USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 535 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 69:sc= 0.964 USER MOD Single : A 20 CYS SG : rot -27:sc= -0.989 USER MOD Single : A 21 SER OG : rot -21:sc= 0.525 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+ -137:sc= 0 (180deg=-0.151) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -0.177 K(o=-0.18,f=-3.1!) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0668 USER MOD Single : A 39 THR OG1 : rot 67:sc= -2.13! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -1.07 K(o=-1.1,f=-5!) USER MOD Single : A 51 SER OG : rot 180:sc= -0.268 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= -0.902 K(o=-0.9,f=-5!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -2.88 K(o=-2.9,f=-5.1!) USER MOD Single : A 61 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0673) USER MOD Single : A 64 LYS NZ :NH3+ -125:sc=-0.000273 (180deg=-0.109) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 136 N PRO A 9 3.094 16.490 1.638 1.00 0.00 N ATOM 137 CA PRO A 9 2.920 15.095 2.115 1.00 0.00 C ATOM 138 C PRO A 9 1.672 14.989 2.998 1.00 0.00 C ATOM 139 O PRO A 9 1.744 15.105 4.206 1.00 0.00 O ATOM 140 CB PRO A 9 4.185 14.827 2.923 1.00 0.00 C ATOM 141 CG PRO A 9 4.656 16.176 3.362 1.00 0.00 C ATOM 142 CD PRO A 9 4.230 17.156 2.300 1.00 0.00 C ATOM 0 HA PRO A 9 2.783 14.378 1.305 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.978 14.183 3.778 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.940 14.323 2.319 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.224 16.441 4.327 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.739 16.186 3.484 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.935 18.112 2.733 1.00 0.00 H new ATOM 0 HD3 PRO A 9 5.038 17.360 1.597 1.00 0.00 H new ATOM 150 N LYS A 10 0.530 14.774 2.396 1.00 0.00 N ATOM 151 CA LYS A 10 -0.735 14.664 3.183 1.00 0.00 C ATOM 152 C LYS A 10 -0.667 13.462 4.137 1.00 0.00 C ATOM 153 O LYS A 10 0.401 13.030 4.528 1.00 0.00 O ATOM 154 CB LYS A 10 -1.847 14.471 2.139 1.00 0.00 C ATOM 155 CG LYS A 10 -2.957 15.498 2.367 1.00 0.00 C ATOM 156 CD LYS A 10 -2.415 16.905 2.100 1.00 0.00 C ATOM 157 CE LYS A 10 -2.571 17.239 0.616 1.00 0.00 C ATOM 158 NZ LYS A 10 -2.654 18.726 0.563 1.00 0.00 N ATOM 0 H LYS A 10 0.419 14.669 1.387 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.912 15.545 3.800 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.438 14.581 1.135 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.253 13.462 2.209 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.800 15.290 1.708 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.327 15.428 3.390 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.952 17.634 2.706 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.365 16.963 2.388 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.724 16.870 0.037 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.467 16.778 0.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.762 19.033 -0.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.473 19.048 1.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.785 19.137 0.960 1.00 0.00 H new ATOM 172 N ARG A 11 -1.803 12.924 4.513 1.00 0.00 N ATOM 173 CA ARG A 11 -1.814 11.751 5.443 1.00 0.00 C ATOM 174 C ARG A 11 -1.073 10.561 4.805 1.00 0.00 C ATOM 175 O ARG A 11 -1.304 10.251 3.653 1.00 0.00 O ATOM 176 CB ARG A 11 -3.298 11.404 5.647 1.00 0.00 C ATOM 177 CG ARG A 11 -3.690 11.636 7.109 1.00 0.00 C ATOM 178 CD ARG A 11 -3.810 13.139 7.374 1.00 0.00 C ATOM 179 NE ARG A 11 -4.430 13.244 8.723 1.00 0.00 N ATOM 180 CZ ARG A 11 -5.686 13.579 8.840 1.00 0.00 C ATOM 181 NH1 ARG A 11 -6.070 14.788 8.532 1.00 0.00 N ATOM 182 NH2 ARG A 11 -6.558 