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 55:sc= 0.889 USER MOD Single : A 20 CYS SG : rot 180:sc= -1.12 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+ -154:sc= -0.0239 (180deg=-0.436) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= 0.0283 K(o=0.028,f=-3.2!) USER MOD Single : A 35 SER OG : rot 180:sc= 0.00505 USER MOD Single : A 39 THR OG1 : rot 120:sc= -1! 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= 0 X(o=0,f=-0.09) USER MOD Single : A 51 SER OG : rot 180:sc= 0.4 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -162:sc=-0.00801 (180deg=-0.386) USER MOD Single : A 56 GLN : amide:sc= -0.0387 X(o=-0.039,f=-0.3) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.133 K(o=-0.13,f=-1.1!) 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+ -147:sc= 1.22 (180deg=0.645) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 136 N PRO A 9 1.847 17.057 1.703 1.00 0.00 N ATOM 137 CA PRO A 9 1.690 15.583 1.772 1.00 0.00 C ATOM 138 C PRO A 9 0.301 15.217 2.302 1.00 0.00 C ATOM 139 O PRO A 9 -0.035 15.500 3.437 1.00 0.00 O ATOM 140 CB PRO A 9 2.783 15.144 2.741 1.00 0.00 C ATOM 141 CG PRO A 9 3.056 16.342 3.592 1.00 0.00 C ATOM 142 CD PRO A 9 2.745 17.560 2.758 1.00 0.00 C ATOM 0 HA PRO A 9 1.778 15.098 0.800 1.00 0.00 H new ATOM 0 HB2 PRO A 9 2.457 14.298 3.345 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.679 14.828 2.207 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.440 16.324 4.491 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.096 16.354 3.918 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.265 18.337 3.352 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.651 17.995 2.336 1.00 0.00 H new ATOM 150 N LYS A 10 -0.507 14.594 1.481 1.00 0.00 N ATOM 151 CA LYS A 10 -1.882 14.207 1.919 1.00 0.00 C ATOM 152 C LYS A 10 -1.811 13.259 3.122 1.00 0.00 C ATOM 153 O LYS A 10 -0.795 13.163 3.787 1.00 0.00 O ATOM 154 CB LYS A 10 -2.509 13.504 0.706 1.00 0.00 C ATOM 155 CG LYS A 10 -1.681 12.266 0.323 1.00 0.00 C ATOM 156 CD LYS A 10 -1.310 12.324 -1.163 1.00 0.00 C ATOM 157 CE LYS A 10 -0.336 11.189 -1.489 1.00 0.00 C ATOM 158 NZ LYS A 10 0.032 11.398 -2.917 1.00 0.00 N ATOM 0 H LYS A 10 -0.272 14.336 0.523 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.471 15.069 2.234 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.533 13.209 0.937 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.558 14.193 -0.137 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.777 12.220 0.931 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.250 11.359 0.529 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.207 12.236 -1.777 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.856 13.287 -1.398 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.543 11.225 -0.845 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.801 10.214 -1.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.699 10.658 -3.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.824 11.351 -3.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.478 12.331 -3.028 1.00 0.00 H new ATOM 172 N ARG A 11 -2.880 12.558 3.404 1.00 0.00 N ATOM 173 CA ARG A 11 -2.879 11.613 4.563 1.00 0.00 C ATOM 174 C ARG A 11 -1.873 10.478 4.317 1.00 0.00 C ATOM 175 O ARG A 11 -1.712 10.039 3.195 1.00 0.00 O ATOM 176 CB ARG A 11 -4.303 11.052 4.630 1.00 0.00 C ATOM 177 CG ARG A 11 -5.082 11.756 5.743 1.00 0.00 C ATOM 178 CD ARG A 11 -5.407 13.188 5.312 1.00 0.00 C ATOM 179 NE ARG A 11 -5.317 13.994 6.561 1.00 0.00 N ATOM 180 CZ ARG A 11 -6.293 14.795 6.892 1.00 0.00 C ATOM 181 NH1 ARG A 11 -6.767 15.641 6.020 1.00 0.00 N ATOM 182 NH2 ARG A 11 -6.795 14.747 8.096 1.00 0.00 N ATOM 0 H ARG A 11 -3.755 12.599 2.881 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.592 12.106 5.492 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.806 11.195 3.674 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.273 9.979 4.817 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.002 11.212 5.958 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.496 11.766 6.662 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.702 13.544 4.561 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.402 13.252 4.871 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.493 13.920 7.158 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.375 15.677 5.079 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.530 16.267 6.279 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.425 14.084 8.777 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.558 15.372 8.356 1.00 0.00 H new ATOM 196 N PRO A 12 -1.226 10.024 5.371 1.00 0.00 N ATOM 197 CA PRO A 12 -0.243 8.926 5.224 1.00 0.00 C ATOM 198 C PRO A 12 -0.980 7.589 5.029 1.00 0.00 C ATOM 199 O PRO A 12 -1.884 7.281 5.780 1.00 0.00 O ATOM 200 CB PRO A 12 0.514 8.936 6.547 1.00 0.00 C ATOM 201 CG PRO A 12 -0.429 9.547 7.532 1.00 0.00 C ATOM 202 CD PRO A 12 -1.337 10.477 6.769 1.00 0.00 C ATOM 0 HA PRO A 12 0.417 9.049 4.365 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.797 7.927 6.846 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.434 9.516 6.470 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.008 8.775 8.039 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.119 10.091 8.301 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.364 10.414 7.128 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.025 11.516 6.877 1.00 0.00 H new ATOM 210 N PRO A 13 -0.582 6.829 4.030 1.00 0.00 N ATOM 211 CA PRO A 13 -1.242 5.530 3.775 1.00 0.00 C ATOM 212 C PRO A 13 -0.680 4.460 4.712 1.00 0.00 C ATOM 213 O PRO A 13 0.142 4.745 5.564 1.00 0.00 O ATOM 214 CB PRO A 13 -0.892 5.229 2.323 1.00 0.00 C ATOM 215 CG PRO A 13 0.377 5.978 2.048 1.00 0.00 C ATOM 216 CD PRO A 13 0.494 7.092 3.061 1.00 0.00 C ATOM 0 HA PRO A 13 -2.318 5.550 3.948 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.757 4.159 2.167 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.690 5.551 1.653 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.236 5.310 2.116 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.368 6.383 1.036 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.471 7.088 3.543 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.375 8.068 2.592 1.00 0.00 H new ATOM 224 N SER A 14 -1.118 3.234 4.566 1.00 0.00 N ATOM 225 CA SER A 14 -0.607 2.148 5.456 1.00 0.00 C ATOM 226 C SER A 14 -0.965 0.768 4.892 1.00 0.00 C ATOM 227 O SER A 14 -1.640 -0.017 5.530 1.00 0.00 O ATOM 228 CB SER A 14 -1.305 2.380 6.796 1.00 0.00 C ATOM 229 OG SER A 14 -2.684 2.058 6.670 1.00 0.00 O ATOM 0 H SER A 14 -1.805 2.940 3.872 1.00 0.00 H new ATOM 0 HA SER A 14 0.479 2.171 5.547 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.845 1.765 7.570 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.189 3.419 7.104 1.00 0.00 H new ATOM 0 HG SER A 14 -2.777 1.144 6.330 1.00 0.00 H new ATOM 235 N ALA A 15 -0.519 0.463 3.693 1.00 0.00 N ATOM 236 CA ALA A 15 -0.820 -0.865 3.054 1.00 0.00 C ATOM 237 C ALA A 15 -2.306 -0.973 2.708 1.00 0.00 C ATOM 238 O ALA A 15 -2.681 -0.843 1.559 1.00 0.00 O ATOM 239 CB ALA A 15 -0.398 -1.957 4.054 1.00 0.00 C ATOM 0 H ALA A 15 0.050 1.087 3.121 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.272 -0.979 2.119 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.601 -2.939 3.627 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.668 -1.866 4.264 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.962 -1.840 4.980 1.00 0.00 H new ATOM 245 N PHE A 16 -3.156 -1.223 3.680 1.00 0.00 N ATOM 246 CA PHE A 16 -4.630 -1.354 3.398 1.00 0.00 C ATOM 247 C PHE A 16 -5.134 -0.214 2.506 1.00 0.00 C ATOM 248 O PHE A 16 -5.765 -0.442 1.490 1.00 0.00 O ATOM 249 CB PHE A 16 -5.298 -1.280 4.771 1.00 0.00 C ATOM 250 CG PHE A 16 -6.695 -1.844 4.684 1.00 0.00 C ATOM 251 CD1 PHE A 16 -7.694 -1.135 4.005 1.00 0.00 C ATOM 252 CD2 PHE A 16 -6.993 -3.075 5.280 1.00 0.00 C ATOM 253 CE1 PHE A 16 -8.990 -1.657 3.923 1.00 0.00 C ATOM 254 CE2 PHE A 16 -8.290 -3.597 5.198 1.00 0.00 C ATOM 255 CZ PHE A 16 -9.289 -2.888 4.519 1.00 0.00 C ATOM 0 H PHE A 16 -2.894 -1.343 4.659 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.854 -2.280 2.868 