USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=18 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 -63:sc= 0.133 USER MOD Single : A 20 CYS SG : rot 180:sc= -1.85! USER MOD Single : A 21 SER OG : rot -100:sc= 1.15 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+ -122:sc= 0 (180deg=-0.186) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= 0.0321 K(o=0.032,f=-3.5!) USER MOD Single : A 35 SER OG : rot 180:sc= -0.147 USER MOD Single : A 39 THR OG1 : rot 69:sc= -1.1 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= -0.021 K(o=-0.021,f=-2.1!) USER MOD Single : A 51 SER OG : rot 180:sc= 0.307 USER MOD Single : A 53 LYS NZ :NH3+ -113:sc= 0 (180deg=-0.104) USER MOD Single : A 55 LYS NZ :NH3+ 146:sc= 0 (180deg=-0.019) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0.041) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -2.21 K(o=-2.2,f=-3!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -137:sc=-0.00904 (180deg=-0.192) USER MOD Single : A 66 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.0362) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.131) USER MOD ----------------------------------------------------------------- ATOM 136 N PRO A 9 2.677 16.870 1.368 1.00 0.00 N ATOM 137 CA PRO A 9 2.561 15.437 1.730 1.00 0.00 C ATOM 138 C PRO A 9 1.166 15.138 2.287 1.00 0.00 C ATOM 139 O PRO A 9 0.879 15.403 3.439 1.00 0.00 O ATOM 140 CB PRO A 9 3.631 15.244 2.800 1.00 0.00 C ATOM 141 CG PRO A 9 3.835 16.598 3.398 1.00 0.00 C ATOM 142 CD PRO A 9 3.519 17.609 2.324 1.00 0.00 C ATOM 0 HA PRO A 9 2.697 14.769 0.880 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.309 14.525 3.553 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.555 14.861 2.368 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.186 16.739 4.263 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.861 16.714 3.747 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.994 18.473 2.732 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.426 17.983 1.849 1.00 0.00 H new ATOM 150 N LYS A 10 0.297 14.594 1.470 1.00 0.00 N ATOM 151 CA LYS A 10 -1.087 14.279 1.938 1.00 0.00 C ATOM 152 C LYS A 10 -1.042 13.292 3.111 1.00 0.00 C ATOM 153 O LYS A 10 -0.013 13.098 3.729 1.00 0.00 O ATOM 154 CB LYS A 10 -1.794 13.654 0.726 1.00 0.00 C ATOM 155 CG LYS A 10 -1.054 12.383 0.277 1.00 0.00 C ATOM 156 CD LYS A 10 -0.669 12.496 -1.202 1.00 0.00 C ATOM 157 CE LYS A 10 0.040 11.214 -1.644 1.00 0.00 C ATOM 158 NZ LYS A 10 0.428 11.460 -3.062 1.00 0.00 N ATOM 0 H LYS A 10 0.488 14.354 0.497 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.610 15.166 2.294 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.825 13.412 0.982 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.829 14.372 -0.094 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.160 12.239 0.884 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.688 11.510 0.431 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.559 12.660 -1.809 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.017 13.356 -1.354 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.914 11.012 -1.025 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.618 10.349 -1.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.920 10.624 -3.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.425 11.643 -3.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.059 12.285 -3.111 1.00 0.00 H new ATOM 172 N ARG A 11 -2.152 12.670 3.417 1.00 0.00 N ATOM 173 CA ARG A 11 -2.183 11.694 4.550 1.00 0.00 C ATOM 174 C ARG A 11 -1.275 10.493 4.242 1.00 0.00 C ATOM 175 O ARG A 11 -1.237 10.033 3.117 1.00 0.00 O ATOM 176 CB ARG A 11 -3.642 11.241 4.652 1.00 0.00 C ATOM 177 CG ARG A 11 -4.343 12.006 5.777 1.00 0.00 C ATOM 178 CD ARG A 11 -4.663 13.426 5.305 1.00 0.00 C ATOM 179 NE ARG A 11 -5.068 14.158 6.537 1.00 0.00 N ATOM 180 CZ ARG A 11 -6.317 14.160 6.913 1.00 0.00 C ATOM 181 NH1 ARG A 11 -7.182 14.919 6.298 1.00 0.00 N ATOM 182 NH2 ARG A 11 -6.701 13.404 7.904 1.00 0.00 N ATOM 0 H ARG A 11 -3.040 12.796 2.931 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.827 12.137 5.480 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.154 11.416 3.706 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.687 10.169 4.845 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.260 11.492 6.065 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.706 12.040 6.661 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.796 13.891 4.836 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.463 13.425 4.565 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.369 14.658 7.087 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.881 15.511 5.523 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.159 14.921 6.592 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.025 12.811 8.385 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.678 13.406 8.198 1.00 0.00 H new ATOM 196 N PRO A 12 -0.574 10.006 5.246 1.00 0.00 N ATOM 197 CA PRO A 12 0.319 8.842 5.034 1.00 0.00 C ATOM 198 C PRO A 12 -0.517 7.554 4.930 1.00 0.00 C ATOM 199 O PRO A 12 -1.387 7.329 5.748 1.00 0.00 O ATOM 200 CB PRO A 12 1.191 8.820 6.284 1.00 0.00 C ATOM 201 CG PRO A 12 0.385 9.508 7.339 1.00 0.00 C ATOM 202 CD PRO A 12 -0.538 10.475 6.642 1.00 0.00 C ATOM 0 HA PRO A 12 0.906 8.910 4.118 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.433 7.798 6.577 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.137 9.335 6.113 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.186 8.783 7.920 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.036 10.034 8.037 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.532 10.468 7.089 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.166 11.497 6.708 1.00 0.00 H new ATOM 210 N PRO A 13 -0.243 6.746 3.927 1.00 0.00 N ATOM 211 CA PRO A 13 -1.008 5.492 3.753 1.00 0.00 C ATOM 212 C PRO A 13 -0.461 4.402 4.678 1.00 0.00 C ATOM 213 O PRO A 13 0.365 4.661 5.532 1.00 0.00 O ATOM 214 CB PRO A 13 -0.779 5.131 2.290 1.00 0.00 C ATOM 215 CG PRO A 13 0.519 5.780 1.912 1.00 0.00 C ATOM 216 CD PRO A 13 0.777 6.911 2.880 1.00 0.00 C ATOM 0 HA PRO A 13 -2.065 5.596 3.998 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.730 4.050 2.156 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.595 5.493 1.665 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.332 5.055 1.948 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.473 6.156 0.890 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.783 6.855 3.295 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.688 7.880 2.389 1.00 0.00 H new ATOM 224 N SER A 14 -0.918 3.186 4.514 1.00 0.00 N ATOM 225 CA SER A 14 -0.428 2.074 5.384 1.00 0.00 C ATOM 226 C SER A 14 -0.832 0.716 4.801 1.00 0.00 C ATOM 227 O SER A 14 -1.584 -0.030 5.399 1.00 0.00 O ATOM 228 CB SER A 14 -1.106 2.306 6.735 1.00 0.00 C ATOM 229 OG SER A 14 -0.623 1.353 7.672 1.00 0.00 O ATOM 0 H SER A 14 -1.610 2.915 3.815 1.00 0.00 H new ATOM 0 HA SER A 14 0.659 2.064 5.467 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.902 3.317 7.089 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.187 2.217 6.632 1.00 0.00 H new ATOM 0 HG SER A 14 -0.867 0.451 7.377 1.00 0.00 H new ATOM 235 N ALA A 15 -0.343 0.390 3.625 1.00 0.00 N ATOM 236 CA ALA A 15 -0.688 -0.917 2.968 1.00 0.00 C ATOM 237 C ALA A 15 -2.175 -0.957 2.613 1.00 0.00 C ATOM 238 O ALA A 15 -2.541 -0.763 1.469 1.00 0.00 O ATOM 239 CB ALA A 15 -0.323 -2.031 3.965 1.00 0.00 C ATOM 0 H ALA A 15 0.289 0.981 3.085 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.136 -1.048 2.037 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.558 -3.002 3.528 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.742 -1.983 4.191 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.895 -1.899 4.884 1.00 0.00 H new ATOM 245 N PHE A 16 -3.038 -1.221 3.569 1.00 0.00 N ATOM 246 CA PHE A 16 -4.514 -1.287 3.279 1.00 0.00 C ATOM 247 C PHE A 16 -4.976 -0.082 2.451 1.00 0.00 C ATOM 248 O PHE A 16 -5.652 -0.229 1.451 1.00 0.00 O ATOM 249 CB PHE A 16 -5.181 -1.261 4.655 1.00 0.00 C ATOM 250 CG PHE A 16 -6.570 -1.848 4.560 1.00 0.00 C ATOM 251 CD1 PHE A 16 -7.553 -1.203 3.799 1.00 0.00 C ATOM 252 CD2 PHE A 16 -6.875 -3.035 5.235 1.00 0.00 C ATOM 253 