USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=16 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+ 152:sc= 0 (180deg=-0.0126) USER MOD Single : A 14 SER OG : rot -62:sc= 0.175 USER MOD Single : A 20 CYS SG : rot 123:sc=0.000528 USER MOD Single : A 21 SER OG : rot -99:sc= 1.21 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+ -163:sc=-0.00276 (180deg=-0.341) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= 0.0017 K(o=0.0017,f=-3!) USER MOD Single : A 35 SER OG : rot 180:sc= -0.121 USER MOD Single : A 39 THR OG1 : rot 65:sc= -0.947 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=-0.00165 K(o=-0.0016,f=-2.2!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0419 X(o=-0.042,f=-0.06) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.227) USER MOD Single : A 68 LYS NZ :NH3+ -158:sc= -0.0537 (180deg=-0.566) 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 1.187 16.027 1.596 1.00 0.00 N ATOM 137 CA PRO A 9 1.085 14.615 2.041 1.00 0.00 C ATOM 138 C PRO A 9 -0.284 14.351 2.672 1.00 0.00 C ATOM 139 O PRO A 9 -0.514 14.653 3.827 1.00 0.00 O ATOM 140 CB PRO A 9 2.203 14.478 3.072 1.00 0.00 C ATOM 141 CG PRO A 9 2.434 15.862 3.580 1.00 0.00 C ATOM 142 CD PRO A 9 2.099 16.806 2.453 1.00 0.00 C ATOM 0 HA PRO A 9 1.182 13.900 1.224 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.915 13.805 3.879 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.107 14.067 2.622 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.809 16.063 4.450 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.470 15.989 3.895 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.622 17.714 2.821 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.993 17.113 1.910 1.00 0.00 H new ATOM 150 N LYS A 10 -1.192 13.781 1.917 1.00 0.00 N ATOM 151 CA LYS A 10 -2.548 13.484 2.464 1.00 0.00 C ATOM 152 C LYS A 10 -2.438 12.429 3.570 1.00 0.00 C ATOM 153 O LYS A 10 -1.399 12.279 4.185 1.00 0.00 O ATOM 154 CB LYS A 10 -3.360 12.958 1.268 1.00 0.00 C ATOM 155 CG LYS A 10 -2.713 11.683 0.715 1.00 0.00 C ATOM 156 CD LYS A 10 -2.812 11.674 -0.812 1.00 0.00 C ATOM 157 CE LYS A 10 -1.904 10.580 -1.378 1.00 0.00 C ATOM 158 NZ LYS A 10 -0.563 11.217 -1.495 1.00 0.00 N ATOM 0 H LYS A 10 -1.050 13.509 0.944 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.024 14.358 2.908 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.385 12.751 1.576 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.409 13.718 0.489 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.668 11.632 1.021 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.209 10.804 1.126 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.843 11.500 -1.119 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.521 12.645 -1.211 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.873 9.712 -0.719 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.262 10.232 -2.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.175 10.490 -1.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.481 11.685 -2.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.446 11.921 -0.739 1.00 0.00 H new ATOM 172 N ARG A 11 -3.493 11.694 3.826 1.00 0.00 N ATOM 173 CA ARG A 11 -3.441 10.643 4.894 1.00 0.00 C ATOM 174 C ARG A 11 -2.282 9.666 4.628 1.00 0.00 C ATOM 175 O ARG A 11 -1.971 9.388 3.487 1.00 0.00 O ATOM 176 CB ARG A 11 -4.783 9.911 4.805 1.00 0.00 C ATOM 177 CG ARG A 11 -5.754 10.491 5.835 1.00 0.00 C ATOM 178 CD ARG A 11 -6.299 11.828 5.328 1.00 0.00 C ATOM 179 NE ARG A 11 -6.946 12.455 6.514 1.00 0.00 N ATOM 180 CZ ARG A 11 -6.358 13.443 7.133 1.00 0.00 C ATOM 181 NH1 ARG A 11 -5.510 13.198 8.094 1.00 0.00 N ATOM 182 NH2 ARG A 11 -6.619 14.674 6.790 1.00 0.00 N ATOM 0 H ARG A 11 -4.388 11.775 3.343 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.276 11.074 5.881 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.198 10.012 3.802 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.640 8.845 4.985 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.574 9.795 6.009 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.247 10.632 6.790 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.500 12.457 4.936 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.015 11.681 4.519 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.849 12.112 6.843 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.307 12.235 8.361 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.051 13.970 8.578 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.282 14.864 6.039 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.160 15.446 7.273 1.00 0.00 H new ATOM 196 N PRO A 12 -1.671 9.175 5.685 1.00 0.00 N ATOM 197 CA PRO A 12 -0.539 8.232 5.518 1.00 0.00 C ATOM 198 C PRO A 12 -1.054 6.853 5.069 1.00 0.00 C ATOM 199 O PRO A 12 -1.918 6.289 5.711 1.00 0.00 O ATOM 200 CB PRO A 12 0.075 8.152 6.912 1.00 0.00 C ATOM 201 CG PRO A 12 -1.032 8.513 7.847 1.00 0.00 C ATOM 202 CD PRO A 12 -1.960 9.438 7.104 1.00 0.00 C ATOM 0 HA PRO A 12 0.177 8.554 4.762 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.455 7.151 7.119 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.915 8.839 7.012 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.563 7.620 8.178 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.638 8.999 8.740 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.003 9.232 7.343 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.774 10.481 7.362 1.00 0.00 H new ATOM 210 N PRO A 13 -0.514 6.343 3.980 1.00 0.00 N ATOM 211 CA PRO A 13 -0.950 5.021 3.481 1.00 0.00 C ATOM 212 C PRO A 13 -0.237 3.913 4.258 1.00 0.00 C ATOM 213 O PRO A 13 0.641 4.180 5.058 1.00 0.00 O ATOM 214 CB PRO A 13 -0.521 5.030 2.017 1.00 0.00 C ATOM 215 CG PRO A 13 0.617 6.002 1.935 1.00 0.00 C ATOM 216 CD PRO A 13 0.531 6.926 3.126 1.00 0.00 C ATOM 0 HA PRO A 13 -2.019 4.841 3.598 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.211 4.036 1.693 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.343 5.334 1.370 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.570 5.473 1.932 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.565 6.571 1.007 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.484 6.984 3.651 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.273 7.940 2.822 1.00 0.00 H new ATOM 224 N SER A 14 -0.604 2.675 4.034 1.00 0.00 N ATOM 225 CA SER A 14 0.060 1.552 4.768 1.00 0.00 C ATOM 226 C SER A 14 -0.379 0.194 4.208 1.00 0.00 C ATOM 227 O SER A 14 -1.016 -0.587 4.888 1.00 0.00 O ATOM 228 CB SER A 14 -0.394 1.701 6.224 1.00 0.00 C ATOM 229 OG SER A 14 0.255 0.718 7.020 1.00 0.00 O ATOM 0 H SER A 14 -1.332 2.394 3.377 1.00 0.00 H new ATOM 0 HA SER A 14 1.145 1.593 4.668 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.155 2.699 6.591 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.476 1.586 6.294 1.00 0.00 H new ATOM 0 HG SER A 14 -0.003 -0.176 6.711 1.00 0.00 H new ATOM 235 N ALA A 15 -0.050 -0.096 2.965 1.00 0.00 N ATOM 236 CA ALA A 15 -0.438 -1.401 2.325 1.00 0.00 C ATOM 237 C ALA A 15 -1.940 -1.445 2.045 1.00 0.00 C ATOM 238 O ALA A 15 -2.357 -1.338 0.908 1.00 0.00 O ATOM 239 CB ALA A 15 -0.018 -2.529 3.284 1.00 0.00 C ATOM 0 H ALA A 15 0.480 0.528 2.357 1.00 0.00 H new ATOM 0 HA ALA A 15 0.064 -1.518 1.364 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.285 -3.493 2.851 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.060 -2.489 3.443 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.531 -2.405 4.238 1.00 0.00 H new ATOM 245 N PHE A 16 -2.759 -1.617 3.059 1.00 0.00 N ATOM 246 CA PHE A 16 -4.248 -1.686 2.843 1.00 0.00 C ATOM 247 C PHE A 16 -4.737 -0.560 1.921 1.00 0.00 C ATOM 248 O PHE A 16 -5.401 -0.805 0.932 1.00 0.00 O ATOM 249 CB PHE A 16 -4.858 -1.525 4.234 1.00 0.00 C ATOM 250 CG PHE A 16 -6.315 -1.919 4.184 1.00 0.00 C ATOM 251 CD1 PHE A 16 -6.679 -3.196 3.740 1.00 0.00 C ATOM 252 CD2 PHE A 16 -7.302 -1.007 4.576 1.00 0.00 C ATOM 253 CE1 PHE A 16 -8.029 -3.560 3.687 1.00 0.00 C ATOM 254 CE2 PHE A 16 -8.652 -1.371 4.523 1.00 0.00 C ATOM 255 CZ PHE A 16 -9.016 -2.648 4.078 1.00 0.00 C ATOM 0 H PHE A 16 -2.462 -1.713 4.030 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.534 -2.622 