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.714 -1.839 5.502 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.333 -0.246 5.115 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.464 -0.185 3.545 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.223 -3.622 5.803 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.760 -1.110 3.400 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -8.520 -4.546 5.658 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.289 -3.291 4.455 1.00 0.00 H new ATOM 265 N PHE A 17 -4.852 1.010 2.876 1.00 0.00 N ATOM 266 CA PHE A 17 -5.304 2.172 2.048 1.00 0.00 C ATOM 267 C PHE A 17 -4.754 2.044 0.623 1.00 0.00 C ATOM 268 O PHE A 17 -5.413 2.389 -0.340 1.00 0.00 O ATOM 269 CB PHE A 17 -4.726 3.410 2.735 1.00 0.00 C ATOM 270 CG PHE A 17 -5.450 4.640 2.245 1.00 0.00 C ATOM 271 CD1 PHE A 17 -6.692 4.986 2.790 1.00 0.00 C ATOM 272 CD2 PHE A 17 -4.879 5.436 1.244 1.00 0.00 C ATOM 273 CE1 PHE A 17 -7.364 6.126 2.336 1.00 0.00 C ATOM 274 CE2 PHE A 17 -5.551 6.578 0.790 1.00 0.00 C ATOM 275 CZ PHE A 17 -6.793 6.923 1.335 1.00 0.00 C ATOM 0 H PHE A 17 -4.328 1.256 3.716 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.390 2.225 1.972 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.829 3.321 3.816 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.660 3.493 2.522 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -7.132 4.372 3.562 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.921 5.169 0.822 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.322 6.392 2.757 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.110 7.193 0.019 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.311 7.803 0.984 1.00 0.00 H new ATOM 285 N LEU A 18 -3.547 1.554 0.489 1.00 0.00 N ATOM 286 CA LEU A 18 -2.938 1.403 -0.869 1.00 0.00 C ATOM 287 C LEU A 18 -3.642 0.289 -1.647 1.00 0.00 C ATOM 288 O LEU A 18 -3.854 0.394 -2.841 1.00 0.00 O ATOM 289 CB LEU A 18 -1.464 1.018 -0.633 1.00 0.00 C ATOM 290 CG LEU A 18 -0.770 2.007 0.323 1.00 0.00 C ATOM 291 CD1 LEU A 18 0.718 1.665 0.403 1.00 0.00 C ATOM 292 CD2 LEU A 18 -0.927 3.444 -0.191 1.00 0.00 C ATOM 0 H LEU A 18 -2.956 1.251 1.263 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.031 2.322 -1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.411 0.011 -0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.935 0.998 -1.586 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.229 1.929 1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.216 2.361 1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.838 0.648 0.777 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.163 1.741 -0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.432 4.132 0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.475 3.528 -1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.986 3.694 -0.254 1.00 0.00 H new ATOM 304 N PHE A 19 -3.997 -0.781 -0.980 1.00 0.00 N ATOM 305 CA PHE A 19 -4.680 -1.916 -1.677 1.00 0.00 C ATOM 306 C PHE A 19 -6.114 -1.536 -2.047 1.00 0.00 C ATOM 307 O PHE A 19 -6.523 -1.661 -3.186 1.00 0.00 O ATOM 308 CB PHE A 19 -4.676 -3.065 -0.666 1.00 0.00 C ATOM 309 CG PHE A 19 -5.197 -4.318 -1.325 1.00 0.00 C ATOM 310 CD1 PHE A 19 -4.327 -5.139 -2.051 1.00 0.00 C ATOM 311 CD2 PHE A 19 -6.550 -4.661 -1.211 1.00 0.00 C ATOM 312 CE1 PHE A 19 -4.807 -6.303 -2.663 1.00 0.00 C ATOM 313 CE2 PHE A 19 -7.032 -5.825 -1.823 1.00 0.00 C ATOM 314 CZ PHE A 19 -6.161 -6.646 -2.549 1.00 0.00 C ATOM 0 H PHE A 19 -3.843 -0.918 0.019 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.177 -2.185 -2.606 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.666 -3.231 -0.293 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.295 -2.809 0.194 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.284 -4.874 -2.139 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.222 -4.028 -0.651 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.134 -6.936 -3.223 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -8.075 -6.089 -1.735 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.532 -7.544 -3.021 1.00 0.00 H new ATOM 324 N CYS A 20 -6.885 -1.078 -1.092 1.00 0.00 N ATOM 325 CA CYS A 20 -8.303 -0.692 -1.380 1.00 0.00 C ATOM 326 C CYS A 20 -8.361 0.367 -2.486 1.00 0.00 C ATOM 327 O CYS A 20 -9.046 0.203 -3.476 1.00 0.00 O ATOM 328 CB CYS A 20 -8.840 -0.121 -0.066 1.00 0.00 C ATOM 329 SG CYS A 20 -10.627 0.137 -0.205 1.00 0.00 S ATOM 0 H CYS A 20 -6.593 -0.954 -0.122 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.891 -1.542 -1.727 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.623 -0.804 0.755 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.343 0.821 0.164 1.00 0.00 H new ATOM 0 HG CYS A 20 -11.084 0.620 0.912 1.00 0.00 H new ATOM 335 N SER A 21 -7.646 1.451 -2.320 1.00 0.00 N ATOM 336 CA SER A 21 -7.656 2.532 -3.358 1.00 0.00 C ATOM 337 C SER A 21 -7.249 1.976 -4.728 1.00 0.00 C ATOM 338 O SER A 21 -7.662 2.478 -5.756 1.00 0.00 O ATOM 339 CB SER A 21 -6.632 3.561 -2.877 1.00 0.00 C ATOM 340 OG SER A 21 -6.756 4.744 -3.655 1.00 0.00 O ATOM 0 H SER A 21 -7.054 1.636 -1.510 1.00 0.00 H new ATOM 0 HA SER A 21 -8.649 2.965 -3.478 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.793 3.786 -1.823 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.624 3.157 -2.966 1.00 0.00 H new ATOM 0 HG SER A 21 -6.102 5.407 -3.349 1.00 0.00 H new ATOM 346 N GLU A 22 -6.439 0.947 -4.747 1.00 0.00 N ATOM 347 CA GLU A 22 -5.996 0.360 -6.048 1.00 0.00 C ATOM 348 C GLU A 22 -6.949 -0.754 -6.495 1.00 0.00 C ATOM 349 O GLU A 22 -7.088 -1.020 -7.675 1.00 0.00 O ATOM 350 CB GLU A 22 -4.607 -0.209 -5.771 1.00 0.00 C ATOM 351 CG GLU A 22 -3.553 0.872 -6.015 1.00 0.00 C ATOM 352 CD GLU A 22 -3.515 1.224 -7.503 1.00 0.00 C ATOM 353 OE1 GLU A 22 -3.040 0.406 -8.273 1.00 0.00 O ATOM 354 OE2 GLU A 22 -3.963 2.305 -7.847 1.00 0.00 O ATOM 0 H GLU A 22 -6.065 0.488 -3.916 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.987 1.102 -6.846 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.547 -0.564 -4.742 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.419 -1.067 -6.416 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.785 1.760 -5.427 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.574 0.520 -5.689 1.00 0.00 H new ATOM 361 N TYR A 23 -7.596 -1.411 -5.564 1.00 0.00 N ATOM 362 CA TYR A 23 -8.530 -2.517 -5.938 1.00 0.00 C ATOM 363 C TYR A 23 -9.976 -2.012 -6.049 1.00 0.00 C ATOM 364 O TYR A 23 -10.903 -2.797 -6.084 1.00 0.00 O ATOM 365 CB TYR A 23 -8.408 -3.536 -4.805 1.00 0.00 C ATOM 366 CG TYR A 23 -7.323 -4.533 -5.140 1.00 0.00 C ATOM 367 CD1 TYR A 23 -5.979 -4.149 -5.081 1.00 0.00 C ATOM 368 CD2 TYR A 23 -7.664 -5.839 -5.510 1.00 0.00 C ATOM 369 CE1 TYR A 23 -4.974 -5.072 -5.393 1.00 0.00 C ATOM 370 CE2 TYR A 23 -6.658 -6.762 -5.821 1.00 0.00 C ATOM 371 CZ TYR A 23 -5.314 -6.379 -5.762 1.00 0.00 C ATOM 372 OH TYR A 23 -4.323 -7.290 -6.069 1.00 0.00 O ATOM 0 H TYR A 23 -7.518 -1.229 -4.563 1.00 0.00 H new ATOM 0 HA TYR A 23 -8.279 -2.942 -6.910 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.174 -3.029 -3.869 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -9.358 -4.051 -4.660 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -5.717 -3.141 -4.795 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.702 -6.135 -5.556 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.936 -4.776 -5.349 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.920 -7.770 -6.107 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.730 -8.150 -6.303 1.00 0.00 H new ATOM 382 N ARG A 24 -10.178 -0.717 -6.109 1.00 0.00 N ATOM 383 CA ARG A 24 -11.559 -0.175 -6.223 1.00 0.00 C ATOM 384 C ARG A 24 -12.023 -0.043 -7.688 1.00 0.00 C ATOM 385 O ARG A 24 -13.148 -0.391 -7.971 1.00 0.00 O ATOM 386 CB ARG A 24 -11.517 1.197 -5.567 1.00 0.00 C ATOM 387 CG ARG A 24 -11.851 1.067 -4.079 1.00 0.00 C ATOM 388 CD ARG A 24 -11.524 2.381 -3.367 1.00 0.00 C ATOM 389 NE ARG A 24 -12.812 3.129 -3.334 1.00 0.00 N ATOM 390 CZ ARG A 24 -13.271 3.586 -2.201 1.00 0.00 C ATOM 391 NH1 ARG A 24 -13.607 2.757 -1.252 1.00 0.00 N ATOM 392 NH2 ARG A 24 -13.396 4.872 -2.020 1.00 0.00 N ATOM 0 H ARG A 24 -9.440 -0.014 -6.083 