CE1 PHE A 16 -8.840 -1.746 3.714 1.00 0.00 C ATOM 254 CE2 PHE A 16 -8.162 -3.578 5.150 1.00 0.00 C ATOM 255 CZ PHE A 16 -9.145 -2.933 4.389 1.00 0.00 C ATOM 0 H PHE A 16 -2.785 -1.395 4.542 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.769 -2.175 2.700 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.584 -1.828 5.370 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.233 -0.237 5.025 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.318 -0.287 3.278 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.117 -3.532 5.822 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.598 -1.249 3.127 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -8.397 -4.494 5.671 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.138 -3.352 4.323 1.00 0.00 H new ATOM 265 N PHE A 17 -4.609 1.105 2.864 1.00 0.00 N ATOM 266 CA PHE A 17 -5.020 2.327 2.105 1.00 0.00 C ATOM 267 C PHE A 17 -4.520 2.241 0.659 1.00 0.00 C ATOM 268 O PHE A 17 -5.129 2.776 -0.248 1.00 0.00 O ATOM 269 CB PHE A 17 -4.354 3.500 2.838 1.00 0.00 C ATOM 270 CG PHE A 17 -5.345 4.630 2.995 1.00 0.00 C ATOM 271 CD1 PHE A 17 -6.245 4.628 4.067 1.00 0.00 C ATOM 272 CD2 PHE A 17 -5.362 5.681 2.070 1.00 0.00 C ATOM 273 CE1 PHE A 17 -7.162 5.675 4.214 1.00 0.00 C ATOM 274 CE2 PHE A 17 -6.280 6.728 2.218 1.00 0.00 C ATOM 275 CZ PHE A 17 -7.179 6.725 3.289 1.00 0.00 C ATOM 0 H PHE A 17 -4.043 1.281 3.694 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.103 2.441 2.062 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.999 3.176 3.816 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.482 3.842 2.280 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.232 3.818 4.781 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.668 5.684 1.243 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.856 5.673 5.041 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.294 7.539 1.504 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.887 7.533 3.402 1.00 0.00 H new ATOM 285 N LEU A 18 -3.411 1.578 0.441 1.00 0.00 N ATOM 286 CA LEU A 18 -2.860 1.461 -0.945 1.00 0.00 C ATOM 287 C LEU A 18 -3.615 0.387 -1.733 1.00 0.00 C ATOM 288 O LEU A 18 -3.759 0.480 -2.937 1.00 0.00 O ATOM 289 CB LEU A 18 -1.387 1.042 -0.781 1.00 0.00 C ATOM 290 CG LEU A 18 -0.651 1.958 0.212 1.00 0.00 C ATOM 291 CD1 LEU A 18 0.825 1.564 0.261 1.00 0.00 C ATOM 292 CD2 LEU A 18 -0.765 3.421 -0.235 1.00 0.00 C ATOM 0 H LEU A 18 -2.863 1.112 1.164 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.960 2.400 -1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.337 0.010 -0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.887 1.076 -1.749 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.101 1.848 1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.351 2.210 0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.914 0.527 0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.264 1.673 -0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.241 4.060 0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.320 3.535 -1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.816 3.708 -0.275 1.00 0.00 H new ATOM 304 N PHE A 19 -4.086 -0.636 -1.064 1.00 0.00 N ATOM 305 CA PHE A 19 -4.821 -1.729 -1.773 1.00 0.00 C ATOM 306 C PHE A 19 -6.263 -1.309 -2.065 1.00 0.00 C ATOM 307 O PHE A 19 -6.711 -1.348 -3.197 1.00 0.00 O ATOM 308 CB PHE A 19 -4.795 -2.916 -0.807 1.00 0.00 C ATOM 309 CG PHE A 19 -5.329 -4.146 -1.501 1.00 0.00 C ATOM 310 CD1 PHE A 19 -4.485 -4.918 -2.308 1.00 0.00 C ATOM 311 CD2 PHE A 19 -6.670 -4.515 -1.337 1.00 0.00 C ATOM 312 CE1 PHE A 19 -4.981 -6.059 -2.949 1.00 0.00 C ATOM 313 CE2 PHE A 19 -7.167 -5.656 -1.979 1.00 0.00 C ATOM 314 CZ PHE A 19 -6.322 -6.428 -2.784 1.00 0.00 C ATOM 0 H PHE A 19 -3.993 -0.762 -0.056 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.365 -1.970 -2.733 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.777 -3.094 -0.462 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.396 -2.694 0.075 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.451 -4.633 -2.436 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.321 -3.919 -0.715 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.330 -6.655 -3.571 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -8.201 -5.940 -1.853 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.704 -7.309 -3.278 1.00 0.00 H new ATOM 324 N CYS A 20 -6.996 -0.913 -1.054 1.00 0.00 N ATOM 325 CA CYS A 20 -8.419 -0.494 -1.268 1.00 0.00 C ATOM 326 C CYS A 20 -8.498 0.638 -2.296 1.00 0.00 C ATOM 327 O CYS A 20 -9.202 0.543 -3.283 1.00 0.00 O ATOM 328 CB CYS A 20 -8.906 -0.006 0.099 1.00 0.00 C ATOM 329 SG CYS A 20 -10.714 -0.055 0.147 1.00 0.00 S ATOM 0 H CYS A 20 -6.672 -0.861 -0.088 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.029 -1.312 -1.651 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.493 -0.633 0.889 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.554 1.009 0.281 1.00 0.00 H new ATOM 0 HG CYS A 20 -11.129 0.357 1.308 1.00 0.00 H new ATOM 335 N SER A 21 -7.777 1.707 -2.072 1.00 0.00 N ATOM 336 CA SER A 21 -7.802 2.857 -3.033 1.00 0.00 C ATOM 337 C SER A 21 -7.431 2.397 -4.450 1.00 0.00 C ATOM 338 O SER A 21 -7.753 3.054 -5.423 1.00 0.00 O ATOM 339 CB SER A 21 -6.758 3.843 -2.506 1.00 0.00 C ATOM 340 OG SER A 21 -5.462 3.283 -2.664 1.00 0.00 O ATOM 0 H SER A 21 -7.169 1.836 -1.263 1.00 0.00 H new ATOM 0 HA SER A 21 -8.795 3.303 -3.099 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.827 4.787 -3.046 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.946 4.063 -1.455 1.00 0.00 H new ATOM 0 HG SER A 21 -5.159 2.914 -1.808 1.00 0.00 H new ATOM 346 N GLU A 22 -6.754 1.281 -4.573 1.00 0.00 N ATOM 347 CA GLU A 22 -6.359 0.787 -5.927 1.00 0.00 C ATOM 348 C GLU A 22 -7.294 -0.334 -6.392 1.00 0.00 C ATOM 349 O GLU A 22 -7.440 -0.572 -7.576 1.00 0.00 O ATOM 350 CB GLU A 22 -4.940 0.257 -5.754 1.00 0.00 C ATOM 351 CG GLU A 22 -3.939 1.402 -5.910 1.00 0.00 C ATOM 352 CD GLU A 22 -3.974 1.919 -7.350 1.00 0.00 C ATOM 353 OE1 GLU A 22 -3.634 1.158 -8.240 1.00 0.00 O ATOM 354 OE2 GLU A 22 -4.340 3.069 -7.537 1.00 0.00 O ATOM 0 H GLU A 22 -6.459 0.692 -3.794 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.418 1.574 -6.679 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.831 -0.203 -4.772 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.738 -0.518 -6.493 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.181 2.208 -5.217 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.935 1.058 -5.660 1.00 0.00 H new ATOM 361 N TYR A 23 -7.915 -1.032 -5.473 1.00 0.00 N ATOM 362 CA TYR A 23 -8.828 -2.149 -5.866 1.00 0.00 C ATOM 363 C TYR A 23 -10.291 -1.684 -5.927 1.00 0.00 C ATOM 364 O TYR A 23 -11.192 -2.494 -6.025 1.00 0.00 O ATOM 365 CB TYR A 23 -8.650 -3.203 -4.774 1.00 0.00 C ATOM 366 CG TYR A 23 -7.544 -4.154 -5.168 1.00 0.00 C ATOM 367 CD1 TYR A 23 -6.218 -3.707 -5.207 1.00 0.00 C ATOM 368 CD2 TYR A 23 -7.846 -5.481 -5.495 1.00 0.00 C ATOM 369 CE1 TYR A 23 -5.193 -4.588 -5.573 1.00 0.00 C ATOM 370 CE2 TYR A 23 -6.820 -6.362 -5.861 1.00 0.00 C ATOM 371 CZ TYR A 23 -5.494 -5.915 -5.900 1.00 0.00 C ATOM 372 OH TYR A 23 -4.484 -6.784 -6.261 1.00 0.00 O ATOM 0 H TYR A 23 -7.829 -0.876 -4.469 1.00 0.00 H new ATOM 0 HA TYR A 23 -8.590 -2.530 -6.859 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.410 -2.723 -3.825 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -9.581 -3.751 -4.628 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -5.986 -2.683 -4.955 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.869 -5.826 -5.465 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.170 -4.243 -5.603 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.052 -7.386 -6.113 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.865 -7.666 -6.455 1.00 0.00 H new ATOM 382 N ARG A 24 -10.538 -0.395 -5.878 1.00 0.00 N ATOM 383 CA ARG A 24 -11.938 0.105 -5.944 1.00 0.00 C ATOM 384 C ARG A 24 -12.419 0.305 -7.395 1.00 0.00 C ATOM 385 O ARG A 24 -13.522 -0.090 -7.701 1.00 0.00 O ATOM 386 CB ARG A 24 -11.934 1.436 -5.205 1.00 0.00 C ATOM 387 CG ARG A 24 -12.020 1.188 -3.697 1.00 0.00 C ATOM 388 CD ARG A 24 -11.507 2.419 -2.945 1.00 0.00 C ATOM 389 NE ARG A 24 -12.344 2.493 -1.716 1.00 0.00 N