LYS A 64 6.577 4.114 2.315 1.00 0.00 H new ATOM 0 HA LYS A 64 9.117 5.608 2.998 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.646 4.585 0.503 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.971 5.726 0.380 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.165 3.005 1.768 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.703 3.317 0.129 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.059 5.321 1.294 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.864 4.341 2.733 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.908 2.381 1.573 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.040 3.305 0.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.091 3.462 1.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.354 4.987 1.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.226 4.092 2.723 1.00 0.00 H new ATOM 1033 N LEU A 65 6.225 6.777 2.091 1.00 0.00 N ATOM 1034 CA LEU A 65 5.439 8.039 1.996 1.00 0.00 C ATOM 1035 C LEU A 65 4.992 8.490 3.393 1.00 0.00 C ATOM 1036 O LEU A 65 4.505 9.590 3.565 1.00 0.00 O ATOM 1037 CB LEU A 65 4.224 7.686 1.137 1.00 0.00 C ATOM 1038 CG LEU A 65 4.578 7.850 -0.340 1.00 0.00 C ATOM 1039 CD1 LEU A 65 5.307 6.597 -0.830 1.00 0.00 C ATOM 1040 CD2 LEU A 65 3.295 8.041 -1.151 1.00 0.00 C ATOM 0 H LEU A 65 5.675 5.922 2.003 1.00 0.00 H new ATOM 0 HA LEU A 65 6.020 8.855 1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.911 6.661 1.335 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.384 8.331 1.394 1.00 0.00 H new ATOM 0 HG LEU A 65 5.223 8.720 -0.466 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.560 6.712 -1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.220 6.457 -0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.661 5.728 -0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.545 8.158 -2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.652 7.170 -1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.772 8.931 -0.801 1.00 0.00 H new ATOM 1052 N LYS A 66 5.169 7.656 4.396 1.00 0.00 N ATOM 1053 CA LYS A 66 4.771 8.049 5.776 1.00 0.00 C ATOM 1054 C LYS A 66 5.872 8.912 6.390 1.00 0.00 C ATOM 1055 O LYS A 66 5.609 9.791 7.190 1.00 0.00 O ATOM 1056 CB LYS A 66 4.630 6.730 6.542 1.00 0.00 C ATOM 1057 CG LYS A 66 4.205 7.016 7.984 1.00 0.00 C ATOM 1058 CD LYS A 66 2.685 6.893 8.104 1.00 0.00 C ATOM 1059 CE LYS A 66 2.319 6.439 9.520 1.00 0.00 C ATOM 1060 NZ LYS A 66 2.279 4.952 9.449 1.00 0.00 N ATOM 0 H LYS A 66 5.572 6.723 4.311 1.00 0.00 H new ATOM 0 HA LYS A 66 3.847 8.627 5.802 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.893 6.092 6.055 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.576 6.189 6.532 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.692 6.316 8.663 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.523 8.017 8.276 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.214 7.851 7.885 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.309 6.178 7.373 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.056 6.780 10.247 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.356 6.846 9.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.034 4.566 10.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.564 4.657 8.