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.268 -0.850 -5.744 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.529 1.640 -5.691 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.229 1.865 -6.052 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.906 0.825 -3.952 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.281 0.250 -3.637 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.145 2.202 -2.361 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.756 2.940 -3.902 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.335 3.284 -4.196 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.511 1.752 -1.395 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.966 3.114 -0.366 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.135 5.519 -2.764 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.755 5.230 -1.135 1.00 0.00 H new ATOM 406 N PRO A 25 -11.176 0.461 -8.583 1.00 0.00 N ATOM 407 CA PRO A 25 -11.611 0.624 -10.000 1.00 0.00 C ATOM 408 C PRO A 25 -11.868 -0.739 -10.643 1.00 0.00 C ATOM 409 O PRO A 25 -12.552 -0.838 -11.646 1.00 0.00 O ATOM 410 CB PRO A 25 -10.455 1.370 -10.661 1.00 0.00 C ATOM 411 CG PRO A 25 -9.270 1.078 -9.810 1.00 0.00 C ATOM 412 CD PRO A 25 -9.777 0.893 -8.402 1.00 0.00 C ATOM 0 HA PRO A 25 -12.549 1.169 -10.103 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.299 1.029 -11.684 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.652 2.441 -10.708 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.757 0.181 -10.157 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.550 1.895 -9.857 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.195 0.146 -7.863 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.715 1.819 -7.830 1.00 0.00 H new ATOM 420 N LYS A 26 -11.364 -1.794 -10.053 1.00 0.00 N ATOM 421 CA LYS A 26 -11.622 -3.154 -10.604 1.00 0.00 C ATOM 422 C LYS A 26 -13.078 -3.511 -10.327 1.00 0.00 C ATOM 423 O LYS A 26 -13.817 -3.918 -11.203 1.00 0.00 O ATOM 424 CB LYS A 26 -10.697 -4.083 -9.821 1.00 0.00 C ATOM 425 CG LYS A 26 -10.699 -5.471 -10.462 1.00 0.00 C ATOM 426 CD LYS A 26 -11.915 -6.259 -9.972 1.00 0.00 C ATOM 427 CE LYS A 26 -11.652 -7.757 -10.134 1.00 0.00 C ATOM 428 NZ LYS A 26 -12.922 -8.417 -9.720 1.00 0.00 N ATOM 0 H LYS A 26 -10.785 -1.769 -9.213 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.444 -3.225 -11.677 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.685 -3.679 -9.809 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.026 -4.150 -8.784 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.724 -5.381 -11.548 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.782 -6.002 -10.207 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.116 -6.025 -8.926 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.801 -5.971 -10.539 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.396 -8.004 -11.164 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.818 -8.081 -9.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.820 -9.449 -9.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -13.136 -8.169 -8.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.697 -8.095 -10.334 1.00 0.00 H new ATOM 442 N ILE A 27 -13.489 -3.352 -9.094 1.00 0.00 N ATOM 443 CA ILE A 27 -14.899 -3.665 -8.703 1.00 0.00 C ATOM 444 C ILE A 27 -15.884 -2.899 -9.583 1.00 0.00 C ATOM 445 O ILE A 27 -16.976 -3.356 -9.850 1.00 0.00 O ATOM 446 CB ILE A 27 -15.053 -3.157 -7.254 1.00 0.00 C ATOM 447 CG1 ILE A 27 -13.981 -3.743 -6.313 1.00 0.00 C ATOM 448 CG2 ILE A 27 -16.440 -3.534 -6.731 1.00 0.00 C ATOM 449 CD1 ILE A 27 -13.876 -5.257 -6.480 1.00 0.00 C ATOM 0 H ILE A 27 -12.901 -3.015 -8.332 1.00 0.00 H new ATOM 0 HA ILE A 27 -15.101 -4.731 -8.807 1.00 0.00 H new ATOM 0 HB ILE A 27 -14.926 -2.074 -7.269 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -13.016 -3.282 -6.524 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.229 -3.504 -5.279 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -16.552 -3.177 -5.707 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -17.203 -3.077 -7.361 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.554 -4.618 -6.752 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -13.113 -5.645 -5.805 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -14.836 -5.716 -6.245 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.604 -5.492 -7.509 1.00 0.00 H new ATOM 461 N LYS A 28 -15.519 -1.714 -9.982 1.00 0.00 N ATOM 462 CA LYS A 28 -16.455 -0.873 -10.793 1.00 0.00 C ATOM 463 C LYS A 28 -16.605 -1.453 -12.204 1.00 0.00 C ATOM 464 O LYS A 28 -17.678 -1.438 -12.775 1.00 0.00 O ATOM 465 CB LYS A 28 -15.871 0.562 -10.869 1.00 0.00 C ATOM 466 CG LYS A 28 -15.093 0.995 -9.603 1.00 0.00 C ATOM 467 CD LYS A 28 -15.816 0.621 -8.298 1.00 0.00 C ATOM 468 CE LYS A 28 -17.235 1.197 -8.299 1.00 0.00 C ATOM 469 NZ LYS A 28 -17.052 2.668 -8.151 1.00 0.00 N ATOM 0 H LYS A 28 -14.614 -1.287 -9.784 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.440 -0.857 -10.327 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.207 0.627 -11.731 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.686 1.266 -11.040 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.107 0.530 -9.612 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.937 2.073 -9.630 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.855 -0.463 -8.193 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.260 1.004 -7.442 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.759 0.955 -9.224 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -17.828 0.788 -7.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.900 3.081 -7.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.225 2.856 -7.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.903 3.095 -9.087 1.00 0.00 H new ATOM 483 N SER A 29 -15.537 -1.953 -12.769 1.00 0.00 N ATOM 484 CA SER A 29 -15.611 -2.527 -14.152 1.00 0.00 C ATOM 485 C SER A 29 -16.631 -3.671 -14.213 1.00 0.00 C ATOM 486 O SER A 29 -17.162 -3.980 -15.263 1.00 0.00 O ATOM 487 CB SER A 29 -14.206 -3.053 -14.445 1.00 0.00 C ATOM 488 OG SER A 29 -14.138 -3.483 -15.799 1.00 0.00 O ATOM 0 H SER A 29 -14.615 -1.990 -12.335 1.00 0.00 H new ATOM 0 HA SER A 29 -15.931 -1.782 -14.880 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.468 -2.273 -14.262 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.968 -3.880 -13.776 1.00 0.00 H new ATOM 0 HG SER A 29 -13.238 -3.819 -15.991 1.00 0.00 H new ATOM 494 N GLU A 30 -16.900 -4.305 -13.099 1.00 0.00 N ATOM 495 CA GLU A 30 -17.878 -5.436 -13.093 1.00 0.00 C ATOM 496 C GLU A 30 -19.088 -5.111 -12.208 1.00 0.00 C ATOM 497 O GLU A 30 -20.153 -5.674 -12.377 1.00 0.00 O ATOM 498 CB GLU A 30 -17.097 -6.625 -12.520 1.00 0.00 C ATOM 499 CG GLU A 30 -16.731 -7.596 -13.646 1.00 0.00 C ATOM 500 CD GLU A 30 -17.933 -8.490 -13.959 1.00 0.00 C ATOM 501 OE1 GLU A 30 -18.904 -7.979 -14.491 1.00 0.00 O ATOM 502 OE2 GLU A 30 -17.861 -9.671 -13.662 1.00 0.00 O ATOM 0 H GLU A 30 -16.484 -4.088 -12.193 1.00 0.00 H new ATOM 0 HA GLU A 30 -18.272 -5.639 -14.089 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -16.193 -6.273 -12.023 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -17.696 -7.136 -11.767 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.435 -7.042 -14.537 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.877 -8.206 -13.351 1.00 0.00 H new ATOM 509 N HIS A 31 -18.934 -4.214 -11.268 1.00 0.00 N ATOM 510 CA HIS A 31 -20.076 -3.857 -10.371 1.00 0.00 C ATOM 511 C HIS A 31 -20.389 -2.358 -10.502 1.00 0.00 C ATOM 512 O HIS A 31 -19.752 -1.543 -9.866 1.00 0.00 O ATOM 513 CB HIS A 31 -19.613 -4.177 -8.941 1.00 0.00 C ATOM 514 CG HIS A 31 -19.069 -5.580 -8.860 1.00 0.00 C ATOM 515 ND1 HIS A 31 -17.713 -5.848 -8.958 1.00 0.00 N ATOM 516 CD2 HIS A 31 -19.681 -6.797 -8.693 1.00 0.00 C ATOM 517 CE1 HIS A 31 -17.554 -7.178 -8.849 1.00 0.00 C ATOM 518 NE2 HIS A 31 -18.722 -7.806 -8.686 1.00 0.00 N ATOM 0 H HIS A 31 -18.066 -3.712 -11.082 1.00 0.00 H new ATOM 0 HA HIS A 31 -20.979 -4.411 -10.628 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.846 -3.466 -8.634 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -20.448 -4.065 -8.249 