ATOM 390 CZ ARG A 24 -13.037 3.570 -1.463 1.00 0.00 C ATOM 391 NH1 ARG A 24 -12.435 4.653 -1.054 1.00 0.00 N ATOM 392 NH2 ARG A 24 -14.333 3.563 -1.619 1.00 0.00 N ATOM 0 H ARG A 24 -9.824 0.329 -5.795 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.621 -0.618 -5.499 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.026 1.991 -5.441 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.775 2.047 -5.532 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -13.051 0.978 -3.411 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.429 0.312 -3.428 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.450 2.319 -2.698 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.609 3.321 -3.548 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.376 1.703 -1.072 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.422 4.658 -0.932 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.977 5.494 -0.857 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.804 2.716 -1.938 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.875 4.404 -1.421 1.00 0.00 H new ATOM 406 N PRO A 25 -11.605 0.912 -8.254 1.00 0.00 N ATOM 407 CA PRO A 25 -12.046 1.137 -9.659 1.00 0.00 C ATOM 408 C PRO A 25 -12.194 -0.199 -10.394 1.00 0.00 C ATOM 409 O PRO A 25 -12.851 -0.281 -11.415 1.00 0.00 O ATOM 410 CB PRO A 25 -10.947 2.009 -10.260 1.00 0.00 C ATOM 411 CG PRO A 25 -9.745 1.747 -9.423 1.00 0.00 C ATOM 412 CD PRO A 25 -10.236 1.417 -8.037 1.00 0.00 C ATOM 0 HA PRO A 25 -13.022 1.617 -9.733 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.765 1.751 -11.303 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.222 3.063 -10.236 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.163 0.922 -9.832 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.092 2.619 -9.403 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.606 0.668 -7.558 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.232 2.296 -7.392 1.00 0.00 H new ATOM 420 N LYS A 26 -11.618 -1.250 -9.863 1.00 0.00 N ATOM 421 CA LYS A 26 -11.759 -2.588 -10.506 1.00 0.00 C ATOM 422 C LYS A 26 -13.187 -3.080 -10.296 1.00 0.00 C ATOM 423 O LYS A 26 -13.856 -3.513 -11.215 1.00 0.00 O ATOM 424 CB LYS A 26 -10.783 -3.492 -9.759 1.00 0.00 C ATOM 425 CG LYS A 26 -10.653 -4.828 -10.492 1.00 0.00 C ATOM 426 CD LYS A 26 -11.809 -5.746 -10.089 1.00 0.00 C ATOM 427 CE LYS A 26 -11.419 -7.202 -10.349 1.00 0.00 C ATOM 428 NZ LYS A 26 -12.581 -8.002 -9.871 1.00 0.00 N ATOM 0 H LYS A 26 -11.057 -1.236 -9.012 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.555 -2.570 -11.576 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.808 -3.010 -9.687 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.133 -3.658 -8.740 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.662 -4.666 -11.570 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.700 -5.297 -10.248 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.049 -5.605 -9.035 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.704 -5.491 -10.656 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.228 -7.377 -11.408 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.508 -7.469 -9.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.389 -9.014 -10.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.735 -7.820 -8.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.432 -7.731 -10.404 1.00 0.00 H new ATOM 442 N ILE A 27 -13.654 -3.007 -9.074 1.00 0.00 N ATOM 443 CA ILE A 27 -15.044 -3.457 -8.756 1.00 0.00 C ATOM 444 C ILE A 27 -16.054 -2.707 -9.619 1.00 0.00 C ATOM 445 O ILE A 27 -17.101 -3.219 -9.955 1.00 0.00 O ATOM 446 CB ILE A 27 -15.288 -3.062 -7.285 1.00 0.00 C ATOM 447 CG1 ILE A 27 -14.196 -3.609 -6.344 1.00 0.00 C ATOM 448 CG2 ILE A 27 -16.648 -3.598 -6.837 1.00 0.00 C ATOM 449 CD1 ILE A 27 -13.967 -5.100 -6.584 1.00 0.00 C ATOM 0 H ILE A 27 -13.127 -2.652 -8.277 1.00 0.00 H new ATOM 0 HA ILE A 27 -15.156 -4.526 -8.935 1.00 0.00 H new ATOM 0 HB ILE A 27 -15.262 -1.974 -7.228 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -13.266 -3.064 -6.504 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.488 -3.444 -5.307 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -16.824 -3.321 -5.798 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -17.431 -3.172 -7.464 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.660 -4.684 -6.930 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -13.192 -5.463 -5.908 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -14.893 -5.645 -6.400 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.652 -5.258 -7.615 1.00 0.00 H new ATOM 461 N LYS A 28 -15.759 -1.477 -9.924 1.00 0.00 N ATOM 462 CA LYS A 28 -16.722 -0.644 -10.712 1.00 0.00 C ATOM 463 C LYS A 28 -16.765 -1.115 -12.169 1.00 0.00 C ATOM 464 O LYS A 28 -17.811 -1.134 -12.789 1.00 0.00 O ATOM 465 CB LYS A 28 -16.253 0.836 -10.646 1.00 0.00 C ATOM 466 CG LYS A 28 -15.519 1.208 -9.336 1.00 0.00 C ATOM 467 CD LYS A 28 -16.243 0.695 -8.082 1.00 0.00 C ATOM 468 CE LYS A 28 -17.677 1.230 -8.048 1.00 0.00 C ATOM 469 NZ LYS A 28 -17.546 2.650 -7.617 1.00 0.00 N ATOM 0 H LYS A 28 -14.892 -1.006 -9.664 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.724 -0.741 -10.294 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.592 1.034 -11.489 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.120 1.486 -10.761 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.510 0.797 -9.361 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.420 2.292 -9.275 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.253 -0.395 -8.078 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.707 1.012 -7.188 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.149 1.156 -9.028 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.294 0.661 -7.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.100 2.802 -6.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.546 2.865 -7.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.901 3.275 -8.369 1.00 0.00 H new ATOM 483 N SER A 29 -15.637 -1.486 -12.722 1.00 0.00 N ATOM 484 CA SER A 29 -15.609 -1.950 -14.147 1.00 0.00 C ATOM 485 C SER A 29 -16.548 -3.146 -14.346 1.00 0.00 C ATOM 486 O SER A 29 -17.039 -3.384 -15.434 1.00 0.00 O ATOM 487 CB SER A 29 -14.160 -2.361 -14.409 1.00 0.00 C ATOM 488 OG SER A 29 -13.974 -2.569 -15.803 1.00 0.00 O ATOM 0 H SER A 29 -14.733 -1.488 -12.249 1.00 0.00 H new ATOM 0 HA SER A 29 -15.943 -1.171 -14.832 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.480 -1.587 -14.051 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.923 -3.272 -13.859 1.00 0.00 H new ATOM 0 HG SER A 29 -13.045 -2.831 -15.974 1.00 0.00 H new ATOM 494 N GLU A 30 -16.793 -3.899 -13.306 1.00 0.00 N ATOM 495 CA GLU A 30 -17.695 -5.086 -13.426 1.00 0.00 C ATOM 496 C GLU A 30 -18.963 -4.892 -12.583 1.00 0.00 C ATOM 497 O GLU A 30 -19.983 -5.503 -12.838 1.00 0.00 O ATOM 498 CB GLU A 30 -16.868 -6.260 -12.892 1.00 0.00 C ATOM 499 CG GLU A 30 -16.380 -7.122 -14.060 1.00 0.00 C ATOM 500 CD GLU A 30 -17.505 -8.053 -14.514 1.00 0.00 C ATOM 501 OE1 GLU A 30 -18.482 -7.553 -15.046 1.00 0.00 O ATOM 502 OE2 GLU A 30 -17.370 -9.251 -14.323 1.00 0.00 O ATOM 0 H GLU A 30 -16.407 -3.744 -12.375 1.00 0.00 H new ATOM 0 HA GLU A 30 -18.027 -5.247 -14.452 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -16.017 -5.888 -12.322 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -17.470 -6.861 -12.211 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.064 -6.486 -14.887 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.511 -7.706 -13.756 1.00 0.00 H new ATOM 509 N HIS A 31 -18.906 -4.046 -11.585 1.00 0.00 N ATOM 510 CA HIS A 31 -20.109 -3.811 -10.727 1.00 0.00 C ATOM 511 C HIS A 31 -20.481 -2.321 -10.756 1.00 0.00 C ATOM 512 O HIS A 31 -19.925 -1.538 -10.011 1.00 0.00 O ATOM 513 CB HIS A 31 -19.718 -4.233 -9.302 1.00 0.00 C ATOM 514 CG HIS A 31 -19.084 -5.601 -9.306 1.00 0.00 C ATOM 515 ND1 HIS A 31 -17.708 -5.775 -9.310 1.00 0.00 N ATOM 516 CD2 HIS A 31 -19.620 -6.865 -9.309 1.00 0.00 C ATOM 517 CE1 HIS A 31 -17.466 -7.096 -9.314 1.00 0.00 C ATOM 518 NE2 HIS A 31 -18.597 -7.808 -9.314 1.00 0.00 N ATOM 0 H HIS A 31 -18.079 -3.508 -11.327 1.00 0.00 H new ATOM 0 HA HIS A 31 -20.970 -4.379 -11.080 