2.363 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.325 -2.147 4.953 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.759 -0.493 4.571 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.918 -3.900 3.438 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -7.021 -0.022 4.919 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -8.309 -4.545 3.344 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -9.413 -0.667 4.825 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.058 -2.929 4.037 1.00 0.00 H new ATOM 265 N PHE A 17 -4.404 0.667 2.237 1.00 0.00 N ATOM 266 CA PHE A 17 -4.840 1.809 1.373 1.00 0.00 C ATOM 267 C PHE A 17 -4.315 1.613 -0.053 1.00 0.00 C ATOM 268 O PHE A 17 -4.999 1.892 -1.019 1.00 0.00 O ATOM 269 CB PHE A 17 -4.223 3.058 2.007 1.00 0.00 C ATOM 270 CG PHE A 17 -5.006 4.277 1.583 1.00 0.00 C ATOM 271 CD1 PHE A 17 -6.140 4.667 2.306 1.00 0.00 C ATOM 272 CD2 PHE A 17 -4.599 5.016 0.466 1.00 0.00 C ATOM 273 CE1 PHE A 17 -6.866 5.796 1.914 1.00 0.00 C ATOM 274 CE2 PHE A 17 -5.327 6.147 0.073 1.00 0.00 C ATOM 275 CZ PHE A 17 -6.460 6.537 0.797 1.00 0.00 C ATOM 0 H PHE A 17 -3.851 0.927 3.053 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.925 1.887 1.309 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.229 2.968 3.093 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.181 3.157 1.701 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.454 4.095 3.167 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.725 4.715 -0.092 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.740 6.097 2.473 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.014 6.718 -0.789 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.021 7.409 0.494 1.00 0.00 H new ATOM 285 N LEU A 18 -3.104 1.130 -0.184 1.00 0.00 N ATOM 286 CA LEU A 18 -2.524 0.906 -1.544 1.00 0.00 C ATOM 287 C LEU A 18 -3.326 -0.169 -2.279 1.00 0.00 C ATOM 288 O LEU A 18 -3.623 -0.041 -3.451 1.00 0.00 O ATOM 289 CB LEU A 18 -1.082 0.420 -1.316 1.00 0.00 C ATOM 290 CG LEU A 18 -0.293 1.406 -0.436 1.00 0.00 C ATOM 291 CD1 LEU A 18 1.163 0.945 -0.348 1.00 0.00 C ATOM 292 CD2 LEU A 18 -0.335 2.814 -1.044 1.00 0.00 C ATOM 0 H LEU A 18 -2.492 0.881 0.593 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.550 1.814 -2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.097 -0.562 -0.842 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.579 0.303 -2.276 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.742 1.432 0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.728 1.639 0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.203 -0.051 0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.597 0.918 -1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.227 3.501 -0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.108 2.794 -2.040 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.370 3.149 -1.114 1.00 0.00 H new ATOM 304 N PHE A 19 -3.674 -1.229 -1.594 1.00 0.00 N ATOM 305 CA PHE A 19 -4.456 -2.327 -2.241 1.00 0.00 C ATOM 306 C PHE A 19 -5.872 -1.849 -2.565 1.00 0.00 C ATOM 307 O PHE A 19 -6.341 -1.980 -3.679 1.00 0.00 O ATOM 308 CB PHE A 19 -4.495 -3.455 -1.206 1.00 0.00 C ATOM 309 CG PHE A 19 -5.192 -4.660 -1.792 1.00 0.00 C ATOM 310 CD1 PHE A 19 -4.499 -5.518 -2.652 1.00 0.00 C ATOM 311 CD2 PHE A 19 -6.532 -4.918 -1.474 1.00 0.00 C ATOM 312 CE1 PHE A 19 -5.145 -6.636 -3.195 1.00 0.00 C ATOM 313 CE2 PHE A 19 -7.176 -6.035 -2.017 1.00 0.00 C ATOM 314 CZ PHE A 19 -6.483 -6.894 -2.878 1.00 0.00 C ATOM 0 H PHE A 19 -3.449 -1.382 -0.611 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.007 -2.652 -3.180 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.482 -3.720 -0.904 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.017 -3.121 -0.309 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.466 -5.319 -2.897 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.067 -4.255 -0.810 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.610 -7.299 -3.859 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -8.209 -6.235 -1.772 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.981 -7.756 -3.297 1.00 0.00 H new ATOM 324 N CYS A 20 -6.556 -1.296 -1.594 1.00 0.00 N ATOM 325 CA CYS A 20 -7.952 -0.806 -1.830 1.00 0.00 C ATOM 326 C CYS A 20 -7.986 0.194 -2.992 1.00 0.00 C ATOM 327 O CYS A 20 -8.710 0.018 -3.953 1.00 0.00 O ATOM 328 CB CYS A 20 -8.360 -0.117 -0.524 1.00 0.00 C ATOM 329 SG CYS A 20 -9.260 -1.286 0.529 1.00 0.00 S ATOM 0 H CYS A 20 -6.208 -1.162 -0.645 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.627 -1.620 -2.095 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.475 0.250 -0.003 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.985 0.750 -0.739 1.00 0.00 H new ATOM 0 HG CYS A 20 -8.663 -1.381 1.680 1.00 0.00 H new ATOM 335 N SER A 21 -7.208 1.244 -2.905 1.00 0.00 N ATOM 336 CA SER A 21 -7.190 2.268 -3.999 1.00 0.00 C ATOM 337 C SER A 21 -6.864 1.618 -5.349 1.00 0.00 C ATOM 338 O SER A 21 -7.305 2.074 -6.387 1.00 0.00 O ATOM 339 CB SER A 21 -6.090 3.256 -3.606 1.00 0.00 C ATOM 340 OG SER A 21 -4.847 2.569 -3.538 1.00 0.00 O ATOM 0 H SER A 21 -6.583 1.438 -2.123 1.00 0.00 H new ATOM 0 HA SER A 21 -8.159 2.754 -4.111 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.033 4.064 -4.335 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.321 3.711 -2.643 1.00 0.00 H new ATOM 0 HG SER A 21 -4.645 2.350 -2.604 1.00 0.00 H new ATOM 346 N GLU A 22 -6.088 0.563 -5.341 1.00 0.00 N ATOM 347 CA GLU A 22 -5.723 -0.113 -6.622 1.00 0.00 C ATOM 348 C GLU A 22 -6.771 -1.163 -7.004 1.00 0.00 C ATOM 349 O GLU A 22 -6.949 -1.470 -8.168 1.00 0.00 O ATOM 350 CB GLU A 22 -4.378 -0.782 -6.344 1.00 0.00 C ATOM 351 CG GLU A 22 -3.244 0.196 -6.659 1.00 0.00 C ATOM 352 CD GLU A 22 -3.213 0.476 -8.162 1.00 0.00 C ATOM 353 OE1 GLU A 22 -2.530 -0.250 -8.866 1.00 0.00 O ATOM 354 OE2 GLU A 22 -3.873 1.412 -8.585 1.00 0.00 O ATOM 0 H GLU A 22 -5.692 0.141 -4.501 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.673 0.592 -7.452 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.324 -1.094 -5.301 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.275 -1.681 -6.951 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.388 1.126 -6.108 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.290 -0.221 -6.336 1.00 0.00 H new ATOM 361 N TYR A 23 -7.457 -1.721 -6.037 1.00 0.00 N ATOM 362 CA TYR A 23 -8.485 -2.760 -6.349 1.00 0.00 C ATOM 363 C TYR A 23 -9.898 -2.161 -6.367 1.00 0.00 C ATOM 364 O TYR A 23 -10.875 -2.884 -6.336 1.00 0.00 O ATOM 365 CB TYR A 23 -8.359 -3.793 -5.230 1.00 0.00 C ATOM 366 CG TYR A 23 -7.374 -4.863 -5.641 1.00 0.00 C ATOM 367 CD1 TYR A 23 -6.000 -4.595 -5.620 1.00 0.00 C ATOM 368 CD2 TYR A 23 -7.836 -6.121 -6.044 1.00 0.00 C ATOM 369 CE1 TYR A 23 -5.088 -5.586 -6.002 1.00 0.00 C ATOM 370 CE2 TYR A 23 -6.924 -7.112 -6.425 1.00 0.00 C ATOM 371 CZ TYR A 23 -5.551 -6.845 -6.405 1.00 0.00 C ATOM 372 OH TYR A 23 -4.652 -7.821 -6.782 1.00 0.00 O ATOM 0 H TYR A 23 -7.349 -1.502 -5.047 1.00 0.00 H new ATOM 0 HA TYR A 23 -8.325 -3.195 -7.336 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.026 -3.311 -4.311 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -9.331 -4.239 -5.021 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -5.644 -3.624 -5.309 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.896 -6.327 -6.061 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.028 -5.380 -5.986 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.280 -8.083 -6.735 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.138 -8.635 -7.032 1.00 0.00 H new ATOM 382 N ARG A 24 -10.021 -0.855 -6.418 1.00 0.00 N ATOM 383 CA ARG A 24 -11.369 -0.226 -6.443 1.00 0.00 C ATOM 384 C ARG A 24 -11.925 -0.079 -7.873 1.00 0.00 C ATOM 385 O ARG A 24 -13.081 -0.377 -8.080 1.00 0.00 O ATOM 386 CB ARG A 24 -11.193 1.148 -5.810 1.00 0.00 C ATOM 387 CG ARG A 24 -11.477 1.068 -4.309 1.00 0.00 C ATOM 388 CD ARG A 24 -11.039 2.372 -3.636 1.00 0.00 C ATOM 389 NE ARG A 24 -12.280 3.194 -3.528 1.00 0.00 N ATOM 390 CZ ARG A 24 -12.234 4.367 -2.956 1.00 0.00 C ATOM 391 NH1 ARG A 24 -11.713 5.382 -3.589 1.00 0.00 N ATOM 392 NH2 ARG A 24 -12.713 4.525 -1.752 1.00 0.00 N ATOM 