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -16.971 -5.161 -9.089 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -20.745 -6.949 -8.584 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -16.598 -7.679 -8.888 1.00 0.00 H new ATOM 526 N PRO A 32 -21.360 -2.034 -11.327 1.00 0.00 N ATOM 527 CA PRO A 32 -21.732 -0.613 -11.524 1.00 0.00 C ATOM 528 C PRO A 32 -22.528 -0.096 -10.326 1.00 0.00 C ATOM 529 O PRO A 32 -22.494 1.078 -10.006 1.00 0.00 O ATOM 530 CB PRO A 32 -22.594 -0.635 -12.781 1.00 0.00 C ATOM 531 CG PRO A 32 -23.148 -2.023 -12.861 1.00 0.00 C ATOM 532 CD PRO A 32 -22.192 -2.937 -12.141 1.00 0.00 C ATOM 0 HA PRO A 32 -20.868 0.044 -11.619 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -23.393 0.104 -12.722 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -22.004 -0.396 -13.666 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -24.137 -2.067 -12.405 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -23.262 -2.330 -13.901 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -22.724 -3.656 -11.518 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -21.586 -3.510 -12.843 1.00 0.00 H new ATOM 540 N GLY A 33 -23.244 -0.966 -9.667 1.00 0.00 N ATOM 541 CA GLY A 33 -24.050 -0.542 -8.488 1.00 0.00 C ATOM 542 C GLY A 33 -23.187 -0.539 -7.217 1.00 0.00 C ATOM 543 O GLY A 33 -23.595 -0.026 -6.193 1.00 0.00 O ATOM 0 H GLY A 33 -23.305 -1.958 -9.897 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -24.459 0.454 -8.659 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -24.897 -1.216 -8.358 1.00 0.00 H new ATOM 547 N LEU A 34 -22.006 -1.115 -7.268 1.00 0.00 N ATOM 548 CA LEU A 34 -21.122 -1.152 -6.053 1.00 0.00 C ATOM 549 C LEU A 34 -20.759 0.270 -5.604 1.00 0.00 C ATOM 550 O LEU A 34 -19.712 0.788 -5.943 1.00 0.00 O ATOM 551 CB LEU A 34 -19.860 -1.917 -6.495 1.00 0.00 C ATOM 552 CG LEU A 34 -19.715 -3.227 -5.700 1.00 0.00 C ATOM 553 CD1 LEU A 34 -19.462 -2.906 -4.227 1.00 0.00 C ATOM 554 CD2 LEU A 34 -20.990 -4.078 -5.833 1.00 0.00 C ATOM 0 H LEU A 34 -21.616 -1.561 -8.098 1.00 0.00 H new ATOM 0 HA LEU A 34 -21.615 -1.631 -5.207 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -19.916 -2.137 -7.561 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -18.979 -1.294 -6.344 1.00 0.00 H new ATOM 0 HG LEU A 34 -18.873 -3.792 -6.101 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -19.359 -3.834 -3.665 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.546 -2.322 -4.134 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -20.300 -2.332 -3.831 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -20.872 -5.001 -5.265 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -21.842 -3.520 -5.445 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -21.160 -4.317 -6.883 1.00 0.00 H new ATOM 566 N SER A 35 -21.620 0.900 -4.844 1.00 0.00 N ATOM 567 CA SER A 35 -21.332 2.287 -4.365 1.00 0.00 C ATOM 568 C SER A 35 -20.243 2.250 -3.291 1.00 0.00 C ATOM 569 O SER A 35 -19.865 1.193 -2.824 1.00 0.00 O ATOM 570 CB SER A 35 -22.650 2.792 -3.776 1.00 0.00 C ATOM 571 OG SER A 35 -23.069 1.911 -2.742 1.00 0.00 O ATOM 0 H SER A 35 -22.511 0.513 -4.534 1.00 0.00 H new ATOM 0 HA SER A 35 -20.975 2.935 -5.165 1.00 0.00 H new ATOM 0 HB2 SER A 35 -22.523 3.800 -3.382 1.00 0.00 H new ATOM 0 HB3 SER A 35 -23.412 2.847 -4.554 1.00 0.00 H new ATOM 0 HG SER A 35 -23.913 2.232 -2.361 1.00 0.00 H new ATOM 577 N ILE A 36 -19.739 3.394 -2.886 1.00 0.00 N ATOM 578 CA ILE A 36 -18.669 3.419 -1.833 1.00 0.00 C ATOM 579 C ILE A 36 -19.135 2.638 -0.593 1.00 0.00 C ATOM 580 O ILE A 36 -18.334 2.082 0.136 1.00 0.00 O ATOM 581 CB ILE A 36 -18.439 4.909 -1.511 1.00 0.00 C ATOM 582 CG1 ILE A 36 -17.656 5.556 -2.660 1.00 0.00 C ATOM 583 CG2 ILE A 36 -17.627 5.054 -0.213 1.00 0.00 C ATOM 584 CD1 ILE A 36 -18.624 6.199 -3.653 1.00 0.00 C ATOM 0 H ILE A 36 -20.021 4.309 -3.238 1.00 0.00 H new ATOM 0 HA ILE A 36 -17.745 2.948 -2.168 1.00 0.00 H new ATOM 0 HB ILE A 36 -19.405 5.398 -1.387 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -16.972 6.308 -2.267 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.048 4.805 -3.165 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -17.472 6.111 0.003 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -18.171 4.592 0.610 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -16.661 4.562 -0.331 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -18.060 6.656 -4.466 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -19.290 5.437 -4.057 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -19.212 6.963 -3.145 1.00 0.00 H new ATOM 596 N GLY A 37 -20.423 2.592 -0.359 1.00 0.00 N ATOM 597 CA GLY A 37 -20.946 1.846 0.822 1.00 0.00 C ATOM 598 C GLY A 37 -20.548 0.374 0.705 1.00 0.00 C ATOM 599 O GLY A 37 -19.696 -0.104 1.425 1.00 0.00 O ATOM 0 H GLY A 37 -21.134 3.040 -0.937 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -20.545 2.271 1.742 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -22.031 1.939 0.874 1.00 0.00 H new ATOM 603 N ASP A 38 -21.152 -0.338 -0.212 1.00 0.00 N ATOM 604 CA ASP A 38 -20.809 -1.781 -0.393 1.00 0.00 C ATOM 605 C ASP A 38 -19.371 -1.930 -0.905 1.00 0.00 C ATOM 606 O ASP A 38 -18.720 -2.917 -0.647 1.00 0.00 O ATOM 607 CB ASP A 38 -21.801 -2.303 -1.435 1.00 0.00 C ATOM 608 CG ASP A 38 -21.908 -3.825 -1.322 1.00 0.00 C ATOM 609 OD1 ASP A 38 -22.091 -4.305 -0.216 1.00 0.00 O ATOM 610 OD2 ASP A 38 -21.803 -4.483 -2.343 1.00 0.00 O ATOM 0 H ASP A 38 -21.869 0.018 -0.844 1.00 0.00 H new ATOM 0 HA ASP A 38 -20.872 -2.334 0.544 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -22.779 -1.847 -1.282 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -21.473 -2.024 -2.436 1.00 0.00 H new ATOM 615 N THR A 39 -18.871 -0.946 -1.605 1.00 0.00 N ATOM 616 CA THR A 39 -17.468 -1.021 -2.124 1.00 0.00 C ATOM 617 C THR A 39 -16.477 -0.978 -0.956 1.00 0.00 C ATOM 618 O THR A 39 -15.386 -1.511 -1.042 1.00 0.00 O ATOM 619 CB THR A 39 -17.316 0.203 -3.039 1.00 0.00 C ATOM 620 OG1 THR A 39 -18.148 0.037 -4.177 1.00 0.00 O ATOM 621 CG2 THR A 39 -15.862 0.355 -3.501 1.00 0.00 C ATOM 0 H THR A 39 -19.373 -0.090 -1.842 1.00 0.00 H new ATOM 0 HA THR A 39 -17.266 -1.945 -2.666 1.00 0.00 H new ATOM 0 HB THR A 39 -17.604 1.095 -2.483 1.00 0.00 H new ATOM 0 HG1 THR A 39 -18.795 0.772 -4.219 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.775 1.228 -4.148 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.216 0.482 -2.633 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.560 -0.536 -4.051 1.00 0.00 H new ATOM 629 N ALA A 40 -16.852 -0.358 0.132 1.00 0.00 N ATOM 630 CA ALA A 40 -15.935 -0.290 1.309 1.00 0.00 C ATOM 631 C ALA A 40 -15.929 -1.636 2.036 1.00 0.00 C ATOM 632 O ALA A 40 -14.887 -2.166 2.373 1.00 0.00 O ATOM 633 CB ALA A 40 -16.513 0.805 2.208 1.00 0.00 C ATOM 0 H ALA A 40 -17.753 0.104 0.257 1.00 0.00 H new ATOM 0 HA ALA A 40 -14.906 -0.072 1.023 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.890 0.913 3.096 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.535 1.749 1.663 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -17.526 0.534 2.506 1.00 0.00 H new ATOM 639 N LYS A 41 -17.091 -2.186 2.286 1.00 0.00 N ATOM 640 CA LYS A 41 -17.167 -3.497 3.000 1.00 0.00 C ATOM 641 C LYS A 41 -16.910 -4.673 2.042 1.00 0.00 C ATOM 642 O LYS A 41 -16.622 -5.773 2.476 1.00 0.00 O ATOM 643 CB LYS A 41 -18.587 -3.556 3.589 1.00 0.00 C ATOM 644 CG LYS A 41 -19.635 -3.624 2.473 1.00 0.00 C ATOM 645 CD LYS A 41 -20.992 -3.170 3.019 1.00 0.00 C ATOM 646 CE LYS A 41 -20.972 -1.657 3.266 1.00 0.00 C ATOM 647 NZ LYS A 41 -21.629 -1.474 4.591 1.00 0.00 N ATOM 0 H LYS A 41 -17.991 -1.783 2.026 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.405 -3.577 3.775 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -18.681 -4.428 4.237 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -18.765 -2.677 4.209 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -19.336 -2.989 1.639 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -19.707 -4.642 2.089 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -21.782 -3.422 2.311 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -21.216 -3.696 3.947 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -19.952 -1.272 3.275 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -21.508 -1.122 2.