12.707 9.264 1.00 0.00 N ATOM 0 H ARG A 11 -2.724 13.247 4.215 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.316 11.975 6.386 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.917 12.018 4.993 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.479 10.364 5.373 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.637 11.141 7.325 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.943 11.198 7.771 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.834 13.623 7.350 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.426 13.625 6.618 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.873 13.054 9.556 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.389 15.471 8.200 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.051 15.050 8.623 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.259 11.762 9.505 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.539 12.970 9.355 1.00 0.00 H new ATOM 196 N PRO A 12 -0.210 9.917 5.567 1.00 0.00 N ATOM 197 CA PRO A 12 0.531 8.754 5.028 1.00 0.00 C ATOM 198 C PRO A 12 -0.389 7.522 4.987 1.00 0.00 C ATOM 199 O PRO A 12 -1.134 7.290 5.920 1.00 0.00 O ATOM 200 CB PRO A 12 1.665 8.549 6.025 1.00 0.00 C ATOM 201 CG PRO A 12 1.170 9.135 7.309 1.00 0.00 C ATOM 202 CD PRO A 12 0.156 10.197 6.965 1.00 0.00 C ATOM 0 HA PRO A 12 0.894 8.908 4.012 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.901 7.491 6.140 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.577 9.045 5.692 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.719 8.363 7.933 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.995 9.564 7.878 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.713 10.144 7.621 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.576 11.197 7.073 1.00 0.00 H new ATOM 210 N PRO A 13 -0.323 6.765 3.913 1.00 0.00 N ATOM 211 CA PRO A 13 -1.181 5.563 3.794 1.00 0.00 C ATOM 212 C PRO A 13 -0.585 4.407 4.603 1.00 0.00 C ATOM 213 O PRO A 13 0.333 4.595 5.379 1.00 0.00 O ATOM 214 CB PRO A 13 -1.164 5.257 2.302 1.00 0.00 C ATOM 215 CG PRO A 13 0.112 5.846 1.783 1.00 0.00 C ATOM 216 CD PRO A 13 0.534 6.944 2.729 1.00 0.00 C ATOM 0 HA PRO A 13 -2.191 5.712 4.177 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -1.201 4.183 2.122 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -2.029 5.694 1.803 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.886 5.081 1.716 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.032 6.243 0.778 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.590 6.860 2.988 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.392 7.928 2.282 1.00 0.00 H new ATOM 224 N SER A 14 -1.105 3.214 4.434 1.00 0.00 N ATOM 225 CA SER A 14 -0.567 2.050 5.202 1.00 0.00 C ATOM 226 C SER A 14 -1.006 0.725 4.567 1.00 0.00 C ATOM 227 O SER A 14 -1.724 -0.054 5.165 1.00 0.00 O ATOM 228 CB SER A 14 -1.162 2.199 6.602 1.00 0.00 C ATOM 229 OG SER A 14 -2.554 1.911 6.555 1.00 0.00 O ATOM 0 H SER A 14 -1.875 2.998 3.800 1.00 0.00 H new ATOM 0 HA SER A 14 0.523 2.037 5.215 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.662 1.523 7.296 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.001 3.211 6.972 1.00 0.00 H new ATOM 0 HG SER A 14 -2.685 0.958 6.369 1.00 0.00 H new ATOM 235 N ALA A 15 -0.581 0.458 3.352 1.00 0.00 N ATOM 236 CA ALA A 15 -0.959 -0.814 2.648 1.00 0.00 C ATOM 237 C ALA A 15 -2.460 -0.837 2.351 1.00 0.00 C ATOM 238 O ALA A 15 -2.873 -0.603 1.232 1.00 0.00 O ATOM 239 CB ALA A 15 -0.557 -1.977 3.572 1.00 0.00 C ATOM 0 H ALA A 15 0.021 1.077 2.810 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.446 -0.897 1.690 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.815 -2.924 3.098 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.517 -1.943 