0 H ARG A 24 -9.239 -0.200 -6.443 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.085 -0.849 -5.906 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.178 1.509 -5.979 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.868 1.864 -6.279 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.540 0.897 -4.138 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.944 0.224 -3.872 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.606 2.182 -2.654 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.278 2.883 -4.226 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.162 2.841 -3.900 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.341 5.259 -4.531 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.677 6.298 -3.142 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.123 3.732 -1.258 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.677 5.441 -1.305 1.00 0.00 H new ATOM 406 N PRO A 25 -11.118 0.383 -8.825 1.00 0.00 N ATOM 407 CA PRO A 25 -11.633 0.560 -10.213 1.00 0.00 C ATOM 408 C PRO A 25 -11.994 -0.793 -10.828 1.00 0.00 C ATOM 409 O PRO A 25 -12.745 -0.864 -11.785 1.00 0.00 O ATOM 410 CB PRO A 25 -10.489 1.249 -10.951 1.00 0.00 C ATOM 411 CG PRO A 25 -9.267 0.903 -10.174 1.00 0.00 C ATOM 412 CD PRO A 25 -9.692 0.752 -8.736 1.00 0.00 C ATOM 0 HA PRO A 25 -12.549 1.148 -10.261 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.415 0.898 -11.980 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.639 2.328 -10.992 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.822 -0.021 -10.544 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.512 1.683 -10.274 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.111 -0.017 -8.226 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.553 1.678 -8.179 1.00 0.00 H new ATOM 420 N LYS A 26 -11.501 -1.867 -10.265 1.00 0.00 N ATOM 421 CA LYS A 26 -11.853 -3.216 -10.789 1.00 0.00 C ATOM 422 C LYS A 26 -13.306 -3.506 -10.425 1.00 0.00 C ATOM 423 O LYS A 26 -14.109 -3.893 -11.253 1.00 0.00 O ATOM 424 CB LYS A 26 -10.929 -4.183 -10.054 1.00 0.00 C ATOM 425 CG LYS A 26 -10.994 -5.561 -10.716 1.00 0.00 C ATOM 426 CD LYS A 26 -12.181 -6.343 -10.151 1.00 0.00 C ATOM 427 CE LYS A 26 -12.003 -7.832 -10.456 1.00 0.00 C ATOM 428 NZ LYS A 26 -12.430 -7.987 -11.874 1.00 0.00 N ATOM 0 H LYS A 26 -10.869 -1.865 -9.464 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.742 -3.299 -11.870 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.906 -3.808 -10.072 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.223 -4.257 -9.007 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.097 -5.453 -11.796 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.067 -6.106 -10.537 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.253 -6.188 -9.075 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.111 -5.980 -10.589 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.967 -8.142 -10.319 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.610 -8.447 -9.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.337 -8.983 -12.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -13.422 -7.691 -11.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.830 -7.396 -12.484 1.00 0.00 H new ATOM 442 N ILE A 27 -13.641 -3.311 -9.175 1.00 0.00 N ATOM 443 CA ILE A 27 -15.039 -3.558 -8.703 1.00 0.00 C ATOM 444 C ILE A 27 -16.035 -2.752 -9.532 1.00 0.00 C ATOM 445 O ILE A 27 -17.157 -3.161 -9.742 1.00 0.00 O ATOM 446 CB ILE A 27 -15.095 -3.034 -7.253 1.00 0.00 C ATOM 447 CG1 ILE A 27 -13.992 -3.644 -6.367 1.00 0.00 C ATOM 448 CG2 ILE A 27 -16.460 -3.364 -6.649 1.00 0.00 C ATOM 449 CD1 ILE A 27 -13.939 -5.163 -6.525 1.00 0.00 C ATOM 0 H ILE A 27 -12.998 -2.987 -8.452 1.00 0.00 H new ATOM 0 HA ILE A 27 -15.290 -4.615 -8.786 1.00 0.00 H new ATOM 0 HB ILE A 27 -14.936 -1.956 -7.287 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -13.027 -3.213 -6.634 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.177 -3.390 -5.323 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -16.503 -2.995 -5.624 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -17.244 -2.889 -7.239 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.608 -4.444 -6.652 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -13.152 -5.568 -5.889 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -14.898 -5.593 -6.234 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.730 -5.414 -7.565 1.00 0.00 H new ATOM 461 N LYS A 28 -15.639 -1.584 -9.952 1.00 0.00 N ATOM 462 CA LYS A 28 -16.577 -0.701 -10.714 1.00 0.00 C ATOM 463 C LYS A 28 -16.827 -1.273 -12.113 1.00 0.00 C ATOM 464 O LYS A 28 -17.930 -1.213 -12.625 1.00 0.00 O ATOM 465 CB LYS A 28 -15.934 0.708 -10.822 1.00 0.00 C ATOM 466 CG LYS A 28 -15.056 1.097 -9.609 1.00 0.00 C ATOM 467 CD LYS A 28 -15.713 0.760 -8.260 1.00 0.00 C ATOM 468 CE LYS A 28 -17.093 1.420 -8.169 1.00 0.00 C ATOM 469 NZ LYS A 28 -16.812 2.870 -7.978 1.00 0.00 N ATOM 0 H LYS A 28 -14.707 -1.198 -9.803 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.535 -0.640 -10.197 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.325 0.749 -11.725 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.725 1.449 -10.936 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.099 0.581 -9.680 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.845 2.166 -9.648 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.810 -0.320 -8.153 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.081 1.106 -7.442 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.675 1.246 -9.074 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -17.670 1.016 -7.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.666 3.345 -7.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.041 2.986 -7.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.533 3.292 -8.887 1.00 0.00 H new ATOM 483 N SER A 29 -15.814 -1.817 -12.736 1.00 0.00 N ATOM 484 CA SER A 29 -15.990 -2.386 -14.111 1.00 0.00 C ATOM 485 C SER A 29 -17.036 -3.507 -14.107 1.00 0.00 C ATOM 486 O SER A 29 -17.626 -3.812 -15.126 1.00 0.00 O ATOM 487 CB SER A 29 -14.617 -2.941 -14.495 1.00 0.00 C ATOM 488 OG SER A 29 -14.646 -3.361 -15.853 1.00 0.00 O ATOM 0 H SER A 29 -14.871 -1.893 -12.354 1.00 0.00 H new ATOM 0 HA SER A 29 -16.341 -1.633 -14.817 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.851 -2.179 -14.354 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.356 -3.779 -13.848 1.00 0.00 H new ATOM 0 HG SER A 29 -13.768 -3.716 -16.104 1.00 0.00 H new ATOM 494 N GLU A 30 -17.261 -4.126 -12.975 1.00 0.00 N ATOM 495 CA GLU A 30 -18.261 -5.236 -12.910 1.00 0.00 C ATOM 496 C GLU A 30 -19.417 -4.884 -11.964 1.00 0.00 C ATOM 497 O GLU A 30 -20.489 -5.452 -12.053 1.00 0.00 O ATOM 498 CB GLU A 30 -17.476 -6.437 -12.375 1.00 0.00 C ATOM 499 CG GLU A 30 -17.141 -7.390 -13.526 1.00 0.00 C ATOM 500 CD GLU A 30 -18.379 -8.216 -13.881 1.00 0.00 C ATOM 501 OE1 GLU A 30 -18.656 -9.167 -13.170 1.00 0.00 O ATOM 502 OE2 GLU A 30 -19.029 -7.882 -14.858 1.00 0.00 O ATOM 0 H GLU A 30 -16.796 -3.911 -12.093 1.00 0.00 H new ATOM 0 HA GLU A 30 -18.712 -5.433 -13.882 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -16.559 -6.098 -11.892 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -18.062 -6.958 -11.618 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.807 -6.824 -14.395 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.321 -8.049 -13.240 1.00 0.00 H new ATOM 509 N HIS A 31 -19.210 -3.958 -11.063 1.00 0.00 N ATOM 510 CA HIS A 31 -20.301 -3.574 -10.115 1.00 0.00 C ATOM 511 C HIS A 31 -20.601 -2.074 -10.248 1.00 0.00 C ATOM 512 O HIS A 31 -19.926 -1.260 -9.651 1.00 0.00 O ATOM 513 CB HIS A 31 -19.777 -3.887 -8.707 1.00 0.00 C ATOM 514 CG HIS A 31 -19.284 -5.308 -8.630 1.00 0.00 C ATOM 515 ND1 HIS A 31 -17.946 -5.631 -8.787 1.00 0.00 N ATOM 516 CD2 HIS A 31 -19.934 -6.497 -8.411 1.00 0.00 C ATOM 517 CE1 HIS A 31 -17.833 -6.964 -8.664 1.00 0.00 C ATOM 518 NE2 HIS A 31 -19.016 -7.543 -8.433 1.00 0.00 N ATOM 0 H HIS A 31 -18.333 -3.451 -10.942 1.00 0.00 H new ATOM 0 HA HIS A 31 -21.223 -4.117 -10.322 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.969 -3.201 -8.453 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -20.569 -3.731 -7.975 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -17.185 -4.976 -8.964 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -20.996 -6.605 -8.247 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -16.900 -7.503 -8.742 1.00 0.00 H new ATOM 526 N PRO A 32 -21.607 -1.747 -11.030 1.00 0.00 N ATOM 527 CA PRO A 32 -21.971 -0.323 -11.222 1.00 0.00 C ATOM 528 C PRO A 32 -22.698 0.213 -9.990 1.00 0.00 C ATOM 529 O PRO A 32 -22.637 1.389 -9.684 1.00 0.00 O ATOM 530 CB PRO A 32 -22.898 -0.347 -12.432 1.00 0.00 C ATOM 531 CG PRO A 32 -23.471 -1.729 -12.470 1.00 0.00 C ATOM 532 CD PRO A 32 -22.488 -2.647 -11.793 1.00 0.00 C ATOM 0 HA PRO A 32 -21.105 0.323 -11.369 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -23.685 0.402 -12.338 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -22.352 -0.123 -13.349 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -24.435 -1.758 -11.962 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -23.643 -2.044 -13.499 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -22.994 -3.356 -11.138 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -21.924 -3.231 -12.521 1.00 0.00 H new ATOM 540 N GLY A 33 -23.385 -0.644 -9.283 1.00 0.00 N ATOM 541 CA GLY A 33 -24.122 -0.203 -8.068 1.00 0.00 C ATOM 542 C GLY A 33 -23.184 -0.174 -6.850 1.00 0.00 C ATOM 543 O GLY A 33 -23.522 0.378 -5.823 1.00 0.00 O ATOM 0 H GLY A 33 -23.466 -1.638 -9.499 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -24.545 0.788 -8.232 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -24.956 -0.878 -7.876 1.00 0.00 H new ATOM 547 N LEU A 34 -22.018 -0.775 -6.952 1.00 0.00 N ATOM 548 CA LEU A 34 -21.062 -0.791 -5.794 1.00 0.00 C ATOM 549 C LEU A 34 -20.651 0.637 -5.403 1.00 0.00 C ATOM 550 O LEU A 34 -19.612 1.124 -5.806 1.00 0.00 O ATOM 551 CB LEU A 34 -19.839 -1.586 -6.291 1.00 0.00 C ATOM 552 CG LEU A 34 -19.671 -2.886 -5.484 1.00 0.00 C ATOM 553 CD1 LEU A 34 -19.334 -2.545 -4.032 1.00 0.00 C ATOM 554 CD2 LEU A 34 -20.966 -3.717 -5.533 1.00 0.00 C ATOM 0 H LEU A 34 -21.687 -1.256 -7.789 1.00 0.00 H new ATOM 0 HA LEU A 34 -21.511 -1.239 -4.907 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -19.957 -1.821 -7.349 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -18.940 -0.976 -6.199 1.00 0.00 H new ATOM 0 HG LEU A 34 -18.862 -3.471 -5.920 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -19.215 -3.465 -3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.406 -1.974 -3.998 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -20.141 -1.952 -3.601 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -20.832 -4.633 -4.958 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -21.786 -3.138 -5.108 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -21.198 -3.969 -6.568 1.00 0.00 H new ATOM 566 N SER A 35 -21.462 1.305 -4.622 1.00 0.00 N ATOM 567 CA SER A 35 -21.125 2.700 -4.199 1.00 0.00 C ATOM 568 C SER A 35 -20.029 2.667 -3.132 1.00 0.00 C ATOM 569 O SER A 35 -19.672 1.616 -2.637 1.00 0.00 O ATOM 570 CB SER A 35 -22.423 3.267 -3.620 1.00 0.00 C ATOM 571 OG SER A 35 -22.172 4.562 -3.089 1.00 0.00 O ATOM 0 H SER A 35 -22.344 0.945 -4.258 1.00 0.00 H new ATOM 0 HA SER A 35 -20.753 3.307 -5.024 1.00 0.00 H new ATOM 0 HB2 SER A 35 -23.188 3.321 -4.395 1.00 0.00 H new ATOM 0 HB3 SER A 35 -22.805 2.609 -2.840 1.00 0.00 H new ATOM 0 HG SER A 35 -23.001 4.930 -2.718 1.00 0.00 H new ATOM 577 N ILE A 36 -19.491 3.810 -2.769 1.00 0.00 N ATOM 578 CA ILE A 36 -18.409 3.842 -1.727 1.00 0.00 C ATOM 579 C ILE A 36 -18.857 3.086 -0.468 1.00 0.00 C ATOM 580 O ILE A 36 -18.044 2.554 0.266 1.00 0.00 O ATOM 581 CB ILE A 36 -18.179 5.329 -1.414 1.00 0.00 C ATOM 582 CG1 ILE A 36 -17.647 6.054 -2.663 1.00 0.00 C ATOM 583 CG2 ILE A 36 -17.163 5.467 -0.271 1.00 0.00 C ATOM 584 CD1 ILE A 36 -16.324 5.427 -3.122 1.00 0.00 C ATOM 0 H ILE A 36 -19.753 4.720 -3.148 1.00 0.00 H new ATOM 0 HA ILE A 36 -17.495 3.361 -2.077 1.00 0.00 H new ATOM 0 HB ILE A 36 -19.126 5.778 -1.115 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -18.382 5.996 -3.466 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.499 7.111 -2.442 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -17.003 6.523 -0.052 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -17.546 4.966 0.618 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -16.218 5.010 -0.567 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -15.961 5.951 -4.006 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -15.587 5.508 -2.323 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -16.484 4.376 -3.363 1.00 0.00 H new ATOM 596 N GLY A 37 -20.140 3.036 -0.222 1.00 0.00 N ATOM 597 CA GLY A 37 -20.645 2.314 0.981 1.00 0.00 C ATOM 598 C GLY A 37 -20.256 0.839 0.883 1.00 0.00 C ATOM 599 O GLY A 37 -19.389 0.371 1.592 1.00 0.00 O ATOM 0 H GLY A 37 -20.860 3.465 -0.803 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -20.226 2.753 1.886 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -21.728 2.413 1.051 1.00 0.00 H new ATOM 603 N ASP A 38 -20.885 0.111 -0.002 1.00 0.00 N ATOM 604 CA ASP A 38 -20.554 -1.338 -0.160 1.00 0.00 C ATOM 605 C ASP A 38 -19.139 -1.514 -0.722 1.00 0.00 C ATOM 606 O ASP A 38 -18.500 -2.515 -0.485 1.00 0.00 O ATOM 607 CB ASP A 38 -21.592 -1.882 -1.145 1.00 0.00 C ATOM 608 CG ASP A 38 -21.633 -3.409 -1.053 1.00 0.00 C ATOM 609 OD1 ASP A 38 -20.610 -4.025 -1.306 1.00 0.00 O ATOM 610 OD2 ASP A 38 -22.686 -3.935 -0.734 1.00 0.00 O ATOM 0 H ASP A 38 -21.615 0.457 -0.624 1.00 0.00 H new ATOM 0 HA ASP A 38 -20.579 -1.865 0.794 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -22.575 -1.467 -0.920 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -21.341 -1.575 -2.160 1.00 0.00 H new ATOM 615 N THR A 39 -18.643 -0.542 -1.446 1.00 0.00 N ATOM 616 CA THR A 39 -17.261 -0.656 -2.013 1.00 0.00 C ATOM 617 C THR A 39 -16.227 -0.605 -0.883 1.00 0.00 C ATOM 618 O THR A 39 -15.156 -1.176 -0.987 1.00 0.00 O ATOM 619 CB THR A 39 -17.107 0.541 -2.961 1.00 0.00 C ATOM 620 OG1 THR A 39 -18.033 0.408 -4.030 1.00 0.00 O ATOM 621 CG2 THR A 39 -15.685 0.584 -3.531 1.00 0.00 C ATOM 0 H THR A 39 -19.133 0.324 -1.669 1.00 0.00 H new ATOM 0 HA THR A 39 -17.105 -1.597 -2.540 1.00 0.00 H new ATOM 0 HB THR A 39 -17.298 1.461 -2.409 1.00 0.00 H new ATOM 0 HG1 THR A 39 -18.947 0.460 -3.680 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.588 1.437 -4.202 1.00 0.00 H new ATOM 0 HG22 THR A 39 -14.969 0.681 -2.715 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.486 -0.335 -4.082 1.00 0.00 H new ATOM 629 N ALA A 40 -16.543 0.066 0.195 1.00 0.00 N ATOM 630 CA ALA A 40 -15.583 0.146 1.336 1.00 0.00 C ATOM 631 C ALA A 40 -15.559 -1.186 2.085 1.00 0.00 C ATOM 632 O ALA A 40 -14.509 -1.719 2.393 1.00 0.00 O ATOM 633 CB ALA A 40 -16.117 1.262 2.236 1.00 0.00 C ATOM 0 H ALA A 40 -17.424 0.561 0.334 1.00 0.00 H new ATOM 0 HA ALA A 40 -14.564 0.350 1.008 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.461 1.379 3.098 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.150 2.196 1.676 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -17.121 1.007 2.576 1.00 0.00 H new ATOM 639 N LYS A 41 -16.715 -1.725 2.383 1.00 0.00 N ATOM 640 CA LYS A 41 -16.776 -3.023 3.120 1.00 0.00 C ATOM 641 C LYS A 41 -16.578 -4.218 2.169 1.00 0.00 C ATOM 642 O LYS A 41 -16.325 -5.323 2.611 1.00 0.00 O ATOM 643 CB LYS A 41 -18.165 -3.060 3.775 1.00 0.00 C ATOM 644 CG LYS A 41 -19.269 -3.100 2.710 1.00 0.00 C ATOM 645 CD LYS A 41 -20.573 -2.548 3.298 1.00 0.00 C ATOM 646 CE LYS A 41 -20.398 -1.069 3.678 1.00 0.00 C ATOM 647 NZ LYS A 41 -20.724 -0.999 5.130 1.00 0.00 N ATOM 0 H LYS A 41 -17.621 -1.320 2.147 1.00 0.00 H new ATOM 0 HA LYS A 41 -15.980 -3.098 3.861 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -18.244 -3.935 4.421 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -18.297 -2.183 4.409 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -18.972 -2.511 1.842 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -19.418 -4.123 2.365 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -21.380 -2.652 2.573 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -20.858 -3.126 4.177 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -19.380 -0.731 3.486 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -21.061 -0.431 3.