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -21.653 -0.462 4.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -22.600 -1.843 4.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -21.093 -1.989 5.318 1.00 0.00 H new ATOM 661 N LYS A 42 -17.006 -4.457 0.750 1.00 0.00 N ATOM 662 CA LYS A 42 -16.759 -5.574 -0.217 1.00 0.00 C ATOM 663 C LYS A 42 -15.254 -5.830 -0.344 1.00 0.00 C ATOM 664 O LYS A 42 -14.782 -6.920 -0.086 1.00 0.00 O ATOM 665 CB LYS A 42 -17.344 -5.097 -1.554 1.00 0.00 C ATOM 666 CG LYS A 42 -17.145 -6.170 -2.631 1.00 0.00 C ATOM 667 CD LYS A 42 -17.882 -7.452 -2.229 1.00 0.00 C ATOM 668 CE LYS A 42 -18.480 -8.114 -3.471 1.00 0.00 C ATOM 669 NZ LYS A 42 -18.331 -9.578 -3.238 1.00 0.00 N ATOM 0 H LYS A 42 -17.243 -3.560 0.326 1.00 0.00 H new ATOM 0 HA LYS A 42 -17.218 -6.508 0.107 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -18.406 -4.880 -1.438 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -16.861 -4.169 -1.861 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.519 -5.810 -3.589 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.082 -6.376 -2.760 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -17.194 -8.138 -1.735 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -18.671 -7.220 -1.513 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -19.527 -7.839 -3.599 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -17.956 -7.803 -4.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.720 -10.100 -4.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.324 -9.811 -3.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -18.846 -9.846 -2.375 1.00 0.00 H new ATOM 683 N LEU A 43 -14.503 -4.833 -0.752 1.00 0.00 N ATOM 684 CA LEU A 43 -13.017 -4.999 -0.914 1.00 0.00 C ATOM 685 C LEU A 43 -12.390 -5.689 0.307 1.00 0.00 C ATOM 686 O LEU A 43 -11.375 -6.350 0.199 1.00 0.00 O ATOM 687 CB LEU A 43 -12.475 -3.574 -1.052 1.00 0.00 C ATOM 688 CG LEU A 43 -12.923 -2.983 -2.390 1.00 0.00 C ATOM 689 CD1 LEU A 43 -12.748 -1.463 -2.360 1.00 0.00 C ATOM 690 CD2 LEU A 43 -12.072 -3.571 -3.516 1.00 0.00 C ATOM 0 H LEU A 43 -14.856 -3.904 -0.982 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.778 -5.625 -1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.836 -2.955 -0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.387 -3.580 -0.992 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.972 -3.225 -2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.067 -1.041 -3.313 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.353 -1.043 -1.557 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.699 -1.221 -2.189 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.390 -3.151 -4.470 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.023 -3.328 -3.344 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.195 -4.654 -3.538 1.00 0.00 H new ATOM 702 N GLY A 44 -12.994 -5.544 1.459 1.00 0.00 N ATOM 703 CA GLY A 44 -12.444 -6.196 2.683 1.00 0.00 C ATOM 704 C GLY A 44 -12.543 -7.715 2.531 1.00 0.00 C ATOM 705 O GLY A 44 -11.683 -8.451 2.974 1.00 0.00 O ATOM 0 H GLY A 44 -13.845 -5.001 1.604 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.405 -5.900 2.832 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.998 -5.870 3.563 1.00 0.00 H new ATOM 709 N GLU A 45 -13.596 -8.188 1.909 1.00 0.00 N ATOM 710 CA GLU A 45 -13.777 -9.667 1.720 1.00 0.00 C ATOM 711 C GLU A 45 -12.519 -10.304 1.112 1.00 0.00 C ATOM 712 O GLU A 45 -12.145 -11.408 1.460 1.00 0.00 O ATOM 713 CB GLU A 45 -14.958 -9.804 0.754 1.00 0.00 C ATOM 714 CG GLU A 45 -15.705 -11.107 1.041 1.00 0.00 C ATOM 715 CD GLU A 45 -16.822 -11.293 0.013 1.00 0.00 C ATOM 716 OE1 GLU A 45 -16.549 -11.132 -1.165 1.00 0.00 O ATOM 717 OE2 GLU A 45 -17.932 -11.592 0.420 1.00 0.00 O ATOM 0 H GLU A 45 -14.343 -7.612 1.521 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.955 -10.173 2.669 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.632 -8.954 0.864 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.602 -9.796 -0.276 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.015 -11.950 1.001 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.123 -11.085 2.047 1.00 0.00 H new ATOM 724 N MET A 46 -11.870 -9.613 0.210 1.00 0.00 N ATOM 725 CA MET A 46 -10.637 -10.170 -0.425 1.00 0.00 C ATOM 726 C MET A 46 -9.422 -9.934 0.476 1.00 0.00 C ATOM 727 O MET A 46 -8.583 -10.798 0.644 1.00 0.00 O ATOM 728 CB MET A 46 -10.482 -9.402 -1.738 1.00 0.00 C ATOM 729 CG MET A 46 -11.559 -9.852 -2.726 1.00 0.00 C ATOM 730 SD MET A 46 -11.341 -8.971 -4.294 1.00 0.00 S ATOM 731 CE MET A 46 -12.787 -9.651 -5.141 1.00 0.00 C ATOM 0 H MET A 46 -12.141 -8.685 -0.115 1.00 0.00 H new ATOM 0 HA MET A 46 -10.710 -11.245 -0.587 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.566 -8.331 -1.556 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.492 -9.577 -2.159 1.00 0.00 H new ATOM 0 HG2 MET A 46 -11.493 -10.928 -2.888 1.00 0.00 H new ATOM 0 HG3 MET A 46 -12.550 -9.651 -2.318 1.00 0.00 H new ATOM 0 HE1 MET A 46 -12.849 -9.235 -6.147 1.00 0.00 H new ATOM 0 HE2 MET A 46 -12.696 -10.736 -5.202 1.00 0.00 H new ATOM 0 HE3 MET A 46 -13.689 -9.393 -4.586 1.00 0.00 H new ATOM 741 N TRP A 47 -9.318 -8.758 1.045 1.00 0.00 N ATOM 742 CA TRP A 47 -8.150 -8.433 1.930 1.00 0.00 C ATOM 743 C TRP A 47 -7.914 -9.529 2.979 1.00 0.00 C ATOM 744 O TRP A 47 -6.790 -9.786 3.367 1.00 0.00 O ATOM 745 CB TRP A 47 -8.518 -7.115 2.615 1.00 0.00 C ATOM 746 CG TRP A 47 -7.348 -6.625 3.409 1.00 0.00 C ATOM 747 CD1 TRP A 47 -7.307 -6.532 4.757 1.00 0.00 C ATOM 748 CD2 TRP A 47 -6.051 -6.166 2.927 1.00 0.00 C ATOM 749 NE1 TRP A 47 -6.068 -6.045 5.135 1.00 0.00 N ATOM 750 CE2 TRP A 47 -5.259 -5.804 4.043 1.00 0.00 C ATOM 751 CE3 TRP A 47 -5.491 -6.031 1.644 1.00 0.00 C ATOM 752 CZ2 TRP A 47 -3.957 -5.323 3.890 1.00 0.00 C ATOM 753 CZ3 TRP A 47 -4.182 -5.548 1.487 1.00 0.00 C ATOM 754 CH2 TRP A 47 -3.416 -5.195 2.608 1.00 0.00 C ATOM 0 H TRP A 47 -9.995 -8.003 0.935 1.00 0.00 H new ATOM 0 HA TRP A 47 -7.228 -8.359 1.353 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.803 -6.372 1.870 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -9.380 -7.259 3.267 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.110 -6.795 5.429 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.787 -5.884 6.102 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -6.071 -6.301 0.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -3.372 -5.052 4.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.762 -5.448 0.497 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -2.409 -4.825 2.480 1.00 0.00 H new ATOM 765 N SER A 48 -8.958 -10.170 3.444 1.00 0.00 N ATOM 766 CA SER A 48 -8.785 -11.243 4.470 1.00 0.00 C ATOM 767 C SER A 48 -8.663 -12.616 3.799 1.00 0.00 C ATOM 768 O SER A 48 -8.102 -13.538 4.361 1.00 0.00 O ATOM 769 CB SER A 48 -10.049 -11.177 5.326 1.00 0.00 C ATOM 770 OG SER A 48 -9.891 -12.017 6.461 1.00 0.00 O ATOM 0 H SER A 48 -9.921 -9.996 3.157 1.00 0.00 H new ATOM 0 HA SER A 48 -7.880 -11.102 5.061 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.235 -10.151 5.642 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.914 -11.493 4.743 1.00 0.00 H new ATOM 0 HG SER A 48 -10.699 -11.976 7.013 1.00 0.00 H new ATOM 776 N GLU A 49 -9.183 -12.759 2.605 1.00 0.00 N ATOM 777 CA GLU A 49 -9.095 -14.076 1.898 1.00 0.00 C ATOM 778 C GLU A 49 -7.630 -14.419 1.610 1.00 0.00 C ATOM 779 O GLU A 49 -7.201 -15.542 1.791 1.00 0.00 O ATOM 780 CB GLU A 49 -9.867 -13.887 0.591 1.00 0.00 C ATOM 781 CG GLU A 49 -11.356 -14.138 0.836 1.00 0.00 C ATOM 782 CD GLU A 49 -11.646 -15.636 0.730 1.00 0.00 C ATOM 783 OE1 GLU A 49 -11.573 -16.157 -0.371 1.00 0.00 O ATOM 784 OE2 GLU A 49 -11.935 -16.237 1.752 1.00 0.00 O ATOM 0 H GLU A 49 -9.664 -12.022 2.089 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.506 -14.891 2.494 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.716 -12.877 0.210 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.492 -14.574 -0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.640 -13.771 1.822 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.953 -13.589 0.108 1.00 0.00 H new ATOM 791 N GLN A 50 -6.867 -13.455 1.162 1.00 0.00 N ATOM 792 CA GLN A 50 -5.426 -13.713 0.857 1.00 0.00 C ATOM 793 C GLN A 50 -4.683 -14.142 2.124 1.00 0.00 C ATOM 794 O GLN A 50 -5.104 -13.856 3.229 1.00 0.00 O ATOM 795 CB GLN A 50 -4.877 -12.380 0.343 1.00 0.00 C ATOM 796 CG GLN A 50 -5.479 -12.075 -1.030 1.00 0.00 C ATOM 797 CD GLN A 50 -4.691 -12.817 -2.111 1.00 0.00 C ATOM 798 OE1 GLN A 50 -3.503 -12.611 -2.263 1.00 0.00 O ATOM 799 NE2 GLN A 50 -5.306 -13.680 -2.873 1.00 0.00 N ATOM 0 H GLN A 50 -7.180 -12.499 0.994 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.301 -14.513 0.127 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.119 -11.581 1.044 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.790 -12.425 0.273 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.526 -12.379 -1.055 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.454 -11.002 -1.219 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.303 -13.853 -2.746 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.789 -14.181 -3.596 1.00 0.00 H new ATOM 808 N SER A 51 -3.576 -14.819 1.964 1.00 0.00 N ATOM 809 CA SER A 51 -2.784 -15.266 3.149 1.00 0.00 C ATOM 810 C SER A 51 -1.811 -14.151 3.558 1.00 0.00 C ATOM 811 O SER A 51 -2.107 -12.982 3.394 1.00 0.00 O ATOM 812 CB SER A 51 -2.037 -16.511 2.667 1.00 0.00 C ATOM 813 OG SER A 51 -1.382 -17.122 3.771 1.00 0.00 O ATOM 0 H SER A 51 -3.185 -15.083 1.060 1.00 0.00 H new ATOM 0 HA SER A 51 -3.398 -15.486 4.022 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.734 -17.213 2.209 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.309 -16.239 1.902 1.00 0.00 H new ATOM 0 HG SER A 51 -0.904 -17.921 3.466 1.00 0.00 H new ATOM 819 N ALA A 52 -0.655 -14.493 4.078 1.00 0.00 N ATOM 820 CA ALA A 52 0.326 -13.440 4.484 1.00 0.00 C ATOM 821 C ALA A 52 1.149 -12.988 3.269 1.00 0.00 C ATOM 822 O ALA A 52 2.366 -13.012 3.291 1.00 0.00 O ATOM 823 CB ALA A 52 1.224 -14.114 5.522 1.00 0.00 C ATOM 0 H ALA A 52 -0.351 -15.453 4.238 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.162 -12.552 4.885 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.974 -13.404 5.871 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.619 -14.446 6.366 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.720 -14.973 5.071 1.00 0.00 H new ATOM 829 N LYS A 53 0.492 -12.581 2.211 1.00 0.00 N ATOM 830 CA LYS A 53 1.227 -12.131 0.989 1.00 0.00 C ATOM 831 C LYS A 53 0.709 -10.766 0.520 1.00 0.00 C ATOM 832 O LYS A 53 1.463 -9.937 0.050 1.00 0.00 O ATOM 833 CB LYS A 53 0.932 -13.202 -0.062 1.00 0.00 C ATOM 834 CG LYS A 53 2.178 -13.435 -0.919 1.00 0.00 C ATOM 835 CD LYS A 53 2.003 -14.715 -1.737 1.00 0.00 C ATOM 836 CE LYS A 53 3.301 -15.026 -2.486 1.00 0.00 C ATOM 837 NZ LYS A 53 2.925 -16.054 -3.495 1.00 0.00 N ATOM 0 H LYS A 53 -0.525 -12.541 2.141 1.00 0.00 H new ATOM 0 HA LYS A 53 2.295 -12.015 1.173 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.633 -14.131 0.424 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.099 -12.889 -0.691 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.340 -12.586 -1.583 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.060 -13.515 -0.283 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.742 -15.545 -1.081 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.182 -14.597 -2.444 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.705 -14.133 -2.963 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.068 -15.400 -1.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.764 -16.319 -4.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.550 -16.895 -3.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.198 -15.667 -4.130 1.00 0.00 H new ATOM 851 N ASP A 54 -0.574 -10.532 0.633 1.00 0.00 N ATOM 852 CA ASP A 54 -1.146 -9.223 0.185 1.00 0.00 C ATOM 853 C ASP A 54 -0.490 -8.057 0.935 1.00 0.00 C ATOM 854 O ASP A 54 -0.246 -7.009 0.367 1.00 0.00 O ATOM 855 CB ASP A 54 -2.643 -9.298 0.510 1.00 0.00 C ATOM 856 CG ASP A 54 -2.843 -9.542 2.009 1.00 0.00 C ATOM 857 OD1 ASP A 54 -2.865 -8.572 2.750 1.00 0.00 O ATOM 858 OD2 ASP A 54 -2.969 -10.694 2.390 1.00 0.00 O ATOM 0 H ASP A 54 -1.252 -11.191 1.016 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.969 -9.050 -0.877 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.134 -8.371 0.216 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.108 -10.101 -0.063 1.00 0.00 H new ATOM 863 N LYS A 55 -0.218 -8.223 2.207 1.00 0.00 N ATOM 864 CA LYS A 55 0.405 -7.113 2.991 1.00 0.00 C ATOM 865 C LYS A 55 1.934 -7.225 3.004 1.00 0.00 C ATOM 866 O LYS A 55 2.580 -6.725 3.901 1.00 0.00 O ATOM 867 CB LYS A 55 -0.150 -7.265 4.408 1.00 0.00 C ATOM 868 CG LYS A 55 0.149 -5.999 5.214 1.00 0.00 C ATOM 869 CD LYS A 55 -0.718 -5.979 6.474 1.00 0.00 C ATOM 870 CE LYS A 55 -0.649 -4.594 7.120 1.00 0.00 C ATOM 871 NZ LYS A 55 0.735 -4.492 7.660 1.00 0.00 N ATOM 0 H LYS A 55 -0.400 -9.077 2.734 1.00 0.00 H new ATOM 0 HA LYS A 55 0.174 -6.141 2.555 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.225 -7.440 4.372 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.298 -8.132 4.894 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.204 -5.969 5.485 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.050 -5.114 4.609 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.750 -6.223 6.222 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.374 -6.737 7.177 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.848 -3.808 6.392 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.391 -4.490 7.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.777 -3.730 8.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.001 -5.393 8.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.396 -4.282 6.885 1.00 0.00 H new ATOM 885 N GLN A 56 2.518 -7.878 2.028 1.00 0.00 N ATOM 886 CA GLN A 56 4.011 -8.001 2.009 1.00 0.00 C ATOM 887 C GLN A 56 4.629 -6.942 1.075 1.00 0.00 C ATOM 888 O GLN A 56 5.451 -6.163 1.514 1.00 0.00 O ATOM 889 CB GLN A 56 4.311 -9.421 1.517 1.00 0.00 C ATOM 890 CG GLN A 56 4.720 -10.304 2.698 1.00 0.00 C ATOM 891 CD GLN A 56 6.184 -10.036 3.053 1.00 0.00 C ATOM 892 OE1 GLN A 56 7.049 -10.098 2.203 1.00 0.00 O ATOM 893 NE2 GLN A 56 6.500 -9.740 4.284 1.00 0.00 N ATOM 0 H GLN A 56 2.032 -8.327 1.251 1.00 0.00 H new ATOM 0 HA GLN A 56 4.442 -7.831 2.995 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.432 -9.839 1.026 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.109 -9.398 0.775 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.083 -10.098 3.558 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.583 -11.355 2.444 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.774 -9.688 4.998 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.473 -9.561 4.532 1.00 0.00 H new ATOM 902 N PRO A 57 4.229 -6.927 -0.185 1.00 0.00 N ATOM 903 CA PRO A 57 4.784 -5.928 -1.129 1.00 0.00 C ATOM 904 C PRO A 57 4.037 -4.595 -1.007 1.00 0.00 C ATOM 905 O PRO A 57 4.598 -3.538 -1.215 1.00 0.00 O ATOM 906 CB PRO A 57 4.531 -6.545 -2.495 1.00 0.00 C ATOM 907 CG PRO A 57 3.350 -7.444 -2.309 1.00 0.00 C ATOM 908 CD PRO A 57 3.258 -7.812 -0.848 1.00 0.00 C ATOM 0 HA PRO A 57 5.836 -5.713 -0.943 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.327 -5.777 -3.242 1.00 0.00 H new ATOM 0 HB3 PRO A 57 5.400 -7.104 -2.841 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.437 -6.943 -2.632 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.455 -8.340 -2.920 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.251 -7.656 -0.462 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.503 -8.862 -0.687 1.00 0.00 H new ATOM 916 N TYR A 58 2.767 -4.645 -0.692 1.00 0.00 N ATOM 917 CA TYR A 58 1.965 -3.387 -0.577 1.00 0.00 C ATOM 918 C TYR A 58 2.155 -2.713 0.791 1.00 0.00 C ATOM 919 O TYR A 58 1.581 -1.671 1.049 1.00 0.00 O ATOM 920 CB TYR A 58 0.512 -3.835 -0.748 1.00 0.00 C ATOM 921 CG TYR A 58 0.120 -3.740 -2.203 1.00 0.00 C ATOM 922 CD1 TYR A 58 -0.357 -2.530 -2.723 1.00 0.00 C ATOM 923 CD2 TYR A 58 0.231 -4.863 -3.032 1.00 0.00 C ATOM 924 CE1 TYR A 58 -0.721 -2.444 -4.072 1.00 0.00 C ATOM 925 CE2 TYR A 58 -0.133 -4.776 -4.381 