3.754 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.088 -1.889 4.520 1.00 0.00 H new ATOM 245 N PHE A 16 -3.279 -1.128 3.334 1.00 0.00 N ATOM 246 CA PHE A 16 -4.765 -1.179 3.107 1.00 0.00 C ATOM 247 C PHE A 16 -5.260 0.062 2.360 1.00 0.00 C ATOM 248 O PHE A 16 -5.994 -0.038 1.394 1.00 0.00 O ATOM 249 CB PHE A 16 -5.370 -1.213 4.506 1.00 0.00 C ATOM 250 CG PHE A 16 -6.796 -1.702 4.431 1.00 0.00 C ATOM 251 CD1 PHE A 16 -7.804 -0.850 3.961 1.00 0.00 C ATOM 252 CD2 PHE A 16 -7.112 -3.005 4.831 1.00 0.00 C ATOM 253 CE1 PHE A 16 -9.127 -1.302 3.892 1.00 0.00 C ATOM 254 CE2 PHE A 16 -8.435 -3.457 4.762 1.00 0.00 C ATOM 255 CZ PHE A 16 -9.443 -2.606 4.293 1.00 0.00 C ATOM 0 H PHE A 16 -2.984 -1.334 4.289 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.045 -2.040 2.499 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.784 -1.868 5.150 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.339 -0.218 4.950 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.560 0.156 3.652 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.335 -3.662 5.193 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.904 -0.645 3.530 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -8.678 -4.463 5.071 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.464 -2.955 4.241 1.00 0.00 H new ATOM 265 N PHE A 17 -4.860 1.228 2.799 1.00 0.00 N ATOM 266 CA PHE A 17 -5.302 2.478 2.112 1.00 0.00 C ATOM 267 C PHE A 17 -4.842 2.456 0.653 1.00 0.00 C ATOM 268 O PHE A 17 -5.518 2.952 -0.228 1.00 0.00 O ATOM 269 CB PHE A 17 -4.632 3.623 2.873 1.00 0.00 C ATOM 270 CG PHE A 17 -5.330 4.921 2.545 1.00 0.00 C ATOM 271 CD1 PHE A 17 -6.440 5.328 3.297 1.00 0.00 C ATOM 272 CD2 PHE A 17 -4.872 5.716 1.489 1.00 0.00 C ATOM 273 CE1 PHE A 17 -7.089 6.530 2.992 1.00 0.00 C ATOM 274 CE2 PHE A 17 -5.520 6.919 1.184 1.00 0.00 C ATOM 275 CZ PHE A 17 -6.629 7.326 1.936 1.00 0.00 C ATOM 0 H PHE A 17 -4.247 1.368 3.602 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.387 2.586 2.108 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.675 3.435 3.946 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.578 3.686 2.603 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.795 4.714 4.112 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.017 5.401 0.908 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.945 6.844 3.571 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.165 7.533 0.369 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.129 8.254 1.701 1.00 0.00 H new ATOM 285 N LEU A 18 -3.697 1.874 0.397 1.00 0.00 N ATOM 286 CA LEU A 18 -3.184 1.806 -1.005 1.00 0.00 C ATOM 287 C LEU A 18 -4.014 0.799 -1.804 1.00 0.00 C ATOM 288 O LEU A 18 -4.224 0.955 -2.991 1.00 0.00 O ATOM 289 CB LEU A 18 -1.727 1.318 -0.902 1.00 0.00 C ATOM 290 CG LEU A 18 -0.916 2.179 0.083 1.00 0.00 C ATOM 291 CD1 LEU A 18 0.544 1.724 0.063 1.00 0.00 C ATOM 292 CD2 LEU A 18 -0.985 3.655 -0.326 1.00 0.00 C ATOM 0 H LEU A 18 -3.095 1.443 1.099 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.247 2.772 -1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.712 0.278 -0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.260 1.351 -1.886 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.332 2.064 1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.124 2.330 0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.603 0.676 0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.948 1.840 -0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.408 4.255 0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.573 3.775 -1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.023 3.986 -0.319 1.00 0.00 H new ATOM 304 N PHE A 19 -4.479 -0.236 -1.152 1.00 0.00 N ATOM 305 CA PHE A 19 -5.295 -1.272 -1.855 