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -20.626 -0.018 5.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -21.701 -1.320 5.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -20.072 -1.610 5.662 1.00 0.00 H new ATOM 661 N LYS A 42 -16.682 -4.012 0.874 1.00 0.00 N ATOM 662 CA LYS A 42 -16.489 -5.148 -0.082 1.00 0.00 C ATOM 663 C LYS A 42 -14.996 -5.463 -0.216 1.00 0.00 C ATOM 664 O LYS A 42 -14.562 -6.567 0.047 1.00 0.00 O ATOM 665 CB LYS A 42 -17.071 -4.660 -1.420 1.00 0.00 C ATOM 666 CG LYS A 42 -16.868 -5.718 -2.514 1.00 0.00 C ATOM 667 CD LYS A 42 -17.555 -7.028 -2.109 1.00 0.00 C ATOM 668 CE LYS A 42 -18.211 -7.667 -3.336 1.00 0.00 C ATOM 669 NZ LYS A 42 -17.912 -9.121 -3.219 1.00 0.00 N ATOM 0 H LYS A 42 -16.891 -3.112 0.442 1.00 0.00 H new ATOM 0 HA LYS A 42 -16.980 -6.062 0.253 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -18.134 -4.447 -1.305 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -16.589 -3.728 -1.714 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.277 -5.360 -3.459 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -15.803 -5.890 -2.673 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -16.826 -7.713 -1.676 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -18.306 -6.835 -1.343 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -19.286 -7.485 -3.349 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -17.806 -7.254 -4.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.330 -9.627 -4.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.882 -9.264 -3.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -18.315 -9.488 -2.333 1.00 0.00 H new ATOM 683 N LEU A 43 -14.209 -4.498 -0.634 1.00 0.00 N ATOM 684 CA LEU A 43 -12.732 -4.724 -0.800 1.00 0.00 C ATOM 685 C LEU A 43 -12.129 -5.402 0.439 1.00 0.00 C ATOM 686 O LEU A 43 -11.138 -6.102 0.352 1.00 0.00 O ATOM 687 CB LEU A 43 -12.135 -3.327 -0.980 1.00 0.00 C ATOM 688 CG LEU A 43 -12.556 -2.762 -2.338 1.00 0.00 C ATOM 689 CD1 LEU A 43 -12.360 -1.245 -2.342 1.00 0.00 C ATOM 690 CD2 LEU A 43 -11.697 -3.389 -3.437 1.00 0.00 C ATOM 0 H LEU A 43 -14.527 -3.558 -0.869 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.521 -5.381 -1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.474 -2.669 -0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.048 -3.374 -0.915 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.606 -2.993 -2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.660 -0.842 -3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -12.970 -0.797 -1.557 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.310 -1.013 -2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.995 -2.988 -4.406 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.648 -3.157 -3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.835 -4.470 -3.434 1.00 0.00 H new ATOM 702 N GLY A 44 -12.729 -5.204 1.587 1.00 0.00 N ATOM 703 CA GLY A 44 -12.202 -5.840 2.831 1.00 0.00 C ATOM 704 C GLY A 44 -12.307 -7.361 2.701 1.00 0.00 C ATOM 705 O GLY A 44 -11.432 -8.092 3.126 1.00 0.00 O ATOM 0 H GLY A 44 -13.562 -4.629 1.715 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.164 -5.547 2.992 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.768 -5.497 3.697 1.00 0.00 H new ATOM 709 N GLU A 45 -13.376 -7.841 2.115 1.00 0.00 N ATOM 710 CA GLU A 45 -13.562 -9.322 1.947 1.00 0.00 C ATOM 711 C GLU A 45 -12.327 -9.957 1.295 1.00 0.00 C ATOM 712 O GLU A 45 -11.907 -11.037 1.664 1.00 0.00 O ATOM 713 CB GLU A 45 -14.774 -9.468 1.027 1.00 0.00 C ATOM 714 CG GLU A 45 -15.482 -10.794 1.318 1.00 0.00 C ATOM 715 CD GLU A 45 -16.266 -10.677 2.626 1.00 0.00 C ATOM 716 OE1 GLU A 45 -15.664 -10.856 3.672 1.00 0.00 O ATOM 717 OE2 GLU A 45 -17.455 -10.412 2.560 1.00 0.00 O ATOM 0 H GLU A 45 -14.134 -7.269 1.742 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.704 -9.821 2.905 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.461 -8.636 1.179 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.458 -9.434 -0.016 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.156 -11.046 0.499 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.752 -11.600 1.390 1.00 0.00 H new ATOM 724 N MET A 46 -11.743 -9.285 0.335 1.00 0.00 N ATOM 725 CA MET A 46 -10.528 -9.838 -0.340 1.00 0.00 C ATOM 726 C MET A 46 -9.330 -9.741 0.605 1.00 0.00 C ATOM 727 O MET A 46 -8.565 -10.675 0.755 1.00 0.00 O ATOM 728 CB MET A 46 -10.315 -8.958 -1.572 1.00 0.00 C ATOM 729 CG MET A 46 -11.380 -9.280 -2.621 1.00 0.00 C ATOM 730 SD MET A 46 -10.961 -10.835 -3.447 1.00 0.00 S ATOM 731 CE MET A 46 -11.362 -10.312 -5.132 1.00 0.00 C ATOM 0 H MET A 46 -12.055 -8.377 -0.011 1.00 0.00 H new ATOM 0 HA MET A 46 -10.643 -10.887 -0.614 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.370 -7.906 -1.294 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.320 -9.127 -1.985 1.00 0.00 H new ATOM 0 HG2 MET A 46 -12.359 -9.359 -2.149 1.00 0.00 H new ATOM 0 HG3 MET A 46 -11.442 -8.473 -3.351 1.00 0.00 H new ATOM 0 HE1 MET A 46 -11.174 -11.134 -5.823 1.00 0.00 H new ATOM 0 HE2 MET A 46 -12.413 -10.027 -5.184 1.00 0.00 H new ATOM 0 HE3 MET A 46 -10.741 -9.459 -5.406 1.00 0.00 H new ATOM 741 N TRP A 47 -9.164 -8.607 1.240 1.00 0.00 N ATOM 742 CA TRP A 47 -8.014 -8.422 2.185 1.00 0.00 C ATOM 743 C TRP A 47 -7.966 -9.560 3.213 1.00 0.00 C ATOM 744 O TRP A 47 -6.978 -10.261 3.325 1.00 0.00 O ATOM 745 CB TRP A 47 -8.282 -7.088 2.883 1.00 0.00 C ATOM 746 CG TRP A 47 -7.074 -6.687 3.668 1.00 0.00 C ATOM 747 CD1 TRP A 47 -7.046 -6.499 5.007 1.00 0.00 C ATOM 748 CD2 TRP A 47 -5.724 -6.423 3.188 1.00 0.00 C ATOM 749 NE1 TRP A 47 -5.765 -6.135 5.380 1.00 0.00 N ATOM 750 CE2 TRP A 47 -4.914 -6.075 4.295 1.00 0.00 C ATOM 751 CE3 TRP A 47 -5.131 -6.451 1.914 1.00 0.00 C ATOM 752 CZ2 TRP A 47 -3.561 -5.766 4.142 1.00 0.00 C ATOM 753 CZ3 TRP A 47 -3.770 -6.140 1.757 1.00 0.00 C ATOM 754 CH2 TRP A 47 -2.988 -5.798 2.869 1.00 0.00 C ATOM 0 H TRP A 47 -9.777 -7.797 1.145 1.00 0.00 H new ATOM 0 HA TRP A 47 -7.057 -8.430 1.663 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.522 -6.321 2.146 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -9.145 -7.177 3.543 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -7.886 -6.614 5.676 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.483 -5.935 6.340 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.725 -6.713 1.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -2.962 -5.504 5.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.324 -6.165 0.774 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -1.942 -5.559 2.741 1.00 0.00 H new ATOM 765 N SER A 48 -9.023 -9.742 3.967 1.00 0.00 N ATOM 766 CA SER A 48 -9.038 -10.831 4.996 1.00 0.00 C ATOM 767 C SER A 48 -8.826 -12.193 4.331 1.00 0.00 C ATOM 768 O SER A 48 -8.240 -13.090 4.906 1.00 0.00 O ATOM 769 CB SER A 48 -10.423 -10.760 5.639 1.00 0.00 C ATOM 770 OG SER A 48 -10.429 -11.543 6.826 1.00 0.00 O ATOM 0 H SER A 48 -9.876 -9.185 3.915 1.00 0.00 H new ATOM 0 HA SER A 48 -8.243 -10.709 5.731 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.677 -9.726 5.870 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.179 -11.126 4.944 1.00 0.00 H new ATOM 0 HG SER A 48 -11.315 -11.499 7.242 1.00 0.00 H new ATOM 776 N GLU A 49 -9.302 -12.350 3.122 1.00 0.00 N ATOM 777 CA GLU A 49 -9.131 -13.653 2.409 1.00 0.00 C ATOM 778 C GLU A 49 -7.643 -13.927 2.171 1.00 0.00 C ATOM 779 O GLU A 49 -7.174 -15.037 2.342 1.00 0.00 O ATOM 780 CB GLU A 49 -9.867 -13.481 1.078 1.00 0.00 C ATOM 781 CG GLU A 49 -11.268 -14.088 1.183 1.00 0.00 C ATOM 782 CD GLU A 49 -11.879 -14.209 -0.214 1.00 0.00 C ATOM 783 OE1 GLU A 49 -12.477 -13.245 -0.663 1.00 0.00 O ATOM 784 OE2 GLU A 49 -11.739 -15.263 -0.812 1.00 0.00 O ATOM 0 H GLU A 49 -9.802 -11.632 2.597 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.524 -14.493 2.981 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.936 -12.423 0.823 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.309 -13.966 0.277 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.216 -15.069 1.655 