1.00 0.00 C ATOM 926 CZ TYR A 58 -0.610 -3.566 -4.901 1.00 0.00 C ATOM 927 OH TYR A 58 -0.969 -3.481 -6.230 1.00 0.00 O ATOM 0 H TYR A 58 2.249 -5.505 -0.509 1.00 0.00 H new ATOM 0 HA TYR A 58 2.272 -2.651 -1.320 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.393 -4.859 -0.395 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.145 -3.211 -0.142 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -0.444 -1.664 -2.084 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.597 -5.796 -2.631 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.088 -1.511 -4.473 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.046 -5.642 -5.021 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.829 -4.349 -6.663 1.00 0.00 H new ATOM 937 N GLU A 59 2.942 -3.289 1.670 1.00 0.00 N ATOM 938 CA GLU A 59 3.142 -2.665 3.015 1.00 0.00 C ATOM 939 C GLU A 59 4.369 -1.741 3.011 1.00 0.00 C ATOM 940 O GLU A 59 4.462 -0.822 3.804 1.00 0.00 O ATOM 941 CB GLU A 59 3.332 -3.846 3.976 1.00 0.00 C ATOM 942 CG GLU A 59 4.651 -4.575 3.675 1.00 0.00 C ATOM 943 CD GLU A 59 5.719 -4.143 4.683 1.00 0.00 C ATOM 944 OE1 GLU A 59 5.719 -2.981 5.055 1.00 0.00 O ATOM 945 OE2 GLU A 59 6.518 -4.981 5.065 1.00 0.00 O ATOM 0 H GLU A 59 3.451 -4.159 1.514 1.00 0.00 H new ATOM 0 HA GLU A 59 2.299 -2.040 3.309 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.334 -3.489 5.006 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.496 -4.539 3.880 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.502 -5.654 3.728 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.981 -4.348 2.661 1.00 0.00 H new ATOM 952 N GLN A 60 5.304 -1.975 2.123 1.00 0.00 N ATOM 953 CA GLN A 60 6.521 -1.108 2.066 1.00 0.00 C ATOM 954 C GLN A 60 6.207 0.204 1.336 1.00 0.00 C ATOM 955 O GLN A 60 6.867 1.206 1.539 1.00 0.00 O ATOM 956 CB GLN A 60 7.577 -1.922 1.308 1.00 0.00 C ATOM 957 CG GLN A 60 7.066 -2.288 -0.086 1.00 0.00 C ATOM 958 CD GLN A 60 8.252 -2.600 -1.000 1.00 0.00 C ATOM 959 OE1 GLN A 60 9.264 -1.929 -0.953 1.00 0.00 O ATOM 960 NE2 GLN A 60 8.171 -3.600 -1.835 1.00 0.00 N ATOM 0 H GLN A 60 5.277 -2.728 1.436 1.00 0.00 H new ATOM 0 HA GLN A 60 6.873 -0.836 3.061 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.499 -1.346 1.225 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.816 -2.828 1.865 1.00 0.00 H new ATOM 0 HG2 GLN A 60 6.403 -3.151 -0.027 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.482 -1.465 -0.498 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.322 -4.164 -1.875 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.957 -3.818 -2.448 1.00 0.00 H new ATOM 969 N LYS A 61 5.202 0.206 0.493 1.00 0.00 N ATOM 970 CA LYS A 61 4.840 1.455 -0.246 1.00 0.00 C ATOM 971 C LYS A 61 4.437 2.550 0.746 1.00 0.00 C ATOM 972 O LYS A 61 4.859 3.685 0.631 1.00 0.00 O ATOM 973 CB LYS A 61 3.657 1.066 -1.139 1.00 0.00 C ATOM 974 CG LYS A 61 3.209 2.277 -1.962 1.00 0.00 C ATOM 975 CD LYS A 61 2.275 1.816 -3.083 1.00 0.00 C ATOM 976 CE LYS A 61 1.948 3.000 -3.995 1.00 0.00 C ATOM 977 NZ LYS A 61 1.294 2.397 -5.189 1.00 0.00 N ATOM 0 H LYS A 61 4.617 -0.604 0.285 1.00 0.00 H new ATOM 0 HA LYS A 61 5.671 1.847 -0.832 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.943 0.250 -1.802 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.831 0.705 -0.527 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.698 2.996 -1.322 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.077 2.785 -2.383 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.746 1.019 -3.659 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.358 1.405 -2.661 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.286 3.710 -3.499 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.850 3.546 -4.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.040 3.148 -5.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.950 1.731 -5.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.435 1.890 -4.895 1.00 0.00 H new ATOM 991 N ALA A 62 3.633 2.213 1.722 1.00 0.00 N ATOM 992 CA ALA A 62 3.209 3.230 2.733 1.00 0.00 C ATOM 993 C ALA A 62 4.390 3.614 3.637 1.00 0.00 C ATOM 994 O ALA A 62 4.320 4.582 4.373 1.00 0.00 O ATOM 995 CB ALA A 62 2.109 2.552 3.552 1.00 0.00 C ATOM 0 H ALA A 62 3.251 1.278 1.863 1.00 0.00 H new ATOM 0 HA ALA A 62 2.858 4.148 2.262 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.748 3.240 4.316 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.285 2.274 2.895 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.510 1.658 4.029 1.00 0.00 H new ATOM 1001 N ALA A 63 5.479 2.881 3.576 1.00 0.00 N ATOM 1002 CA ALA A 63 6.662 3.222 4.419 1.00 0.00 C ATOM 1003 C ALA A 63 7.575 4.214 3.681 1.00 0.00 C ATOM 1004 O ALA A 63 8.648 4.540 4.152 1.00 0.00 O ATOM 1005 CB ALA A 63 7.385 1.894 4.644 1.00 0.00 C ATOM 0 H ALA A 63 5.595 2.063 2.978 1.00 0.00 H new ATOM 0 HA ALA A 63 6.375 3.695 5.358 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.270 2.061 5.258 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.717 1.198 5.151 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.684 1.475 3.683 1.00 0.00 H new ATOM 1011 N LYS A 64 7.146 4.722 2.547 1.00 0.00 N ATOM 1012 CA LYS A 64 7.966 5.719 1.802 1.00 0.00 C ATOM 1013 C LYS A 64 7.327 7.099 1.945 1.00 0.00 C ATOM 1014 O LYS A 64 8.001 8.109 2.024 1.00 0.00 O ATOM 1015 CB LYS A 64 7.928 5.256 0.346 1.00 0.00 C ATOM 1016 CG LYS A 64 8.863 4.059 0.165 1.00 0.00 C ATOM 1017 CD LYS A 64 10.313 4.507 0.356 1.00 0.00 C ATOM 1018 CE LYS A 64 11.257 3.407 -0.134 1.00 0.00 C ATOM 1019 NZ LYS A 64 12.584 4.070 -0.264 1.00 0.00 N ATOM 0 H LYS A 64 6.257 4.484 2.108 1.00 0.00 H new ATOM 0 HA LYS A 64 8.989 5.789 2.172 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.911 4.981 0.067 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.230 6.070 -0.313 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.615 3.279 0.885 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.732 3.630 -0.828 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.495 5.429 -0.196 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.503 4.722 1.408 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.297 2.578 0.572 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.925 2.998 -1.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.286 3.379 -0.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.516 4.851 -0.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.877 4.444 0.661 1.00 0.00 H new ATOM 1033 N LEU A 65 6.022 7.132 1.998 1.00 0.00 N ATOM 1034 CA LEU A 65 5.297 8.425 2.160 1.00 0.00 C ATOM 1035 C LEU A 65 5.287 8.850 3.635 1.00 0.00 C ATOM 1036 O LEU A 65 4.818 9.920 3.973 1.00 0.00 O ATOM 1037 CB LEU A 65 3.874 8.134 1.679 1.00 0.00 C ATOM 1038 CG LEU A 65 3.804 8.284 0.159 1.00 0.00 C ATOM 1039 CD1 LEU A 65 4.338 7.011 -0.501 1.00 0.00 C ATOM 1040 CD2 LEU A 65 2.351 8.505 -0.263 1.00 0.00 C ATOM 0 H LEU A 65 5.422 6.310 1.935 1.00 0.00 H new ATOM 0 HA LEU A 65 5.765 9.236 1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.581 7.125 1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.172 8.819 2.155 1.00 0.00 H new ATOM 0 HG LEU A 65 4.407 9.137 -0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.289 7.115 -1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.373 6.851 -0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.733 6.159 -0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.299 8.612 -1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.748 7.651 0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.968 9.410 0.210 1.00 0.00 H new ATOM 1052 N LYS A 66 5.810 8.025 4.516 1.00 0.00 N ATOM 1053 CA LYS A 66 5.838 8.387 5.960 1.00 0.00 C ATOM 1054 C LYS A 66 7.016 9.325 6.223 1.00 0.00 C ATOM 1055 O LYS A 66 6.954 10.184 7.082 1.00 0.00 O ATOM 1056 CB LYS A 66 6.025 7.058 6.700 1.00 0.00 C ATOM 1057 CG LYS A 66 6.094 7.309 8.209 1.00 0.00 C ATOM 1058 CD LYS A 66 4.697 7.164 8.817 1.00 0.00 C ATOM 1059 CE LYS A 66 4.310 5.685 8.865 1.00 0.00 C ATOM 1060 NZ LYS A 66 2.823 5.679 8.938 1.00 0.00 N ATOM 0 H LYS A 66 6.217 7.117 4.290 1.00 0.00 H new ATOM 0 HA LYS A 66 4.934 8.901 6.286 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.199 6.385 6.472 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.938 6.568 6.362 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.780 6.601 8.675 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.485 8.307 8.404 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.681 7.587 9.821 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.972 7.721 8.224 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.664 5.155 7.981 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.750 5.190 9.