1.00 0.00 C ATOM 306 C PHE A 19 -6.695 -0.733 -2.164 1.00 0.00 C ATOM 307 O PHE A 19 -7.153 -0.789 -3.288 1.00 0.00 O ATOM 308 CB PHE A 19 -5.378 -2.446 -0.877 1.00 0.00 C ATOM 309 CG PHE A 19 -5.819 -3.689 -1.612 1.00 0.00 C ATOM 310 CD1 PHE A 19 -7.180 -3.913 -1.854 1.00 0.00 C ATOM 311 CD2 PHE A 19 -4.868 -4.619 -2.048 1.00 0.00 C ATOM 312 CE1 PHE A 19 -7.589 -5.066 -2.533 1.00 0.00 C ATOM 313 CE2 PHE A 19 -5.278 -5.773 -2.727 1.00 0.00 C ATOM 314 CZ PHE A 19 -6.638 -5.997 -2.970 1.00 0.00 C ATOM 0 H PHE A 19 -4.328 -0.409 -0.158 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.852 -1.564 -2.807 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.407 -2.613 -0.410 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.081 -2.216 -0.076 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.914 -3.196 -1.517 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.818 -4.447 -1.861 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.639 -5.238 -2.720 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.544 -6.491 -3.063 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.954 -6.887 -3.494 1.00 0.00 H new ATOM 324 N CYS A 20 -7.378 -0.218 -1.172 1.00 0.00 N ATOM 325 CA CYS A 20 -8.755 0.317 -1.411 1.00 0.00 C ATOM 326 C CYS A 20 -8.713 1.469 -2.432 1.00 0.00 C ATOM 327 O CYS A 20 -9.650 1.697 -3.172 1.00 0.00 O ATOM 328 CB CYS A 20 -9.251 0.794 -0.027 1.00 0.00 C ATOM 329 SG CYS A 20 -8.404 2.316 0.497 1.00 0.00 S ATOM 0 H CYS A 20 -7.044 -0.145 -0.211 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.426 -0.432 -1.831 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -10.326 0.970 -0.065 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -9.082 0.010 0.711 1.00 0.00 H new ATOM 0 HG CYS A 20 -7.231 2.374 -0.060 1.00 0.00 H new ATOM 335 N SER A 21 -7.636 2.208 -2.438 1.00 0.00 N ATOM 336 CA SER A 21 -7.516 3.372 -3.370 1.00 0.00 C ATOM 337 C SER A 21 -7.343 2.929 -4.827 1.00 0.00 C ATOM 338 O SER A 21 -7.633 3.685 -5.736 1.00 0.00 O ATOM 339 CB SER A 21 -6.275 4.130 -2.898 1.00 0.00 C ATOM 340 OG SER A 21 -5.124 3.320 -3.106 1.00 0.00 O ATOM 0 H SER A 21 -6.828 2.056 -1.834 1.00 0.00 H new ATOM 0 HA SER A 21 -8.419 3.983 -3.350 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.178 5.068 -3.444 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.369 4.384 -1.842 1.00 0.00 H new ATOM 0 HG SER A 21 -5.394 2.380 -3.176 1.00 0.00 H new ATOM 346 N GLU A 22 -6.852 1.735 -5.070 1.00 0.00 N ATOM 347 CA GLU A 22 -6.647 1.298 -6.488 1.00 0.00 C ATOM 348 C GLU A 22 -7.584 0.148 -6.887 1.00 0.00 C ATOM 349 O GLU A 22 -7.867 -0.035 -8.056 1.00 0.00 O ATOM 350 CB GLU A 22 -5.180 0.856 -6.562 1.00 0.00 C ATOM 351 CG GLU A 22 -4.934 -0.343 -5.632 1.00 0.00 C ATOM 352 CD GLU A 22 -4.565 -1.577 -6.460 1.00 0.00 C ATOM 353 OE1 GLU A 22 -5.392 -2.006 -7.248 1.00 0.00 O ATOM 354 OE2 GLU A 22 -3.463 -2.073 -6.291 1.00 0.00 O ATOM 0 H GLU A 22 -6.588 1.054 -4.358 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.875 2.107 -7.182 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.926 0.587 -7.587 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.530 1.684 -6.279 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.132 -0.112 -4.931 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.827 -0.545 -5.040 1.00 0.00 H new ATOM 361 N TYR A 23 -8.058 -0.637 -5.947 1.00 0.00 N ATOM 362 CA TYR A 23 -8.960 -1.777 -6.313 1.00 0.00 C ATOM 363 C TYR A 23 -10.396 -1.293 -6.541 1.00 0.00 C ATOM 364 O TYR A 23 -11.090 -1.789 -7.407 1.00 0.00 O ATOM 365 CB TYR A 23 -8.902 -2.735 -5.120 1.00 0.00 C ATOM 366 CG TYR A 23 -7.884 -3.818 -5.389 1.00 0.00 C ATOM 367 CD1 TYR A 23 -6.521 -3.559 -5.203 1.00 0.00 C ATOM 368 CD2 TYR A 23 -8.303 -5.080 -5.828 1.00 