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.900 -13.464 1.815 1.00 0.00 H new ATOM 791 N GLN A 50 -6.903 -12.922 1.777 1.00 0.00 N ATOM 792 CA GLN A 50 -5.441 -13.113 1.525 1.00 0.00 C ATOM 793 C GLN A 50 -4.719 -13.480 2.824 1.00 0.00 C ATOM 794 O GLN A 50 -5.164 -13.151 3.907 1.00 0.00 O ATOM 795 CB GLN A 50 -4.940 -11.766 1.001 1.00 0.00 C ATOM 796 CG GLN A 50 -5.568 -11.483 -0.366 1.00 0.00 C ATOM 797 CD GLN A 50 -4.812 -12.259 -1.446 1.00 0.00 C ATOM 798 OE1 GLN A 50 -3.605 -12.159 -1.549 1.00 0.00 O ATOM 799 NE2 GLN A 50 -5.474 -13.035 -2.260 1.00 0.00 N ATOM 0 H GLN A 50 -7.248 -11.975 1.618 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.254 -13.920 0.817 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.198 -10.973 1.702 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.853 -11.778 0.918 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.619 -11.774 -0.363 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.534 -10.415 -0.580 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.487 -13.119 -2.174 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.979 -13.557 -2.982 1.00 0.00 H new ATOM 808 N SER A 51 -3.603 -14.150 2.715 1.00 0.00 N ATOM 809 CA SER A 51 -2.829 -14.538 3.930 1.00 0.00 C ATOM 810 C SER A 51 -1.676 -13.547 4.135 1.00 0.00 C ATOM 811 O SER A 51 -1.777 -12.393 3.764 1.00 0.00 O ATOM 812 CB SER A 51 -2.305 -15.943 3.627 1.00 0.00 C ATOM 813 OG SER A 51 -1.298 -15.864 2.627 1.00 0.00 O ATOM 0 H SER A 51 -3.192 -14.447 1.830 1.00 0.00 H new ATOM 0 HA SER A 51 -3.426 -14.525 4.842 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.900 -16.395 4.532 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.120 -16.582 3.288 1.00 0.00 H new ATOM 0 HG SER A 51 -0.959 -16.763 2.432 1.00 0.00 H new ATOM 819 N ALA A 52 -0.581 -13.982 4.713 1.00 0.00 N ATOM 820 CA ALA A 52 0.571 -13.056 4.927 1.00 0.00 C ATOM 821 C ALA A 52 1.388 -12.922 3.636 1.00 0.00 C ATOM 822 O ALA A 52 2.574 -13.195 3.609 1.00 0.00 O ATOM 823 CB ALA A 52 1.407 -13.709 6.030 1.00 0.00 C ATOM 0 H ALA A 52 -0.438 -14.936 5.044 1.00 0.00 H new ATOM 0 HA ALA A 52 0.249 -12.052 5.204 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.275 -13.086 6.245 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.803 -13.813 6.931 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.739 -14.693 5.700 1.00 0.00 H new ATOM 829 N LYS A 53 0.759 -12.505 2.563 1.00 0.00 N ATOM 830 CA LYS A 53 1.489 -12.353 1.270 1.00 0.00 C ATOM 831 C LYS A 53 1.117 -11.023 0.605 1.00 0.00 C ATOM 832 O LYS A 53 1.963 -10.321 0.088 1.00 0.00 O ATOM 833 CB LYS A 53 1.019 -13.529 0.412 1.00 0.00 C ATOM 834 CG LYS A 53 2.169 -14.005 -0.477 1.00 0.00 C ATOM 835 CD LYS A 53 1.767 -15.306 -1.176 1.00 0.00 C ATOM 836 CE LYS A 53 2.662 -15.529 -2.397 1.00 0.00 C ATOM 837 NZ LYS A 53 2.473 -16.962 -2.755 1.00 0.00 N ATOM 0 H LYS A 53 -0.231 -12.263 2.530 1.00 0.00 H new ATOM 0 HA LYS A 53 2.571 -12.350 1.404 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.677 -14.344 1.050 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.171 -13.228 -0.203 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.411 -13.242 -1.217 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.065 -14.164 0.123 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.859 -16.145 -0.486 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.722 -15.259 -1.482 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.376 -14.875 -3.221 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.705 -15.314 -2.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.056 -17.192 -3.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.759 -17.561 -1.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.472 -17.135 -2.976 1.00 0.00 H new ATOM 851 N ASP A 54 -0.145 -10.681 0.609 1.00 0.00 N ATOM 852 CA ASP A 54 -0.582 -9.400 -0.028 1.00 0.00 C ATOM 853 C ASP A 54 0.038 -8.201 0.695 1.00 0.00 C ATOM 854 O ASP A 54 0.306 -7.180 0.090 1.00 0.00 O ATOM 855 CB ASP A 54 -2.105 -9.378 0.112 1.00 0.00 C ATOM 856 CG ASP A 54 -2.714 -8.579 -1.042 1.00 0.00 C ATOM 857 OD1 ASP A 54 -2.260 -8.753 -2.160 1.00 0.00 O ATOM 858 OD2 ASP A 54 -3.624 -7.808 -0.787 1.00 0.00 O ATOM 0 H ASP A 54 -0.894 -11.233 1.026 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.268 -9.338 -1.070 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.495 -10.396 0.109 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.386 -8.931 1.066 1.00 0.00 H new ATOM 863 N LYS A 55 0.253 -8.306 1.984 1.00 0.00 N ATOM 864 CA LYS A 55 0.840 -7.160 2.743 1.00 0.00 C ATOM 865 C LYS A 55 2.369 -7.257 2.805 1.00 0.00 C ATOM 866 O LYS A 55 2.987 -6.702 3.690 1.00 0.00 O ATOM 867 CB LYS A 55 0.243 -7.267 4.147 1.00 0.00 C ATOM 868 CG LYS A 55 0.575 -6.005 4.948 1.00 0.00 C ATOM 869 CD LYS A 55 -0.378 -5.893 6.139 1.00 0.00 C ATOM 870 CE LYS A 55 0.201 -6.659 7.329 1.00 0.00 C ATOM 871 NZ LYS A 55 -0.821 -6.528 8.406 1.00 0.00 N ATOM 0 H LYS A 55 0.047 -9.135 2.542 1.00 0.00 H new ATOM 0 HA LYS A 55 0.613 -6.207 2.266 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.838 -7.395 4.084 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.639 -8.146 4.655 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.607 -6.043 5.297 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.486 -5.124 4.313 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.525 -4.846 6.404 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.356 -6.295 5.875 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.377 -7.705 7.077 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.158 -6.240 7.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.495 -7.029 9.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.963 -5.522 8.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.719 -6.941 8.084 1.00 0.00 H new ATOM 885 N GLN A 56 2.986 -7.960 1.886 1.00 0.00 N ATOM 886 CA GLN A 56 4.478 -8.073 1.918 1.00 0.00 C ATOM 887 C GLN A 56 5.127 -7.047 0.965 1.00 0.00 C ATOM 888 O GLN A 56 5.890 -6.216 1.411 1.00 0.00 O ATOM 889 CB GLN A 56 4.800 -9.509 1.494 1.00 0.00 C ATOM 890 CG GLN A 56 5.076 -10.364 2.732 1.00 0.00 C ATOM 891 CD GLN A 56 6.474 -10.050 3.269 1.00 0.00 C ATOM 892 OE1 GLN A 56 7.462 -10.313 2.614 1.00 0.00 O ATOM 893 NE2 GLN A 56 6.599 -9.491 4.442 1.00 0.00 N ATOM 0 H GLN A 56 2.526 -8.456 1.122 1.00 0.00 H new ATOM 0 HA GLN A 56 4.875 -7.859 2.910 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.966 -9.927 0.930 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.667 -9.517 0.834 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.327 -10.165 3.499 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.001 -11.422 2.480 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.769 -9.270 4.993 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.526 -9.275 4.808 1.00 0.00 H new ATOM 902 N PRO A 57 4.818 -7.122 -0.318 1.00 0.00 N ATOM 903 CA PRO A 57 5.412 -6.159 -1.281 1.00 0.00 C ATOM 904 C PRO A 57 4.663 -4.819 -1.248 1.00 0.00 C ATOM 905 O PRO A 57 5.228 -3.777 -1.520 1.00 0.00 O ATOM 906 CB PRO A 57 5.212 -6.831 -2.632 1.00 0.00 C ATOM 907 CG PRO A 57 4.027 -7.722 -2.453 1.00 0.00 C ATOM 908 CD PRO A 57 3.926 -8.079 -0.992 1.00 0.00 C ATOM 0 HA PRO A 57 6.456 -5.937 -1.058 1.00 0.00 H new ATOM 0 HB2 PRO A 57 5.036 -6.095 -3.416 1.00 0.00 H new ATOM 0 HB3 PRO A 57 6.094 -7.402 -2.923 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.119 -7.219 -2.786 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.133 -8.622 -3.058 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.901 -7.989 -0.631 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.238 -9.108 -0.812 1.00 0.00 H new ATOM 916 N TYR A 58 3.390 -4.848 -0.948 1.00 0.00 N ATOM 917 CA TYR A 58 2.586 -3.584 -0.927 1.00 0.00 C ATOM 918 C TYR A 58 2.746 -2.821 0.399 1.00 0.00 C ATOM 919 O TYR A 58 2.282 -1.703 0.525 1.00 0.00 O ATOM 920 CB TYR A 58 1.137 -4.046 -1.106 1.00 0.00 C ATOM 921 CG TYR A 58 0.730 -3.905 -2.555 1.00 0.00 C ATOM 922 CD1 TYR A 58 1.195 -4.823 -3.504 1.00 0.00 C ATOM 923 CD2 TYR A 58 -0.110 -2.857 -2.949 1.00 0.00 C ATOM 924 CE1 TYR A 58 0.819 -4.694 -4.846 1.00 0.00 C ATOM 925 CE2 TYR A 58 -0.486 -2.727 -4.291 