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -19.024 -3.506 -8.880 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -20.601 -4.238 -8.664 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -17.007 -5.034 -9.310 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -20.676 -7.093 -9.308 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -16.477 -7.530 -9.317 1.00 0.00 H new ATOM 526 N PRO A 32 -21.409 -1.966 -11.619 1.00 0.00 N ATOM 527 CA PRO A 32 -21.831 -0.549 -11.723 1.00 0.00 C ATOM 528 C PRO A 32 -22.721 -0.172 -10.541 1.00 0.00 C ATOM 529 O PRO A 32 -22.666 0.932 -10.035 1.00 0.00 O ATOM 530 CB PRO A 32 -22.611 -0.499 -13.031 1.00 0.00 C ATOM 531 CG PRO A 32 -23.098 -1.896 -13.259 1.00 0.00 C ATOM 532 CD PRO A 32 -22.144 -2.828 -12.559 1.00 0.00 C ATOM 0 HA PRO A 32 -20.994 0.150 -11.708 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -23.444 0.201 -12.965 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -21.978 -0.165 -13.853 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -24.109 -2.018 -12.869 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -23.139 -2.119 -14.325 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -22.677 -3.622 -12.036 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -21.469 -3.310 -13.266 1.00 0.00 H new ATOM 540 N GLY A 33 -23.540 -1.089 -10.099 1.00 0.00 N ATOM 541 CA GLY A 33 -24.442 -0.804 -8.947 1.00 0.00 C ATOM 542 C GLY A 33 -23.646 -0.821 -7.633 1.00 0.00 C ATOM 543 O GLY A 33 -24.105 -0.319 -6.628 1.00 0.00 O ATOM 0 H GLY A 33 -23.623 -2.028 -10.489 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -24.918 0.168 -9.080 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -25.239 -1.546 -8.907 1.00 0.00 H new ATOM 547 N LEU A 34 -22.469 -1.406 -7.634 1.00 0.00 N ATOM 548 CA LEU A 34 -21.641 -1.470 -6.380 1.00 0.00 C ATOM 549 C LEU A 34 -21.399 -0.067 -5.802 1.00 0.00 C ATOM 550 O LEU A 34 -20.406 0.571 -6.096 1.00 0.00 O ATOM 551 CB LEU A 34 -20.307 -2.111 -6.815 1.00 0.00 C ATOM 552 CG LEU A 34 -20.078 -3.447 -6.086 1.00 0.00 C ATOM 553 CD1 LEU A 34 -19.876 -3.189 -4.592 1.00 0.00 C ATOM 554 CD2 LEU A 34 -21.282 -4.381 -6.291 1.00 0.00 C ATOM 0 H LEU A 34 -22.044 -1.844 -8.451 1.00 0.00 H new ATOM 0 HA LEU A 34 -22.140 -2.041 -5.597 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -20.312 -2.276 -7.892 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.484 -1.429 -6.601 1.00 0.00 H new ATOM 0 HG LEU A 34 -19.189 -3.924 -6.497 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -19.714 -4.136 -4.078 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -19.008 -2.545 -4.448 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -20.761 -2.701 -4.184 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -21.106 -5.322 -5.770 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -22.181 -3.909 -5.894 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -21.415 -4.575 -7.355 1.00 0.00 H new ATOM 566 N SER A 35 -22.304 0.411 -4.988 1.00 0.00 N ATOM 567 CA SER A 35 -22.142 1.771 -4.386 1.00 0.00 C ATOM 568 C SER A 35 -21.042 1.745 -3.321 1.00 0.00 C ATOM 569 O SER A 35 -20.547 0.695 -2.959 1.00 0.00 O ATOM 570 CB SER A 35 -23.495 2.095 -3.753 1.00 0.00 C ATOM 571 OG SER A 35 -23.414 3.349 -3.089 1.00 0.00 O ATOM 0 H SER A 35 -23.153 -0.083 -4.712 1.00 0.00 H new ATOM 0 HA SER A 35 -21.854 2.518 -5.126 1.00 0.00 H new ATOM 0 HB2 SER A 35 -24.270 2.125 -4.519 1.00 0.00 H new ATOM 0 HB3 SER A 35 -23.775 1.314 -3.047 1.00 0.00 H new ATOM 0 HG SER A 35 -24.281 3.561 -2.683 1.00 0.00 H new ATOM 577 N ILE A 36 -20.657 2.893 -2.815 1.00 0.00 N ATOM 578 CA ILE A 36 -19.585 2.935 -1.766 1.00 0.00 C ATOM 579 C ILE A 36 -19.974 2.048 -0.579 1.00 0.00 C ATOM 580 O ILE A 36 -19.126 1.506 0.106 1.00 0.00 O ATOM 581 CB ILE A 36 -19.487 4.408 -1.335 1.00 0.00 C ATOM 582 CG1 ILE A 36 -19.032 5.272 -2.524 1.00 0.00 C ATOM 583 CG2 ILE A 36 -18.482 4.547 -0.183 1.00 0.00 C ATOM 584 CD1 ILE A 36 -17.657 4.809 -3.026 1.00 0.00 C ATOM 0 H ILE A 36 -21.037 3.801 -3.082 1.00 0.00 H new ATOM 0 HA ILE A 36 -18.631 2.565 -2.141 1.00 0.00 H new ATOM 0 HB ILE A 36 -20.468 4.746 -1.000 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -19.762 5.206 -3.331 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -18.983 6.319 -2.224 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -18.416 5.592 0.118 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -18.813 3.945 0.663 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -17.502 4.202 -0.512 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -17.349 5.430 -3.867 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.927 4.899 -2.222 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -17.718 3.769 -3.346 1.00 0.00 H new ATOM 596 N GLY A 37 -21.251 1.892 -0.337 1.00 0.00 N ATOM 597 CA GLY A 37 -21.703 1.035 0.799 1.00 0.00 C ATOM 598 C GLY A 37 -21.188 -0.388 0.590 1.00 0.00 C ATOM 599 O GLY A 37 -20.385 -0.884 1.355 1.00 0.00 O ATOM 0 H GLY A 37 -22.001 2.322 -0.879 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -21.331 1.435 1.742 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -22.791 1.035 0.860 1.00 0.00 H new ATOM 603 N ASP A 38 -21.635 -1.041 -0.450 1.00 0.00 N ATOM 604 CA ASP A 38 -21.169 -2.433 -0.722 1.00 0.00 C ATOM 605 C ASP A 38 -19.718 -2.425 -1.213 1.00 0.00 C ATOM 606 O ASP A 38 -18.956 -3.319 -0.915 1.00 0.00 O ATOM 607 CB ASP A 38 -22.100 -2.964 -1.814 1.00 0.00 C ATOM 608 CG ASP A 38 -22.091 -4.493 -1.794 1.00 0.00 C ATOM 609 OD1 ASP A 38 -22.201 -5.053 -0.716 1.00 0.00 O ATOM 610 OD2 ASP A 38 -21.975 -5.080 -2.858 1.00 0.00 O ATOM 0 H ASP A 38 -22.304 -0.670 -1.124 1.00 0.00 H new ATOM 0 HA ASP A 38 -21.197 -3.054 0.174 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -23.113 -2.594 -1.655 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -21.778 -2.601 -2.790 1.00 0.00 H new ATOM 615 N THR A 39 -19.328 -1.415 -1.948 1.00 0.00 N ATOM 616 CA THR A 39 -17.919 -1.352 -2.452 1.00 0.00 C ATOM 617 C THR A 39 -16.943 -1.232 -1.277 1.00 0.00 C ATOM 618 O THR A 39 -15.838 -1.738 -1.327 1.00 0.00 O ATOM 619 CB THR A 39 -17.854 -0.106 -3.342 1.00 0.00 C ATOM 620 OG1 THR A 39 -18.774 -0.248 -4.414 1.00 0.00 O ATOM 621 CG2 THR A 39 -16.439 0.055 -3.904 1.00 0.00 C ATOM 0 H THR A 39 -19.921 -0.632 -2.222 1.00 0.00 H new ATOM 0 HA THR A 39 -17.643 -2.250 -3.005 1.00 0.00 H new ATOM 0 HB THR A 39 -18.109 0.774 -2.752 1.00 0.00 H new ATOM 0 HG1 THR A 39 -19.690 -0.213 -4.066 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.397 0.942 -4.536 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.731 0.162 -3.082 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.180 -0.824 -4.494 1.00 0.00 H new ATOM 629 N ALA A 40 -17.346 -0.568 -0.226 1.00 0.00 N ATOM 630 CA ALA A 40 -16.443 -0.415 0.954 1.00 0.00 C ATOM 631 C ALA A 40 -16.316 -1.748 1.694 1.00 0.00 C ATOM 632 O ALA A 40 -15.263 -2.084 2.204 1.00 0.00 O ATOM 633 CB ALA A 40 -17.118 0.631 1.845 1.00 0.00 C ATOM 0 H ALA A 40 -18.260 -0.125 -0.133 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.437 -0.111 0.666 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.511 0.797 2.735 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -17.219 1.567 1.295 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -18.105 0.275 2.140 1.00 0.00 H new ATOM 639 N LYS A 41 -17.384 -2.501 1.767 1.00 0.00 N ATOM 640 CA LYS A 41 -17.333 -3.810 2.489 1.00 0.00 C ATOM 641 C LYS A 41 -17.087 -4.987 1.527 1.00 0.00 C ATOM 642 O LYS A 41 -16.829 -6.094 1.963 1.00 0.00 O ATOM 643 CB LYS A 41 -18.690 -3.947 3.199 1.00 0.00 C ATOM 644 CG LYS A 41 -19.826 -4.084 2.181 1.00 0.00 C ATOM 645 CD LYS A 41 -21.171 -3.906 2.890 1.00 0.00 C ATOM 646 CE LYS A 41 -21.312 -2.463 3.396 1.00 0.00 C ATOM 647 NZ LYS A 41 -21.682 -2.590 4.834 1.00 0.00 N ATOM 0 H LYS A 41 -18.289 -2.267 1.358 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.504 -3.834 3.196 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -18.676 -4.818 3.854 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -18.865 -3.076 3.830 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -19.716 -3.337 1.395 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -19.782 -5.062 1.701 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -21.986 -4.141 2.205 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -21.246 -4.602 3.726 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -20.380 -1.910 3.276 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -22.077 -1.923 2.