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.211 4.593 9.160 1.00 0.00 H new ATOM 1074 N GLU A 67 7.102 8.673 6.010 1.00 0.00 N ATOM 1075 CA GLU A 67 8.225 9.485 6.558 1.00 0.00 C ATOM 1076 C GLU A 67 8.114 10.919 6.039 1.00 0.00 C ATOM 1077 O GLU A 67 7.965 11.854 6.800 1.00 0.00 O ATOM 1078 CB GLU A 67 9.501 8.821 6.034 1.00 0.00 C ATOM 1079 CG GLU A 67 10.645 9.060 7.023 1.00 0.00 C ATOM 1080 CD GLU A 67 11.924 8.415 6.488 1.00 0.00 C ATOM 1081 OE1 GLU A 67 12.385 8.839 5.441 1.00 0.00 O ATOM 1082 OE2 GLU A 67 12.423 7.508 7.134 1.00 0.00 O ATOM 0 H GLU A 67 7.375 7.950 5.344 1.00 0.00 H new ATOM 0 HA GLU A 67 8.217 9.527 7.647 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.339 7.751 5.901 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.760 9.228 5.057 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.797 10.130 7.168 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.392 8.639 7.996 1.00 0.00 H new ATOM 1089 N LYS A 68 8.184 11.094 4.744 1.00 0.00 N ATOM 1090 CA LYS A 68 8.081 12.469 4.158 1.00 0.00 C ATOM 1091 C LYS A 68 6.765 13.136 4.569 1.00 0.00 C ATOM 1092 O LYS A 68 6.656 14.346 4.589 1.00 0.00 O ATOM 1093 CB LYS A 68 8.124 12.265 2.641 1.00 0.00 C ATOM 1094 CG LYS A 68 9.516 11.784 2.230 1.00 0.00 C ATOM 1095 CD LYS A 68 9.461 11.214 0.812 1.00 0.00 C ATOM 1096 CE LYS A 68 9.566 12.357 -0.202 1.00 0.00 C ATOM 1097 NZ LYS A 68 11.019 12.675 -0.273 1.00 0.00 N ATOM 0 H LYS A 68 8.308 10.344 4.064 1.00 0.00 H new ATOM 0 HA LYS A 68 8.884 13.118 4.507 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.372 11.536 2.340 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.885 13.198 2.131 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.225 12.610 2.274 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.870 11.023 2.926 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.275 10.505 0.662 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.530 10.667 0.664 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.179 12.058 -1.176 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.987 13.223 0.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.148 13.707 -0.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.501 12.283 0.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.424 12.257 -1.135 1.00 0.00 H new ATOM 1111 N TYR A 69 5.767 12.359 4.902 1.00 0.00 N ATOM 1112 CA TYR A 69 4.461 12.955 5.319 1.00 0.00 C ATOM 1113 C TYR A 69 4.582 13.538 6.733 1.00 0.00 C ATOM 1114 O TYR A 69 4.369 14.712 6.950 1.00 0.00 O ATOM 1115 CB TYR A 69 3.464 11.790 5.293 1.00 0.00 C ATOM 1116 CG TYR A 69 2.092 12.267 5.716 1.00 0.00 C ATOM 1117 CD1 TYR A 69 1.809 12.466 7.074 1.00 0.00 C ATOM 1118 CD2 TYR A 69 1.106 12.507 4.753 1.00 0.00 C ATOM 1119 CE1 TYR A 69 0.539 12.905 7.466 1.00 0.00 C ATOM 1120 CE2 TYR A 69 -0.164 12.947 5.146 1.00 0.00 C ATOM 1121 CZ TYR A 69 -0.447 13.145 6.502 1.00 0.00 C ATOM 1122 OH TYR A 69 -1.699 13.579 6.889 1.00 0.00 O ATOM 0 H TYR A 69 5.799 11.339 4.904 1.00 0.00 H new ATOM 0 HA TYR A 69 4.145 13.768 4.665 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.416 11.365 4.290 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.803 10.997 5.960 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.570 12.281 7.817 1.00 0.00 H new ATOM 0 HD2 TYR A 69 1.324 12.353 3.707 1.00 0.00 H new ATOM 0 HE1 TYR A 69 0.320 13.059 8.512 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.925 13.133 4.403 1.00 0.00 H new ATOM 0 HH TYR A 69 -2.263 13.698 6.097 1.00 0.00 H new ATOM 1132 N GLU A 70 4.900 12.710 7.691 1.00 0.00 N ATOM 1133 CA GLU A 70 5.012 13.187 9.106 1.00 0.00 C ATOM 1134 C GLU A 70 6.356 13.881 9.376 1.00 0.00 C ATOM 1135 O GLU A 70 6.502 14.581 10.361 1.00 0.00 O ATOM 1136 CB GLU A 70 4.891 11.922 9.956 1.00 0.00 C ATOM 1137 CG GLU A 70 3.414 11.594 10.180 1.00 0.00 C ATOM 1138 CD GLU A 70 3.264 10.753 11.448 1.00 0.00 C ATOM 1139 OE1 GLU A 70 3.431 9.548 11.360 1.00 0.00 O ATOM 1140 OE2 