1.00 0.00 C ATOM 926 CZ TYR A 58 -0.022 -3.646 -5.239 1.00 0.00 C ATOM 927 OH TYR A 58 -0.393 -3.519 -6.563 1.00 0.00 O ATOM 0 H TYR A 58 2.869 -5.694 -0.716 1.00 0.00 H new ATOM 0 HA TYR A 58 2.911 -2.893 -1.705 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.035 -5.084 -0.789 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.476 -3.453 -0.474 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.844 -5.631 -3.201 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.468 -2.148 -2.217 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.177 -5.403 -5.578 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.134 -1.918 -4.595 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.979 -2.740 -6.665 1.00 0.00 H new ATOM 937 N GLU A 59 3.379 -3.407 1.387 1.00 0.00 N ATOM 938 CA GLU A 59 3.539 -2.697 2.697 1.00 0.00 C ATOM 939 C GLU A 59 4.757 -1.761 2.674 1.00 0.00 C ATOM 940 O GLU A 59 4.812 -0.791 3.408 1.00 0.00 O ATOM 941 CB GLU A 59 3.708 -3.814 3.737 1.00 0.00 C ATOM 942 CG GLU A 59 5.045 -4.544 3.529 1.00 0.00 C ATOM 943 CD GLU A 59 6.075 -4.026 4.537 1.00 0.00 C ATOM 944 OE1 GLU A 59 6.026 -2.848 4.852 1.00 0.00 O ATOM 945 OE2 GLU A 59 6.893 -4.817 4.976 1.00 0.00 O ATOM 0 H GLU A 59 3.789 -4.340 1.345 1.00 0.00 H new ATOM 0 HA GLU A 59 2.684 -2.061 2.925 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.669 -3.393 4.742 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.883 -4.522 3.656 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.908 -5.618 3.653 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.404 -4.384 2.512 1.00 0.00 H new ATOM 952 N GLN A 60 5.728 -2.045 1.843 1.00 0.00 N ATOM 953 CA GLN A 60 6.943 -1.171 1.777 1.00 0.00 C ATOM 954 C GLN A 60 6.661 0.092 0.954 1.00 0.00 C ATOM 955 O GLN A 60 7.337 1.094 1.095 1.00 0.00 O ATOM 956 CB GLN A 60 8.031 -2.024 1.113 1.00 0.00 C ATOM 957 CG GLN A 60 7.570 -2.481 -0.272 1.00 0.00 C ATOM 958 CD GLN A 60 8.791 -2.825 -1.128 1.00 0.00 C ATOM 959 OE1 GLN A 60 9.202 -2.044 -1.963 1.00 0.00 O ATOM 960 NE2 GLN A 60 9.391 -3.970 -0.957 1.00 0.00 N ATOM 0 H GLN A 60 5.734 -2.843 1.207 1.00 0.00 H new ATOM 0 HA GLN A 60 7.248 -0.833 2.767 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.953 -1.448 1.026 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.254 -2.891 1.735 1.00 0.00 H new ATOM 0 HG2 GLN A 60 6.919 -3.351 -0.182 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.987 -1.694 -0.751 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.047 -4.626 -0.256 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.205 -4.209 -1.524 1.00 0.00 H new ATOM 969 N LYS A 61 5.668 0.054 0.098 1.00 0.00 N ATOM 970 CA LYS A 61 5.340 1.256 -0.732 1.00 0.00 C ATOM 971 C LYS A 61 4.842 2.389 0.168 1.00 0.00 C ATOM 972 O LYS A 61 5.241 3.529 0.016 1.00 0.00 O ATOM 973 CB LYS A 61 4.244 0.782 -1.700 1.00 0.00 C ATOM 974 CG LYS A 61 3.687 1.965 -2.500 1.00 0.00 C ATOM 975 CD LYS A 61 2.794 1.446 -3.629 1.00 0.00 C ATOM 976 CE LYS A 61 2.792 2.452 -4.781 1.00 0.00 C ATOM 977 NZ LYS A 61 1.760 1.948 -5.729 1.00 0.00 N ATOM 0 H LYS A 61 5.071 -0.757 -0.062 1.00 0.00 H new ATOM 0 HA LYS A 61 6.203 1.646 -1.272 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.650 0.034 -2.381 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.440 0.302 -1.142 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.117 2.624 -1.845 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.505 2.556 -2.912 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.156 0.479 -3.978 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.779 1.294 -3.263 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.549 3.455 -4.429 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.771 2.510 -5.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.699 2.586 -6.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.021 0.995 -6.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.838 1.911 -5.250 1.00 0.00 H new ATOM 991 N ALA A 62 3.985 2.084 1.107 1.00 0.00 N ATOM 992 CA ALA A 62 3.474 3.145 2.024 1.00 0.00 C ATOM 993 C ALA A 62 4.504 3.435 3.121 1.00 0.00 C ATOM 994 O ALA A 62 4.425 4.444 3.797 1.00 0.00 O ATOM 995 CB ALA A 62 2.190 2.574 2.625 1.00 0.00 C ATOM 0 H ALA A 62 3.618 1.148 1.278 1.00 0.00 H new ATOM 0 HA ALA A 62 3.291 4.085 1.504 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.756 3.300 3.312 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.479 2.359 1.827 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.418 1.655 3.165 1.00 0.00 H new ATOM 1001 N ALA A 63 5.478 2.568 3.299 1.00 0.00 N ATOM 1002 CA ALA A 63 6.515 2.811 4.347 1.00 0.00 C ATOM 1003 C ALA A 63 7.240 4.124 4.050 1.00 0.00 C ATOM 1004 O ALA A 63 7.664 4.825 4.949 1.00 0.00 O ATOM 1005 CB ALA A 63 7.481 1.627 4.250 1.00 0.00 C ATOM 0 H ALA A 63 5.596 1.708 2.764 1.00 0.00 H new ATOM 0 HA ALA A 63 6.087 2.891 5.346 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.271 1.740 4.993 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.939 0.699 4.434 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.922 1.598 3.254 1.00 0.00 H new ATOM 1011 N LYS A 64 7.367 4.471 2.791 1.00 0.00 N ATOM 1012 CA LYS A 64 8.042 5.752 2.426 1.00 0.00 C ATOM 1013 C LYS A 64 7.102 6.920 2.748 1.00 0.00 C ATOM 1014 O LYS A 64 7.407 7.769 3.562 1.00 0.00 O ATOM 1015 CB LYS A 64 8.293 5.640 0.917 1.00 0.00 C ATOM 1016 CG LYS A 64 8.758 6.986 0.339 1.00 0.00 C ATOM 1017 CD LYS A 64 10.067 6.798 -0.432 1.00 0.00 C ATOM 1018 CE LYS A 64 9.790 6.031 -1.728 1.00 0.00 C ATOM 1019 NZ LYS A 64 10.929 6.371 -2.626 1.00 0.00 N ATOM 0 H LYS A 64 7.031 3.920 2.001 1.00 0.00 H new ATOM 0 HA LYS A 64 8.970 5.926 2.971 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.047 4.877 0.725 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.380 5.319 0.415 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.992 7.392 -0.322 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.900 7.707 1.144 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.511 7.768 -0.658 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.786 6.253 0.179 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.736 4.957 -1.548 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.838 6.329 -2.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.811 5.882 -3.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.951 7.399 -2.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.821 6.070 -2.184 1.00 0.00 H new ATOM 1033 N LEU A 65 5.966 6.964 2.091 1.00 0.00 N ATOM 1034 CA LEU A 65 4.972 8.073 2.313 1.00 0.00 C ATOM 1035 C LEU A 65 4.784 8.402 3.806 1.00 0.00 C ATOM 1036 O LEU A 65 4.430 9.514 4.154 1.00 0.00 O ATOM 1037 CB LEU A 65 3.662 7.551 1.718 1.00 0.00 C ATOM 1038 CG LEU A 65 3.704 7.667 0.184 1.00 0.00 C ATOM 1039 CD1 LEU A 65 3.791 6.272 -0.439 1.00 0.00 C ATOM 1040 CD2 LEU A 65 2.434 8.364 -0.316 1.00 0.00 C ATOM 0 H LEU A 65 5.679 6.271 1.400 1.00 0.00 H new ATOM 0 HA LEU A 65 5.312 8.999 1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.508 6.512 2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.820 8.121 2.112 1.00 0.00 H new ATOM 0 HG LEU A 65 4.579 8.250 -0.104 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.820 6.360 -1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.696 5.774 -0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.919 5.688 -0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.467 8.445 -1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.560 7.783 -0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.370 9.361 0.120 1.00 0.00 H new ATOM 1052 N LYS A 66 5.036 7.462 4.686 1.00 0.00 N ATOM 1053 CA LYS A 66 4.892 7.750 6.145 1.00 0.00 C ATOM 1054 C LYS A 66 5.926 8.799 6.554 1.00 0.00 C ATOM 1055 O LYS A 66 5.626 9.739 7.267 1.00 0.00 O ATOM 1056 CB LYS A 66 5.167 6.424 6.854 1.00 0.00 C ATOM 1057 CG LYS A 66 4.949 6.595 8.360 1.00 0.00 C ATOM 1058 CD LYS A 66 3.448 6.524 8.682 1.00 0.00 C ATOM 1059 CE LYS A 66 3.143 5.247 9.470 1.00 0.00 C ATOM 1060 NZ LYS A 66 3.383 4.135 8.510 1.00 0.00 N ATOM 0 H LYS A 66 5.333 6.514 4.457 1.00 0.00 H new ATOM 0 HA LYS A 66 3.905 8.137 6.399 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.507 5.648 6.466 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.189 6.100 6.658 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.484 5.817 8.904 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.356 7.551 8.689 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.150 7.398 9.260 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.868 6.539 7.759 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.788 5.159 10.344 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.114 5.242 9.