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -21.796 -1.643 5.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -22.576 -3.114 4.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -20.932 -3.102 5.341 1.00 0.00 H new ATOM 661 N LYS A 42 -17.144 -4.766 0.233 1.00 0.00 N ATOM 662 CA LYS A 42 -16.891 -5.885 -0.732 1.00 0.00 C ATOM 663 C LYS A 42 -15.388 -5.978 -1.059 1.00 0.00 C ATOM 664 O LYS A 42 -14.976 -6.746 -1.907 1.00 0.00 O ATOM 665 CB LYS A 42 -17.704 -5.509 -1.981 1.00 0.00 C ATOM 666 CG LYS A 42 -17.656 -6.634 -3.025 1.00 0.00 C ATOM 667 CD LYS A 42 -18.261 -7.922 -2.441 1.00 0.00 C ATOM 668 CE LYS A 42 -19.453 -8.373 -3.294 1.00 0.00 C ATOM 669 NZ LYS A 42 -18.937 -9.510 -4.107 1.00 0.00 N ATOM 0 H LYS A 42 -17.354 -3.864 -0.194 1.00 0.00 H new ATOM 0 HA LYS A 42 -17.181 -6.857 -0.334 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -18.739 -5.312 -1.701 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -17.310 -4.589 -2.413 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -18.206 -6.336 -3.918 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.625 -6.813 -3.331 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -17.506 -8.708 -2.411 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -18.582 -7.750 -1.414 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -20.291 -8.683 -2.669 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -19.812 -7.564 -3.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -19.697 -9.873 -4.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -18.145 -9.184 -4.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -18.609 -10.268 -3.475 1.00 0.00 H new ATOM 683 N LEU A 43 -14.564 -5.218 -0.376 1.00 0.00 N ATOM 684 CA LEU A 43 -13.095 -5.276 -0.633 1.00 0.00 C ATOM 685 C LEU A 43 -12.404 -6.025 0.508 1.00 0.00 C ATOM 686 O LEU A 43 -11.388 -6.666 0.316 1.00 0.00 O ATOM 687 CB LEU A 43 -12.641 -3.817 -0.675 1.00 0.00 C ATOM 688 CG LEU A 43 -12.879 -3.247 -2.074 1.00 0.00 C ATOM 689 CD1 LEU A 43 -12.832 -1.719 -2.019 1.00 0.00 C ATOM 690 CD2 LEU A 43 -11.792 -3.756 -3.023 1.00 0.00 C ATOM 0 H LEU A 43 -14.849 -4.560 0.349 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.850 -5.799 -1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -13.189 -3.233 0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.584 -3.747 -0.417 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.857 -3.567 -2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.002 -1.314 -3.016 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.606 -1.355 -1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.855 -1.398 -1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.961 -3.350 -4.021 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.815 -3.436 -2.662 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.825 -4.845 -3.064 1.00 0.00 H new ATOM 702 N GLY A 44 -12.954 -5.947 1.695 1.00 0.00 N ATOM 703 CA GLY A 44 -12.342 -6.653 2.859 1.00 0.00 C ATOM 704 C GLY A 44 -12.467 -8.165 2.665 1.00 0.00 C ATOM 705 O GLY A 44 -11.652 -8.929 3.146 1.00 0.00 O ATOM 0 H GLY A 44 -13.803 -5.423 1.907 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.293 -6.374 2.956 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.838 -6.352 3.782 1.00 0.00 H new ATOM 709 N GLU A 45 -13.486 -8.604 1.962 1.00 0.00 N ATOM 710 CA GLU A 45 -13.675 -10.074 1.732 1.00 0.00 C ATOM 711 C GLU A 45 -12.417 -10.687 1.106 1.00 0.00 C ATOM 712 O GLU A 45 -11.965 -11.743 1.509 1.00 0.00 O ATOM 713 CB GLU A 45 -14.855 -10.180 0.763 1.00 0.00 C ATOM 714 CG GLU A 45 -15.363 -11.623 0.731 1.00 0.00 C ATOM 715 CD GLU A 45 -16.290 -11.810 -0.472 1.00 0.00 C ATOM 716 OE1 GLU A 45 -17.302 -11.130 -0.527 1.00 0.00 O ATOM 717 OE2 GLU A 45 -15.973 -12.631 -1.317 1.00 0.00 O ATOM 0 H GLU A 45 -14.196 -8.007 1.537 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.859 -10.610 2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.655 -9.509 1.074 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.548 -9.869 -0.236 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.523 -12.314 0.667 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.896 -11.853 1.654 1.00 0.00 H new ATOM 724 N MET A 46 -11.848 -10.027 0.131 1.00 0.00 N ATOM 725 CA MET A 46 -10.615 -10.559 -0.523 1.00 0.00 C ATOM 726 C MET A 46 -9.384 -10.195 0.311 1.00 0.00 C ATOM 727 O MET A 46 -8.529 -11.021 0.565 1.00 0.00 O ATOM 728 CB MET A 46 -10.561 -9.873 -1.888 1.00 0.00 C ATOM 729 CG MET A 46 -11.695 -10.397 -2.770 1.00 0.00 C ATOM 730 SD MET A 46 -11.678 -9.528 -4.356 1.00 0.00 S ATOM 731 CE MET A 46 -13.035 -8.384 -4.004 1.00 0.00 C ATOM 0 H MET A 46 -12.185 -9.139 -0.242 1.00 0.00 H new ATOM 0 HA MET A 46 -10.630 -11.645 -0.616 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.650 -8.793 -1.768 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.599 -10.063 -2.364 1.00 0.00 H new ATOM 0 HG2 MET A 46 -11.580 -11.469 -2.930 1.00 0.00 H new ATOM 0 HG3 MET A 46 -12.654 -10.250 -2.273 1.00 0.00 H new ATOM 0 HE1 MET A 46 -13.200 -7.739 -4.867 1.00 0.00 H new ATOM 0 HE2 MET A 46 -13.943 -8.950 -3.795 1.00 0.00 H new ATOM 0 HE3 MET A 46 -12.781 -7.773 -3.138 1.00 0.00 H new ATOM 741 N TRP A 47 -9.290 -8.957 0.731 1.00 0.00 N ATOM 742 CA TRP A 47 -8.112 -8.518 1.548 1.00 0.00 C ATOM 743 C TRP A 47 -7.935 -9.411 2.786 1.00 0.00 C ATOM 744 O TRP A 47 -6.857 -9.491 3.344 1.00 0.00 O ATOM 745 CB TRP A 47 -8.430 -7.079 1.968 1.00 0.00 C ATOM 746 CG TRP A 47 -7.269 -6.509 2.721 1.00 0.00 C ATOM 747 CD1 TRP A 47 -7.270 -6.217 4.043 1.00 0.00 C ATOM 748 CD2 TRP A 47 -5.943 -6.160 2.225 1.00 0.00 C ATOM 749 NE1 TRP A 47 -6.030 -5.712 4.389 1.00 0.00 N ATOM 750 CE2 TRP A 47 -5.178 -5.657 3.304 1.00 0.00 C ATOM 751 CE3 TRP A 47 -5.337 -6.230 0.959 1.00 0.00 C ATOM 752 CZ2 TRP A 47 -3.858 -5.239 3.132 1.00 0.00 C ATOM 753 CZ3 TRP A 47 -4.008 -5.810 0.781 1.00 0.00 C ATOM 754 CH2 TRP A 47 -3.271 -5.316 1.867 1.00 0.00 C ATOM 0 H TRP A 47 -9.979 -8.229 0.544 1.00 0.00 H new ATOM 0 HA TRP A 47 -7.183 -8.587 0.982 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.640 -6.471 1.088 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -9.325 -7.060 2.590 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.103 -6.356 4.717 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.776 -5.416 5.331 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.897 -6.609 0.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -3.294 -4.859 3.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.552 -5.868 -0.196 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -2.250 -4.995 1.725 1.00 0.00 H new ATOM 765 N SER A 48 -8.977 -10.080 3.216 1.00 0.00 N ATOM 766 CA SER A 48 -8.860 -10.963 4.415 1.00 0.00 C ATOM 767 C SER A 48 -8.644 -12.416 3.983 1.00 0.00 C ATOM 768 O SER A 48 -7.963 -13.175 4.648 1.00 0.00 O ATOM 769 CB SER A 48 -10.192 -10.814 5.148 1.00 0.00 C ATOM 770 OG SER A 48 -10.087 -11.402 6.438 1.00 0.00 O ATOM 0 H SER A 48 -9.902 -10.052 2.788 1.00 0.00 H new ATOM 0 HA SER A 48 -8.015 -10.691 5.047 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.456 -9.760 5.237 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.988 -11.295 4.580 1.00 0.00 H new ATOM 0 HG SER A 48 -10.940 -11.307 6.911 1.00 0.00 H new ATOM 776 N GLU A 49 -9.219 -12.805 2.874 1.00 0.00 N ATOM 777 CA GLU A 49 -9.051 -14.211 2.390 1.00 0.00 C ATOM 778 C GLU A 49 -7.577 -14.487 2.082 1.00 0.00 C ATOM 779 O GLU A 49 -7.079 -15.574 2.308 1.00 0.00 O ATOM 780 CB GLU A 49 -9.891 -14.305 1.115 1.00 0.00 C ATOM 781 CG GLU A 49 -11.355 -14.553 1.485 1.00 0.00 C ATOM 782 CD GLU A 49 -11.556 -16.035 1.809 1.00 0.00 C ATOM 783 OE1 GLU A 49 -11.814 -16.792 0.889 1.00 0.00 O ATOM 784 OE2 GLU A 49 -11.447 -16.386 2.972 1.00 0.00 O ATOM 0 H GLU A 49 -9.798 -12.210 2.281 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.367 -14.942 3.135 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.801 -13.384 0.539 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.523 -15.113 0.483 