GLU A 70 2.986 11.328 12.487 1.00 0.00 O ATOM 0 H GLU A 70 5.089 11.717 7.557 1.00 0.00 H new ATOM 0 HA GLU A 70 4.244 13.927 9.333 1.00 0.00 H new ATOM 0 HB2 GLU A 70 5.388 11.089 9.459 1.00 0.00 H new ATOM 0 HB3 GLU A 70 5.391 12.066 10.914 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.836 12.514 10.271 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.017 11.051 9.322 1.00 0.00 H new ATOM 1147 N LYS A 71 7.343 13.677 8.538 1.00 0.00 N ATOM 1148 CA LYS A 71 8.678 14.314 8.788 1.00 0.00 C ATOM 1149 C LYS A 71 8.872 15.590 7.958 1.00 0.00 C ATOM 1150 O LYS A 71 9.666 16.442 8.315 1.00 0.00 O ATOM 1151 CB LYS A 71 9.703 13.257 8.375 1.00 0.00 C ATOM 1152 CG LYS A 71 10.981 13.439 9.194 1.00 0.00 C ATOM 1153 CD LYS A 71 11.992 12.358 8.811 1.00 0.00 C ATOM 1154 CE LYS A 71 11.761 11.113 9.671 1.00 0.00 C ATOM 1155 NZ LYS A 71 12.408 11.421 10.977 1.00 0.00 N ATOM 0 H LYS A 71 7.285 13.102 7.698 1.00 0.00 H new ATOM 0 HA LYS A 71 8.777 14.617 9.830 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.296 12.259 8.534 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.924 13.346 7.311 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.404 14.427 9.013 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.755 13.379 10.259 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.890 12.107 7.755 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.007 12.728 8.954 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.697 10.911 9.796 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.202 10.228 9.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.198 10.764 11.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.767 12.397 10.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.712 11.317 11.742 1.00 0.00 H new ATOM 1169 N ASP A 72 8.178 15.730 6.857 1.00 0.00 N ATOM 1170 CA ASP A 72 8.358 16.955 6.014 1.00 0.00 C ATOM 1171 C ASP A 72 7.211 17.951 6.220 1.00 0.00 C ATOM 1172 O ASP A 72 7.404 19.148 6.122 1.00 0.00 O ATOM 1173 CB ASP A 72 8.373 16.450 4.571 1.00 0.00 C ATOM 1174 CG ASP A 72 9.256 17.362 3.719 1.00 0.00 C ATOM 1175 OD1 ASP A 72 10.453 17.384 3.956 1.00 0.00 O ATOM 1176 OD2 ASP A 72 8.722 18.021 2.843 1.00 0.00 O ATOM 0 H ASP A 72 7.499 15.055 6.506 1.00 0.00 H new ATOM 0 HA ASP A 72 9.273 17.486 6.277 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.749 15.427 4.537 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.359 16.431 4.171 1.00 0.00 H new ATOM 1181 N ILE A 73 6.020 17.474 6.494 1.00 0.00 N ATOM 1182 CA ILE A 73 4.862 18.409 6.693 1.00 0.00 C ATOM 1183 C ILE A 73 5.178 19.438 7.790 1.00 0.00 C ATOM 1184 O ILE A 73 4.759 20.578 7.722 1.00 0.00 O ATOM 1185 CB ILE A 73 3.675 17.515 7.084 1.00 0.00 C ATOM 1186 CG1 ILE A 73 2.393 18.349 7.076 1.00 0.00 C ATOM 1187 CG2 ILE A 73 3.887 16.916 8.478 1.00 0.00 C ATOM 1188 CD1 ILE A 73 1.882 18.479 5.641 1.00 0.00 C ATOM 0 H ILE A 73 5.798 16.483 6.589 1.00 0.00 H new ATOM 0 HA ILE A 73 4.642 18.985 5.794 1.00 0.00 H new ATOM 0 HB ILE A 73 3.595 16.700 6.364 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.635 17.878 7.702 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.585 19.336 7.496 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.036 16.286 8.737 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.797 16.316 8.482 1.00 0.00 H new ATOM 0 HG23 ILE A 73 3.979 17.719 9.209 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.968 19.073 5.633 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.639 18.969 5.028 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.674 17.488 5.238 1.00 0.00 H new