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.481 4.697 8.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.515 6.184 9.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.432 6.151 8.098 1.00 0.00 H new ATOM 1074 N GLU A 67 8.085 9.173 5.481 1.00 0.00 N ATOM 1075 CA GLU A 67 9.263 10.066 5.683 1.00 0.00 C ATOM 1076 C GLU A 67 8.917 11.483 5.225 1.00 0.00 C ATOM 1077 O GLU A 67 8.907 12.414 6.005 1.00 0.00 O ATOM 1078 CB GLU A 67 10.376 9.476 4.814 1.00 0.00 C ATOM 1079 CG GLU A 67 11.294 8.606 5.675 1.00 0.00 C ATOM 1080 CD GLU A 67 12.002 7.578 4.792 1.00 0.00 C ATOM 1081 OE1 GLU A 67 12.814 7.985 3.977 1.00 0.00 O ATOM 1082 OE2 GLU A 67 11.720 6.400 4.944 1.00 0.00 O ATOM 0 H GLU A 67 8.191 8.472 4.748 1.00 0.00 H new ATOM 0 HA GLU A 67 9.564 10.126 6.729 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.945 8.881 4.008 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.950 10.277 4.347 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.028 9.229 6.186 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.714 8.100 6.446 1.00 0.00 H new ATOM 1089 N LYS A 68 8.637 11.649 3.958 1.00 0.00 N ATOM 1090 CA LYS A 68 8.294 13.007 3.423 1.00 0.00 C ATOM 1091 C LYS A 68 7.125 13.626 4.197 1.00 0.00 C ATOM 1092 O LYS A 68 6.970 14.831 4.238 1.00 0.00 O ATOM 1093 CB LYS A 68 7.897 12.775 1.963 1.00 0.00 C ATOM 1094 CG LYS A 68 9.123 12.947 1.064 1.00 0.00 C ATOM 1095 CD LYS A 68 9.776 11.583 0.824 1.00 0.00 C ATOM 1096 CE LYS A 68 8.919 10.769 -0.148 1.00 0.00 C ATOM 1097 NZ LYS A 68 9.437 9.376 -0.043 1.00 0.00 N ATOM 0 H LYS A 68 8.630 10.900 3.265 1.00 0.00 H new ATOM 0 HA LYS A 68 9.132 13.697 3.520 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.483 11.774 1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.118 13.479 1.671 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.831 13.394 0.114 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.836 13.627 1.530 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.779 11.715 0.418 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.882 11.048 1.768 1.00 0.00 H new ATOM 0 HE2 LYS A 68 7.863 10.819 0.119 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.009 11.148 -1.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.354 8.904 -0.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.436 9.398 0.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.883 8.852 0.665 1.00 0.00 H new ATOM 1111 N TYR A 69 6.302 12.813 4.810 1.00 0.00 N ATOM 1112 CA TYR A 69 5.143 13.355 5.581 1.00 0.00 C ATOM 1113 C TYR A 69 5.607 13.863 6.952 1.00 0.00 C ATOM 1114 O TYR A 69 5.606 15.049 7.215 1.00 0.00 O ATOM 1115 CB TYR A 69 4.176 12.172 5.729 1.00 0.00 C ATOM 1116 CG TYR A 69 2.966 12.586 6.541 1.00 0.00 C ATOM 1117 CD1 TYR A 69 2.236 13.726 6.183 1.00 0.00 C ATOM 1118 CD2 TYR A 69 2.577 11.827 7.651 1.00 0.00 C ATOM 1119 CE1 TYR A 69 1.117 14.107 6.935 1.00 0.00 C ATOM 1120 CE2 TYR A 69 1.460 12.208 8.404 1.00 0.00 C ATOM 1121 CZ TYR A 69 0.730 13.347 8.045 1.00 0.00 C ATOM 1122 OH TYR A 69 -0.372 13.723 8.787 1.00 0.00 O ATOM 0 H TYR A 69 6.383 11.796 4.810 1.00 0.00 H new ATOM 0 HA TYR A 69 4.670 14.201 5.081 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.861 11.824 4.745 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.682 11.338 6.215 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.536 14.312 5.327 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.139 10.947 7.927 1.00 0.00 H new ATOM 0 HE1 TYR A 69 0.554 14.986 6.659 1.00 0.00 H new ATOM 0 HE2 TYR A 69 1.162 11.623 9.262 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.504 13.088 9.522 1.00 0.00 H new ATOM 1132 N GLU A 70 5.992 12.968 7.826 1.00 0.00 N ATOM 1133 CA GLU A 70 6.444 13.382 9.193 1.00 0.00 C ATOM 1134 C GLU A 70 7.703 14.261 9.135 1.00 0.00 C ATOM 1135 O GLU A 70 8.066 14.886 10.114 1.00 0.00 O ATOM 1136 CB GLU A 70 6.748 12.074 9.926 1.00 0.00 C ATOM 1137 CG GLU A 70 5.445 11.309 10.168 1.00 0.00 C ATOM 1138 CD GLU A 70 5.707 10.145 11.126 1.00 0.00 C ATOM 1139 OE1 GLU A 70 6.511 9.294 10.786 1.00 0.00 O ATOM 1140 OE2 GLU A 70 5.097 10.124 12.182 1.00 0.00 O ATOM 0 H GLU A 70 6.013 11.963 7.652 1.00 0.00 H new ATOM 0 HA GLU A 70 5.681 13.978 9.695 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.435 11.466 9.337 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.241 12.283 10.875 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.692 11.976 10.587 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.050 10.935 9.224 1.00 0.00 H new ATOM 1147 N LYS A 71 8.377 14.311 8.011 1.00 0.00 N ATOM 1148 CA LYS A 71 9.614 15.147 7.916 1.00 0.00 C ATOM 1149 C LYS A 71 9.310 16.500 7.268 1.00 0.00 C ATOM 1150 O LYS A 71 9.995 17.477 7.509 1.00 0.00 O ATOM 1151 CB LYS A 71 10.566 14.337 7.037 1.00 0.00 C ATOM 1152 CG LYS A 71 12.001 14.820 7.251 1.00 0.00 C ATOM 1153 CD LYS A 71 12.976 13.727 6.806 1.00 0.00 C ATOM 1154 CE LYS A 71 14.414 14.209 7.011 1.00 0.00 C ATOM 1155 NZ LYS A 71 15.145 13.022 7.532 1.00 0.00 N ATOM 0 H LYS A 71 8.125 13.811 7.159 1.00 0.00 H new ATOM 0 HA LYS A 71 10.036 15.362 8.898 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.489 13.277 7.280 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.288 14.444 5.988 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.178 15.734 6.683 1.00 0.00 H new ATOM 0 HG3 LYS A 71 12.163 15.061 8.302 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.802 12.815 7.378 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.810 13.482 5.757 1.00 0.00 H new ATOM 0 HE2 LYS A 71 14.849 14.562 6.076 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.456 15.039 7.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 16.141 13.273 7.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.712 12.712 8.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 15.094 12.250 6.837 1.00 0.00 H new ATOM 1169 N ASP A 72 8.298 16.563 6.439 1.00 0.00 N ATOM 1170 CA ASP A 72 7.959 17.854 5.764 1.00 0.00 C ATOM 1171 C ASP A 72 6.723 18.500 6.399 1.00 0.00 C ATOM 1172 O ASP A 72 6.538 19.700 6.317 1.00 0.00 O ATOM 1173 CB ASP A 72 7.676 17.476 4.311 1.00 0.00 C ATOM 1174 CG ASP A 72 7.767 18.724 3.430 1.00 0.00 C ATOM 1175 OD1 ASP A 72 6.827 19.500 3.437 1.00 0.00 O ATOM 1176 OD2 ASP A 72 8.777 18.881 2.764 1.00 0.00 O ATOM 0 H ASP A 72 7.693 15.778 6.201 1.00 0.00 H new ATOM 0 HA ASP A 72 8.766 18.581 5.854 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.392 16.727 3.973 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.685 17.030 4.227 1.00 0.00 H new ATOM 1181 N ILE A 73 5.874 17.719 7.021 1.00 0.00 N ATOM 1182 CA ILE A 73 4.646 18.300 7.649 1.00 0.00 C ATOM 1183 C ILE A 73 5.022 19.162 8.865 1.00 0.00 C ATOM 1184 O ILE A 73 4.348 20.123 9.185 1.00 0.00 O ATOM 1185 CB ILE A 73 3.779 17.090 8.050 1.00 0.00 C ATOM 1186 CG1 ILE A 73 2.368 17.574 8.388 1.00 0.00 C ATOM 1187 CG2 ILE A 73 4.376 16.362 9.263 1.00 0.00 C ATOM 1188 CD1 ILE A 73 1.525 17.617 7.112 1.00 0.00 C ATOM 0 H ILE A 73 5.977 16.709 7.121 1.00 0.00 H new ATOM 0 HA ILE A 73 4.105 18.959 6.970 1.00 0.00 H new ATOM 0 HB ILE A 73 3.747 16.392 7.214 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.908 16.908 9.118 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.410 18.564 8.842 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.745 15.513 9.525 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.377 16.008 9.018 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.430 17.048 10.108 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.519 17.962 7.352 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.982 18.301 6.397 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.472 16.619 6.677 1.00 0.00 H new