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.633 -13.941 2.343 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.004 -14.259 0.660 1.00 0.00 H new ATOM 791 N GLN A 50 -6.878 -13.508 1.566 1.00 0.00 N ATOM 792 CA GLN A 50 -5.431 -13.700 1.235 1.00 0.00 C ATOM 793 C GLN A 50 -4.642 -14.093 2.487 1.00 0.00 C ATOM 794 O GLN A 50 -5.048 -13.817 3.600 1.00 0.00 O ATOM 795 CB GLN A 50 -4.953 -12.344 0.709 1.00 0.00 C ATOM 796 CG GLN A 50 -5.657 -12.032 -0.612 1.00 0.00 C ATOM 797 CD GLN A 50 -4.848 -12.616 -1.772 1.00 0.00 C ATOM 798 OE1 GLN A 50 -4.624 -13.809 -1.830 1.00 0.00 O ATOM 799 NE2 GLN A 50 -4.398 -11.822 -2.704 1.00 0.00 N ATOM 0 H GLN A 50 -7.248 -12.580 1.359 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.285 -14.496 0.505 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.165 -11.563 1.440 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.873 -12.359 0.563 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.663 -12.452 -0.608 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.762 -10.954 -0.734 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.586 -10.821 -2.655 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.858 -12.203 -3.481 1.00 0.00 H new ATOM 808 N SER A 51 -3.515 -14.729 2.306 1.00 0.00 N ATOM 809 CA SER A 51 -2.680 -15.141 3.473 1.00 0.00 C ATOM 810 C SER A 51 -1.750 -13.985 3.867 1.00 0.00 C ATOM 811 O SER A 51 -2.096 -12.830 3.705 1.00 0.00 O ATOM 812 CB SER A 51 -1.886 -16.349 2.973 1.00 0.00 C ATOM 813 OG SER A 51 -1.243 -16.977 4.074 1.00 0.00 O ATOM 0 H SER A 51 -3.134 -14.982 1.394 1.00 0.00 H new ATOM 0 HA SER A 51 -3.267 -15.389 4.357 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.551 -17.055 2.475 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.147 -16.033 2.237 1.00 0.00 H new ATOM 0 HG SER A 51 -0.735 -17.753 3.757 1.00 0.00 H new ATOM 819 N ALA A 52 -0.577 -14.278 4.376 1.00 0.00 N ATOM 820 CA ALA A 52 0.366 -13.187 4.769 1.00 0.00 C ATOM 821 C ALA A 52 1.232 -12.774 3.572 1.00 0.00 C ATOM 822 O ALA A 52 2.440 -12.683 3.676 1.00 0.00 O ATOM 823 CB ALA A 52 1.231 -13.790 5.875 1.00 0.00 C ATOM 0 H ALA A 52 -0.234 -15.225 4.536 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.157 -12.291 5.104 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.952 -13.048 6.218 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.597 -14.093 6.708 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.762 -14.660 5.488 1.00 0.00 H new ATOM 829 N LYS A 53 0.621 -12.524 2.440 1.00 0.00 N ATOM 830 CA LYS A 53 1.402 -12.116 1.234 1.00 0.00 C ATOM 831 C LYS A 53 0.844 -10.812 0.656 1.00 0.00 C ATOM 832 O LYS A 53 1.583 -9.945 0.230 1.00 0.00 O ATOM 833 CB LYS A 53 1.221 -13.263 0.240 1.00 0.00 C ATOM 834 CG LYS A 53 2.301 -14.321 0.477 1.00 0.00 C ATOM 835 CD LYS A 53 2.093 -15.488 -0.489 1.00 0.00 C ATOM 836 CE LYS A 53 1.091 -16.477 0.111 1.00 0.00 C ATOM 837 NZ LYS A 53 1.892 -17.317 1.043 1.00 0.00 N ATOM 0 H LYS A 53 -0.388 -12.585 2.300 1.00 0.00 H new ATOM 0 HA LYS A 53 2.452 -11.936 1.464 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.232 -13.706 0.356 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.284 -12.887 -0.781 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.290 -13.886 0.331 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.258 -14.675 1.507 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.727 -15.120 -1.447 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.042 -15.988 -0.682 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.290 -15.958 0.637 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.623 -17.084 -0.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.936 -18.291 0.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.855 -16.932 1.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.446 -17.316 1.982 1.00 0.00 H new ATOM 851 N ASP A 54 -0.458 -10.670 0.633 1.00 0.00 N ATOM 852 CA ASP A 54 -1.076 -9.423 0.077 1.00 0.00 C ATOM 853 C ASP A 54 -0.532 -8.179 0.791 1.00 0.00 C ATOM 854 O ASP A 54 -0.407 -7.123 0.199 1.00 0.00 O ATOM 855 CB ASP A 54 -2.583 -9.570 0.322 1.00 0.00 C ATOM 856 CG ASP A 54 -2.856 -9.741 1.819 1.00 0.00 C ATOM 857 OD1 ASP A 54 -2.986 -8.735 2.496 1.00 0.00 O ATOM 858 OD2 ASP A 54 -2.930 -10.876 2.263 1.00 0.00 O ATOM 0 H ASP A 54 -1.122 -11.364 0.976 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.847 -9.299 -0.981 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.108 -8.692 -0.054 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.967 -10.430 -0.227 1.00 0.00 H new ATOM 863 N LYS A 55 -0.214 -8.294 2.058 1.00 0.00 N ATOM 864 CA LYS A 55 0.314 -7.113 2.808 1.00 0.00 C ATOM 865 C LYS A 55 1.830 -7.217 2.995 1.00 0.00 C ATOM 866 O LYS A 55 2.377 -6.676 3.935 1.00 0.00 O ATOM 867 CB LYS A 55 -0.393 -7.148 4.163 1.00 0.00 C ATOM 868 CG LYS A 55 -0.286 -5.776 4.833 1.00 0.00 C ATOM 869 CD LYS A 55 -0.633 -5.903 6.317 1.00 0.00 C ATOM 870 CE LYS A 55 -0.444 -4.549 7.004 1.00 0.00 C ATOM 871 NZ LYS A 55 1.003 -4.493 7.351 1.00 0.00 N ATOM 0 H LYS A 55 -0.297 -9.152 2.603 1.00 0.00 H new ATOM 0 HA LYS A 55 0.129 -6.182 2.272 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.441 -7.419 4.031 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.056 -7.911 4.799 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.723 -5.381 4.717 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.962 -5.070 4.350 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.663 -6.241 6.433 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.003 -6.653 6.787 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.724 -3.728 6.343 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.067 -4.468 7.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.341 -3.512 7.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.140 -4.831 8.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.541 -5.097 6.697 1.00 0.00 H new ATOM 885 N GLN A 56 2.512 -7.914 2.120 1.00 0.00 N ATOM 886 CA GLN A 56 3.995 -8.042 2.264 1.00 0.00 C ATOM 887 C GLN A 56 4.720 -7.045 1.336 1.00 0.00 C ATOM 888 O GLN A 56 5.527 -6.268 1.807 1.00 0.00 O ATOM 889 CB GLN A 56 4.327 -9.490 1.889 1.00 0.00 C ATOM 890 CG GLN A 56 4.568 -10.312 3.158 1.00 0.00 C ATOM 891 CD GLN A 56 5.459 -11.511 2.828 1.00 0.00 C ATOM 892 OE1 GLN A 56 4.971 -12.565 2.472 1.00 0.00 O ATOM 893 NE2 GLN A 56 6.754 -11.395 2.933 1.00 0.00 N ATOM 0 H GLN A 56 2.109 -8.397 1.317 1.00 0.00 H new ATOM 0 HA GLN A 56 4.323 -7.813 3.278 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.509 -9.923 1.314 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.212 -9.517 1.254 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.041 -9.693 3.921 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.618 -10.654 3.569 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.164 -10.510 3.232 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.356 -12.189 2.716 1.00 0.00 H new ATOM 902 N PRO A 57 4.426 -7.082 0.049 1.00 0.00 N ATOM 903 CA PRO A 57 5.089 -6.150 -0.893 1.00 0.00 C ATOM 904 C PRO A 57 4.370 -4.794 -0.914 1.00 0.00 C ATOM 905 O PRO A 57 4.988 -3.761 -1.069 1.00 0.00 O ATOM 906 CB PRO A 57 4.947 -6.839 -2.240 1.00 0.00 C ATOM 907 CG PRO A 57 3.737 -7.708 -2.116 1.00 0.00 C ATOM 908 CD PRO A 57 3.486 -7.972 -0.651 1.00 0.00 C ATOM 0 HA PRO A 57 6.125 -5.946 -0.622 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.827 -6.111 -3.043 1.00 0.00 H new ATOM 0 HB3 PRO A 57 5.833 -7.430 -2.474 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.873 -7.220 -2.567 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.888 -8.646 -2.650 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.454 -7.752 -0.379 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.666 -9.017 -0.399 1.00 0.00 H new ATOM 916 N TYR A 58 3.068 -4.796 -0.775 1.00 0.00 N ATOM 917 CA TYR A 58 2.303 -3.509 -0.802 1.00 0.00 C ATOM 918 C TYR A 58 2.345 -2.801 0.563 1.00 0.00 C ATOM 919 O TYR A 58 1.708 -1.780 0.749 1.00 0.00 O ATOM 920 CB TYR A 58 0.862 -3.912 -1.154 1.00 0.00 C ATOM 921 CG TYR A 58 0.518 -3.430 -2.546 1.00 0.00 C ATOM 922 CD1 TYR A 58 0.009 -2.140 -2.733 1.00 0.00 C ATOM 923 CD2 TYR A 58 0.710 -4.274 -3.647 1.00 0.00 C ATOM 924 CE1 TYR A 58 -0.309 -1.693 -4.021 1.00 0.00 C