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.931 3.268 8.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.980 4.383 7.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.406 3.977 8.411 1.00 0.00 H new ATOM 1074 N GLU A 67 7.142 8.643 6.095 1.00 0.00 N ATOM 1075 CA GLU A 67 8.213 9.628 6.439 1.00 0.00 C ATOM 1076 C GLU A 67 7.892 10.984 5.807 1.00 0.00 C ATOM 1077 O GLU A 67 7.788 11.985 6.488 1.00 0.00 O ATOM 1078 CB GLU A 67 9.500 9.050 5.847 1.00 0.00 C ATOM 1079 CG GLU A 67 10.000 7.905 6.727 1.00 0.00 C ATOM 1080 CD GLU A 67 11.335 7.389 6.186 1.00 0.00 C ATOM 1081 OE1 GLU A 67 11.310 6.501 5.351 1.00 0.00 O ATOM 1082 OE2 GLU A 67 12.361 7.892 6.616 1.00 0.00 O ATOM 0 H GLU A 67 7.440 7.874 5.495 1.00 0.00 H new ATOM 0 HA GLU A 67 8.302 9.785 7.514 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.317 8.691 4.834 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.261 9.827 5.777 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.120 8.248 7.755 1.00 0.00 H new ATOM 0 HG3 GLU A 67 9.267 7.099 6.744 1.00 0.00 H new ATOM 1089 N LYS A 68 7.736 11.024 4.503 1.00 0.00 N ATOM 1090 CA LYS A 68 7.423 12.318 3.809 1.00 0.00 C ATOM 1091 C LYS A 68 6.228 13.014 4.472 1.00 0.00 C ATOM 1092 O LYS A 68 6.150 14.227 4.506 1.00 0.00 O ATOM 1093 CB LYS A 68 7.080 11.927 2.369 1.00 0.00 C ATOM 1094 CG LYS A 68 8.344 11.981 1.511 1.00 0.00 C ATOM 1095 CD LYS A 68 9.128 10.676 1.673 1.00 0.00 C ATOM 1096 CE LYS A 68 10.300 10.659 0.691 1.00 0.00 C ATOM 1097 NZ LYS A 68 9.697 10.300 -0.622 1.00 0.00 N ATOM 0 H LYS A 68 7.812 10.214 3.887 1.00 0.00 H new ATOM 0 HA LYS A 68 8.259 13.016 3.857 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.654 10.924 2.345 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.326 12.603 1.967 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.080 12.131 0.464 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.962 12.828 1.808 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.495 10.585 2.695 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.475 9.822 1.491 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.792 11.631 0.647 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.055 9.932 0.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.431 9.909 -1.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.950 9.591 -0.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.288 11.150 -1.060 1.00 0.00 H new ATOM 1111 N TYR A 69 5.311 12.254 5.013 1.00 0.00 N ATOM 1112 CA TYR A 69 4.131 12.865 5.693 1.00 0.00 C ATOM 1113 C TYR A 69 4.568 13.410 7.057 1.00 0.00 C ATOM 1114 O TYR A 69 4.525 14.598 7.307 1.00 0.00 O ATOM 1115 CB TYR A 69 3.124 11.715 5.855 1.00 0.00 C ATOM 1116 CG TYR A 69 1.910 12.182 6.632 1.00 0.00 C ATOM 1117 CD1 TYR A 69 1.942 12.204 8.032 1.00 0.00 C ATOM 1118 CD2 TYR A 69 0.755 12.591 5.953 1.00 0.00 C ATOM 1119 CE1 TYR A 69 0.822 12.635 8.752 1.00 0.00 C ATOM 1120 CE2 TYR A 69 -0.365 13.021 6.675 1.00 0.00 C ATOM 1121 CZ TYR A 69 -0.332 13.043 8.073 1.00 0.00 C ATOM 1122 OH TYR A 69 -1.436 13.467 8.784 1.00 0.00 O ATOM 0 H TYR A 69 5.329 11.234 5.013 1.00 0.00 H new ATOM 0 HA TYR A 69 3.696 13.694 5.135 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.818 11.350 4.874 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.596 10.880 6.373 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.832 11.888 8.556 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.728 12.575 4.873 1.00 0.00 H new ATOM 0 HE1 TYR A 69 0.848 12.653 9.832 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.256 13.336 6.152 1.00 0.00 H new ATOM 0 HH TYR A 69 -2.150 13.716 8.161 1.00 0.00 H new ATOM 1132 N GLU A 70 4.982 12.535 7.934 1.00 0.00 N ATOM 1133 CA GLU A 70 5.422 12.972 9.296 1.00 0.00 C ATOM 1134 C GLU A 70 6.602 13.953 9.214 1.00 0.00 C ATOM 1135 O GLU A 70 6.897 14.649 10.168 1.00 0.00 O ATOM 1136 CB GLU A 70 5.850 11.688 10.009 1.00 0.00 C ATOM 1137 CG GLU A 70 4.609 10.898 10.430 1.00 0.00 C ATOM 1138 CD GLU A 70 4.978 9.929 11.554 1.00 0.00 C ATOM 1139 OE1 GLU A 70 5.164 10.388 12.669 1.00 0.00 O ATOM 1140 OE2 GLU A 70 5.067 8.743 11.281 1.00 0.00 O ATOM 0 H GLU A 70 5.035 11.530 7.767 1.00 0.00 H new ATOM 0 HA GLU A 70 4.624 13.494 9.823 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.472 11.083 9.349 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.454 11.929 10.884 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.827 11.580 10.765 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.209 10.348 9.578 1.00 0.00 H new ATOM 1147 N LYS A 71 7.288 14.007 8.095 1.00 0.00 N ATOM 1148 CA LYS A 71 8.457 14.934 7.977 1.00 0.00 C ATOM 1149 C LYS A 71 8.078 16.223 7.239 1.00 0.00 C ATOM 1150 O LYS A 71 8.721 17.244 7.401 1.00 0.00 O ATOM 1151 CB LYS A 71 9.501 14.155 7.176 1.00 0.00 C ATOM 1152 CG LYS A 71 9.987 12.958 7.997 1.00 0.00 C ATOM 1153 CD LYS A 71 11.006 13.432 9.035 1.00 0.00 C ATOM 1154 CE LYS A 71 12.347 13.707 8.349 1.00 0.00 C ATOM 1155 NZ LYS A 71 13.090 14.585 9.294 1.00 0.00 N ATOM 0 H LYS A 71 7.089 13.451 7.263 1.00 0.00 H new ATOM 0 HA LYS A 71 8.823 15.239 8.958 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.071 13.813 6.234 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.341 14.803 6.926 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.144 12.477 8.493 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.439 12.213 7.342 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.646 14.335 9.527 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.131 12.675 9.809 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.891 12.781 8.160 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.204 14.196 7.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.021 14.817 8.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.552 15.461 9.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.217 14.091 10.200 1.00 0.00 H new ATOM 1169 N ASP A 72 7.051 16.188 6.427 1.00 0.00 N ATOM 1170 CA ASP A 72 6.649 17.418 5.675 1.00 0.00 C ATOM 1171 C ASP A 72 5.405 18.059 6.297 1.00 0.00 C ATOM 1172 O ASP A 72 5.211 19.257 6.208 1.00 0.00 O ATOM 1173 CB ASP A 72 6.348 16.938 4.256 1.00 0.00 C ATOM 1174 CG ASP A 72 6.163 18.147 3.336 1.00 0.00 C ATOM 1175 OD1 ASP A 72 7.145 18.821 3.073 1.00 0.00 O ATOM 1176 OD2 ASP A 72 5.043 18.377 2.911 1.00 0.00 O ATOM 0 H ASP A 72 6.475 15.365 6.252 1.00 0.00 H new ATOM 0 HA ASP A 72 7.432 18.176 5.696 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.163 16.312 3.892 1.00 0.00 H new ATOM 0 HB3 ASP A 72 5.448 16.324 4.252 1.00 0.00 H new ATOM 1181 N ILE A 73 4.561 17.275 6.920 1.00 0.00 N ATOM 1182 CA ILE A 73 3.326 17.847 7.539 1.00 0.00 C ATOM 1183 C ILE A 73 3.699 18.782 8.700 1.00 0.00 C ATOM 1184 O ILE A 73 3.060 19.793 8.924 1.00 0.00 O ATOM 1185 CB ILE A 73 2.507 16.632 8.013 1.00 0.00 C ATOM 1186 CG1 ILE A 73 1.090 17.089 8.369 1.00 0.00 C ATOM 1187 CG2 ILE A 73 3.155 15.974 9.239 1.00 0.00 C ATOM 1188 CD1 ILE A 73 0.213 17.041 7.116 1.00 0.00 C ATOM 0 H ILE A 73 4.673 16.267 7.027 1.00 0.00 H new ATOM 0 HA ILE A 73 2.748 18.453 6.841 1.00 0.00 H new ATOM 0 HB ILE A 73 2.475 15.898 7.207 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.672 16.446 9.144 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.113 18.101 8.772 1.00 0.00 H new ATOM 0 HG21 ILE A 73 2.556 15.119 9.552 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.160 15.639 8.983 1.00 0.00 H new ATOM 0 HG23 ILE A 73 3.210 16.697 10.053 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.797 17.366 7.366 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.629 17.702 6.355 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.182 16.021 6.733 1.00 0.00 H new