ATOM 925 CE2 TYR A 58 0.392 -3.827 -4.934 1.00 0.00 C ATOM 926 CZ TYR A 58 -0.117 -2.536 -5.121 1.00 0.00 C ATOM 927 OH TYR A 58 -0.430 -2.096 -6.391 1.00 0.00 O ATOM 0 H TYR A 58 2.500 -5.633 -0.644 1.00 0.00 H new ATOM 0 HA TYR A 58 2.727 -2.807 -1.520 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.754 -4.995 -1.098 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.168 -3.485 -0.430 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -0.139 -1.489 -1.884 1.00 0.00 H new ATOM 0 HD2 TYR A 58 1.103 -5.269 -3.503 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -0.702 -0.698 -4.165 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.539 -4.478 -5.783 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.236 -2.804 -7.040 1.00 0.00 H new ATOM 937 N GLU A 59 3.078 -3.324 1.519 1.00 0.00 N ATOM 938 CA GLU A 59 3.141 -2.668 2.860 1.00 0.00 C ATOM 939 C GLU A 59 4.386 -1.773 2.970 1.00 0.00 C ATOM 940 O GLU A 59 4.426 -0.852 3.764 1.00 0.00 O ATOM 941 CB GLU A 59 3.185 -3.827 3.865 1.00 0.00 C ATOM 942 CG GLU A 59 4.516 -4.589 3.749 1.00 0.00 C ATOM 943 CD GLU A 59 5.446 -4.176 4.893 1.00 0.00 C ATOM 944 OE1 GLU A 59 5.108 -4.449 6.032 1.00 0.00 O ATOM 945 OE2 GLU A 59 6.480 -3.593 4.609 1.00 0.00 O ATOM 0 H GLU A 59 3.633 -4.175 1.426 1.00 0.00 H new ATOM 0 HA GLU A 59 2.289 -2.013 3.043 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.066 -3.443 4.878 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.353 -4.507 3.682 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.336 -5.663 3.783 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.986 -4.375 2.789 1.00 0.00 H new ATOM 952 N GLN A 60 5.396 -2.037 2.177 1.00 0.00 N ATOM 953 CA GLN A 60 6.633 -1.199 2.232 1.00 0.00 C ATOM 954 C GLN A 60 6.390 0.154 1.543 1.00 0.00 C ATOM 955 O GLN A 60 7.070 1.127 1.811 1.00 0.00 O ATOM 956 CB GLN A 60 7.712 -2.018 1.501 1.00 0.00 C ATOM 957 CG GLN A 60 7.370 -2.157 0.012 1.00 0.00 C ATOM 958 CD GLN A 60 8.060 -3.400 -0.555 1.00 0.00 C ATOM 959 OE1 GLN A 60 7.422 -4.248 -1.145 1.00 0.00 O ATOM 960 NE2 GLN A 60 9.348 -3.543 -0.401 1.00 0.00 N ATOM 0 H GLN A 60 5.417 -2.795 1.495 1.00 0.00 H new ATOM 0 HA GLN A 60 6.936 -0.973 3.254 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.682 -1.533 1.613 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.795 -3.006 1.954 1.00 0.00 H new ATOM 0 HG2 GLN A 60 6.291 -2.235 -0.119 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.693 -1.269 -0.531 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.885 -2.831 0.095 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.818 -4.367 -0.776 1.00 0.00 H new ATOM 969 N LYS A 61 5.420 0.219 0.662 1.00 0.00 N ATOM 970 CA LYS A 61 5.122 1.504 -0.043 1.00 0.00 C ATOM 971 C LYS A 61 4.728 2.579 0.975 1.00 0.00 C ATOM 972 O LYS A 61 5.145 3.718 0.878 1.00 0.00 O ATOM 973 CB LYS A 61 3.949 1.182 -0.978 1.00 0.00 C ATOM 974 CG LYS A 61 3.529 2.439 -1.744 1.00 0.00 C ATOM 975 CD LYS A 61 2.685 2.040 -2.956 1.00 0.00 C ATOM 976 CE LYS A 61 2.575 3.226 -3.916 1.00 0.00 C ATOM 977 NZ LYS A 61 1.540 2.822 -4.909 1.00 0.00 N ATOM 0 H LYS A 61 4.821 -0.565 0.401 1.00 0.00 H new ATOM 0 HA LYS A 61 5.981 1.888 -0.593 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.237 0.398 -1.679 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.107 0.800 -0.400 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.959 3.101 -1.093 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.411 2.992 -2.068 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.139 1.189 -3.464 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.692 1.727 -2.633 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.284 4.135 -3.389 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.529 3.431 -4.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.408 3.585 -5.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.848 1.958 -5.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.641 2.640 -4.419 1.00 0.00 H new ATOM 991 N ALA A 62 3.935 2.220 1.953 1.00 0.00 N ATOM 992 CA ALA A 62 3.519 3.216 2.987 1.00 0.00 C ATOM 993 C ALA A 62 4.697 3.559 3.911 1.00 0.00 C ATOM 994 O ALA A 62 4.631 4.505 4.675 1.00 0.00 O ATOM 995 CB ALA A 62 2.400 2.533 3.777 1.00 0.00 C ATOM 0 H ALA A 62 3.558 1.281 2.080 1.00 0.00 H new ATOM 0 HA ALA A 62 3.188 4.153 2.538 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.043 3.205 4.557 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.578 2.287 3.105 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.782 1.619 4.233 1.00 0.00 H new ATOM 1001 N ALA A 63 5.775 2.814 3.839 1.00 0.00 N ATOM 1002 CA ALA A 63 6.955 3.116 4.702 1.00 0.00 C ATOM 1003 C ALA A 63 7.880 4.133 4.013 1.00 0.00 C ATOM 1004 O ALA A 63 8.945 4.444 4.512 1.00 0.00 O ATOM 1005 CB ALA A 63 7.669 1.776 4.877 1.00 0.00 C ATOM 0 H ALA A 63 5.886 2.011 3.220 1.00 0.00 H new ATOM 0 HA ALA A 63 6.664 3.553 5.657 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.551 1.913 5.502 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.995 1.064 5.352 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.971 1.394 3.902 1.00 0.00 H new ATOM 1011 N LYS A 64 7.474 4.670 2.884 1.00 0.00 N ATOM 1012 CA LYS A 64 8.313 5.682 2.179 1.00 0.00 C ATOM 1013 C LYS A 64 7.693 7.065 2.360 1.00 0.00 C ATOM 1014 O LYS A 64 8.380 8.064 2.454 1.00 0.00 O ATOM 1015 CB LYS A 64 8.278 5.267 0.709 1.00 0.00 C ATOM 1016 CG LYS A 64 9.209 4.072 0.490 1.00 0.00 C ATOM 1017 CD LYS A 64 10.658 4.499 0.732 1.00 0.00 C ATOM 1018 CE LYS A 64 11.605 3.438 0.166 1.00 0.00 C ATOM 1019 NZ LYS A 64 11.671 3.722 -1.295 1.00 0.00 N ATOM 0 H LYS A 64 6.592 4.446 2.422 1.00 0.00 H new ATOM 0 HA LYS A 64 9.333 5.727 2.561 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.260 5.006 0.419 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.586 6.101 0.078 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.941 3.260 1.166 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.096 3.691 -0.525 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.848 5.462 0.258 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.837 4.629 1.799 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.591 3.503 0.626 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.230 2.432 0.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.618 2.829 -1.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.875 4.333 -1.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.567 4.202 -1.515 1.00 0.00 H new ATOM 1033 N LEU A 65 6.387 7.117 2.414 1.00 0.00 N ATOM 1034 CA LEU A 65 5.682 8.420 2.596 1.00 0.00 C ATOM 1035 C LEU A 65 5.705 8.858 4.070 1.00 0.00 C ATOM 1036 O LEU A 65 5.178 9.898 4.417 1.00 0.00 O ATOM 1037 CB LEU A 65 4.244 8.154 2.144 1.00 0.00 C ATOM 1038 CG LEU A 65 4.125 8.415 0.642 1.00 0.00 C ATOM 1039 CD1 LEU A 65 4.616 7.188 -0.129 1.00 0.00 C ATOM 1040 CD2 LEU A 65 2.661 8.686 0.289 1.00 0.00 C ATOM 0 H LEU A 65 5.774 6.305 2.339 1.00 0.00 H new ATOM 0 HA LEU A 65 6.157 9.220 2.028 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.966 7.124 2.368 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.555 8.797 2.691 1.00 0.00 H new ATOM 0 HG LEU A 65 4.732 9.280 0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.531 7.373 -1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.658 6.992 0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.009 6.323 0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.573 8.872 -0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.056 7.820 0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.310 9.559 0.839 1.00 0.00 H new ATOM 1052 N LYS A 66 6.319 8.083 4.938 1.00 0.00 N ATOM 1053 CA LYS A 66 6.380 8.469 6.378 1.00 0.00 C ATOM 1054 C LYS A 66 7.653 9.277 6.646 1.00 0.00 C ATOM 1055 O LYS A 66 7.708 10.078 7.561 1.00 0.00 O ATOM 1056 CB LYS A 66 6.410 7.146 7.144 1.00 0.00 C ATOM 1057 CG LYS A 66 6.105 7.404 8.620 1.00 0.00 C ATOM 1058 CD LYS A 66 5.721 6.088 9.300 1.00 0.00 C ATOM 1059 CE LYS A 66 5.793 6.258 10.819 1.00 0.00 C ATOM 1060 NZ LYS A 66 7.223 6.022 11.165 1.00 0.00 N ATOM 0 H LYS A 66 6.778 7.202 4.706 1.00 0.00 H new ATOM 0 HA LYS A 66 5.536 9.090 6.679 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.678 6.455 6.726 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.388 6.676 7.041 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.975 7.839 9.111 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.293 8.125 8.714 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.714 5.794 9.004 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.393 5.292 8.980 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.473 7.256 11.120 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.141 5.547 11.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.473 6.578 12.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.370 5.011 11.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.825 6.311 10.368 1.00 0.00 H new ATOM 1074 N GLU A 67 8.676 9.075 5.849 1.00 0.00 N ATOM 1075 CA GLU A 67 9.946 9.834 6.045 1.00 0.00 C ATOM 1076 C GLU A 67 9.878 11.197 5.337 1.00 0.00 C ATOM 1077 O GLU A 67 10.685 12.071 5.589 1.00 0.00 O ATOM 1078 CB GLU A 67 11.028 8.957 5.415 1.00 0.00 C ATOM 1079 CG GLU A 67 11.566 7.978 6.462 1.00 0.00 C ATOM 1080 CD GLU A 67 12.622 8.677 7.319 1.00 0.00 C ATOM 1081 OE1 GLU A 67 13.640 9.064 6.771 1.00 0.00 O ATOM 1082 OE2 GLU A 67 12.394 8.812 8.510 1.00 0.00 O ATOM 0 H GLU A 67 8.683 8.416 5.071 1.00 0.00 H new ATOM 0 HA GLU A 67 10.142 10.039 7.097 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.619 8.409 4.566 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.838 9.578 5.033 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.752 7.618 7.091 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.999 7.106 5.972 1.00 0.00 H new ATOM 1089 N LYS A 68 8.918 11.386 4.461 1.00 0.00 N ATOM 1090 CA LYS A 68 8.794 12.692 3.748 1.00 0.00 C ATOM 1091 C LYS A 68 7.657 13.513 4.361 1.00 0.00 C ATOM 1092 O LYS A 68 7.691 14.729 4.367 1.00 0.00 O ATOM 1093 CB LYS A 68 8.472 12.324 2.299 1.00 0.00 C ATOM 1094 CG LYS A 68 9.738 11.809 1.610 1.00 0.00 C ATOM 1095 CD LYS A 68 9.671 12.130 0.116 1.00 0.00 C ATOM 1096 CE LYS A 68 10.109 13.577 -0.117 1.00 0.00 C ATOM 1097 NZ LYS A 68 10.169 13.727 -1.596 1.00 0.00 N ATOM 0 H LYS A 68 8.216 10.689 4.211 1.00 0.00 H new ATOM 0 HA LYS A 68 9.700 13.294 3.820 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.694 11.561 2.271 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.085 13.194 1.769 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.620 12.271 2.053 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.834 10.733 1.758 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.315 11.450 -0.442 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.656 11.983 -0.253 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.401 14.279 0.323 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.079 13.774 0.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.463 14.696 -1.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.856 13.050 -1.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.230 13.540 -2.002 1.00 0.00 H new ATOM 1111 N TYR A 69 6.657 12.852 4.885 1.00 0.00 N ATOM 1112 CA TYR A 69 5.514 13.579 5.513 1.00 0.00 C ATOM 1113 C TYR A 69 5.940 14.130 6.877 1.00 0.00 C ATOM 1114 O TYR A 69 5.793 15.304 7.154 1.00 0.00 O ATOM 1115 CB TYR A 69 4.410 12.522 5.673 1.00 0.00 C ATOM 1116 CG TYR A 69 3.195 13.128 6.343 1.00 0.00 C ATOM 1117 CD1 TYR A 69 3.191 13.337 7.728 1.00 0.00 C ATOM 1118 CD2 TYR A 69 2.075 13.478 5.579 1.00 0.00 C ATOM 1119 CE1 TYR A 69 2.068 13.897 8.348 1.00 0.00 C ATOM 1120 CE2 TYR A 69 0.951 14.037 6.201 1.00 0.00 C ATOM 1121 CZ TYR A 69 0.949 14.248 7.585 1.00 0.00 C ATOM 1122 OH TYR A 69 -0.158 14.800 8.197 1.00 0.00 O ATOM 0 H TYR A 69 6.583 11.835 4.905 1.00 0.00 H new ATOM 0 HA TYR A 69 5.176 14.426 4.916 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.134 12.124 4.697 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.781 11.686 6.265 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.054 13.066 8.318 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.078 13.317 4.511 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.065 14.058 9.416 1.00 0.00 H new ATOM 0 HE2 TYR A 69 0.086 14.305 5.613 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.845 14.986 7.524 1.00 0.00 H new ATOM 1132 N GLU A 70 6.462 13.285 7.727 1.00 0.00 N ATOM 1133 CA GLU A 70 6.894 13.743 9.086 1.00 0.00 C ATOM 1134 C GLU A 70 8.127 14.657 9.006 1.00 0.00 C ATOM 1135 O GLU A 70 8.522 15.249 9.993 1.00 0.00 O ATOM 1136 CB GLU A 70 7.235 12.461 9.850 1.00 0.00 C ATOM 1137 CG GLU A 70 5.946 11.805 10.347 1.00 0.00 C ATOM 1138 CD GLU A 70 6.285 10.755 11.407 1.00 0.00 C ATOM 1139 OE1 GLU A 70 6.334 11.114 12.572 1.00 0.00 O ATOM 1140 OE2 GLU A 70 6.487 9.611 11.036 1.00 0.00 O ATOM 0 H GLU A 70 6.609 12.293 7.540 1.00 0.00 H new ATOM 0 HA GLU A 70 6.112 14.325 9.574 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.779 11.773 9.203 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.887 12.690 10.693 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.280 12.559 10.766 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.418 11.340 9.515 1.00 0.00 H new ATOM 1147 N LYS A 71 8.743 14.776 7.852 1.00 0.00 N ATOM 1148 CA LYS A 71 9.949 15.650 7.735 1.00 0.00 C ATOM 1149 C LYS A 71 9.628 16.910 6.925 1.00 0.00 C ATOM 1150 O LYS A 71 10.170 17.971 7.174 1.00 0.00 O ATOM 1151 CB LYS A 71 10.985 14.796 7.004 1.00 0.00 C ATOM 1152 CG LYS A 71 11.630 13.821 7.989 1.00 0.00 C ATOM 1153 CD LYS A 71 12.924 13.267 7.387 1.00 0.00 C ATOM 1154 CE LYS A 71 13.373 12.039 8.180 1.00 0.00 C ATOM 1155 NZ LYS A 71 13.906 12.581 9.461 1.00 0.00 N ATOM 0 H LYS A 71 8.462 14.307 6.991 1.00 0.00 H new ATOM 0 HA LYS A 71 10.305 15.987 8.709 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.511 14.247 6.191 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.747 15.434 6.556 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.842 14.327 8.931 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.942 13.005 8.213 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.766 13.000 6.342 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.702 14.030 7.407 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.541 11.357 8.356 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.136 11.478 7.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.676 11.971 9.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.269 13.543 9.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.145 12.608 10.170 1.00 0.00 H new ATOM 1169 N ASP A 72 8.760 16.799 5.951 1.00 0.00 N ATOM 1170 CA ASP A 72 8.411 17.986 5.113 1.00 0.00 C ATOM 1171 C ASP A 72 7.273 18.792 5.749 1.00 0.00 C ATOM 1172 O ASP A 72 7.224 20.002 5.633 1.00 0.00 O ATOM 1173 CB ASP A 72 7.966 17.402 3.772 1.00 0.00 C ATOM 1174 CG ASP A 72 7.961 18.503 2.711 1.00 0.00 C ATOM 1175 OD1 ASP A 72 7.146 19.404 2.823 1.00 0.00 O ATOM 1176 OD2 ASP A 72 8.772 18.427 1.802 1.00 0.00 O ATOM 0 H ASP A 72 8.277 15.936 5.700 1.00 0.00 H new ATOM 0 HA ASP A 72 9.253 18.671 5.009 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.638 16.598 3.473 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.971 16.968 3.865 1.00 0.00 H new ATOM 1181 N ILE A 73 6.354 18.131 6.409 1.00 0.00 N ATOM 1182 CA ILE A 73 5.212 18.863 7.041 1.00 0.00 C ATOM 1183 C ILE A 73 5.713 19.822 8.137 1.00 0.00 C ATOM 1184 O ILE A 73 5.026 20.753 8.514 1.00 0.00 O ATOM 1185 CB ILE A 73 4.290 17.765 7.610 1.00 0.00 C ATOM 1186 CG1 ILE A 73 2.912 18.365 7.895 1.00 0.00 C ATOM 1187 CG2 ILE A 73 4.865 17.171 8.904 1.00 0.00 C ATOM 1188 CD1 ILE A 73 2.054 18.287 6.630 1.00 0.00 C ATOM 0 H ILE A 73 6.345 17.119 6.537 1.00 0.00 H new ATOM 0 HA ILE A 73 4.679 19.491 6.327 1.00 0.00 H new ATOM 0 HB ILE A 73 4.210 16.965 6.874 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.429 17.825 8.709 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.014 19.402 8.216 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.193 16.400 9.281 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.842 16.733 8.700 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.969 17.958 9.651 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.071 18.714 6.830 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.536 18.846 5.828 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.943 17.245 6.330 1.00 0.00 H new