0.00 C ATOM 369 CE1 TYR A 23 -5.577 -4.561 -5.455 1.00 0.00 C ATOM 370 CE2 TYR A 23 -7.360 -6.083 -6.081 1.00 0.00 C ATOM 371 CZ TYR A 23 -5.996 -5.823 -5.894 1.00 0.00 C ATOM 372 OH TYR A 23 -5.066 -6.811 -6.142 1.00 0.00 O ATOM 0 H TYR A 23 -7.862 -0.539 -4.951 1.00 0.00 H new ATOM 0 HA TYR A 23 -8.645 -2.255 -7.240 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.636 -2.189 -4.215 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -9.883 -3.178 -4.949 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.198 -2.586 -4.865 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.355 -5.280 -5.971 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.526 -4.361 -5.311 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.683 -7.056 -6.420 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.524 -7.625 -6.438 1.00 0.00 H new ATOM 382 N ARG A 24 -10.850 -0.335 -5.769 1.00 0.00 N ATOM 383 CA ARG A 24 -12.247 0.181 -5.930 1.00 0.00 C ATOM 384 C ARG A 24 -12.588 0.489 -7.401 1.00 0.00 C ATOM 385 O ARG A 24 -13.580 -0.004 -7.888 1.00 0.00 O ATOM 386 CB ARG A 24 -12.313 1.454 -5.094 1.00 0.00 C ATOM 387 CG ARG A 24 -12.345 1.087 -3.609 1.00 0.00 C ATOM 388 CD ARG A 24 -12.282 2.363 -2.767 1.00 0.00 C ATOM 389 NE ARG A 24 -13.703 2.728 -2.516 1.00 0.00 N ATOM 390 CZ ARG A 24 -14.071 3.149 -1.337 1.00 0.00 C ATOM 391 NH1 ARG A 24 -14.093 2.323 -0.328 1.00 0.00 N ATOM 392 NH2 ARG A 24 -14.416 4.396 -1.169 1.00 0.00 N ATOM 0 H ARG A 24 -10.310 0.114 -5.030 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.971 -0.567 -5.606 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.450 2.086 -5.305 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -13.201 2.029 -5.357 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -13.255 0.532 -3.380 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.505 0.436 -3.366 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.747 2.194 -1.833 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.757 3.159 -3.295 1.00 0.00 H new ATOM 0 HE ARG A 24 -14.390 2.649 -3.266 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.823 1.348 -0.461 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.381 2.652 0.594 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.398 5.041 -1.959 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.704 4.726 -0.248 1.00 0.00 H new ATOM 406 N PRO A 25 -11.765 1.283 -8.073 1.00 0.00 N ATOM 407 CA PRO A 25 -12.044 1.620 -9.503 1.00 0.00 C ATOM 408 C PRO A 25 -12.085 0.348 -10.348 1.00 0.00 C ATOM 409 O PRO A 25 -12.780 0.279 -11.344 1.00 0.00 O ATOM 410 CB PRO A 25 -10.886 2.542 -9.889 1.00 0.00 C ATOM 411 CG PRO A 25 -9.810 2.213 -8.914 1.00 0.00 C ATOM 412 CD PRO A 25 -10.516 1.919 -7.618 1.00 0.00 C ATOM 0 HA PRO A 25 -13.010 2.100 -9.662 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.561 2.364 -10.914 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.174 3.591 -9.823 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.228 1.354 -9.247 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.115 3.045 -8.802 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.932 1.256 -6.979 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.708 2.826 -7.045 1.00 0.00 H new ATOM 420 N LYS A 26 -11.377 -0.669 -9.934 1.00 0.00 N ATOM 421 CA LYS A 26 -11.407 -1.957 -10.686 1.00 0.00 C ATOM 422 C LYS A 26 -12.783 -2.590 -10.502 1.00 0.00 C ATOM 423 O LYS A 26 -13.408 -3.049 -11.437 1.00 0.00 O ATOM 424 CB LYS A 26 -10.344 -2.831 -10.028 1.00 0.00 C ATOM 425 CG LYS A 26 -10.012 -4.012 -10.941 1.00 0.00 C ATOM 426 CD LYS A 26 -11.076 -5.100 -10.774 1.00 0.00 C ATOM 427 CE LYS A 26 -10.504 -6.447 -11.222 1.00 0.00 C ATOM 428 NZ LYS A 26 -10.630 -6.442 -12.708 1.00 0.00 N ATOM 0 H LYS A 26 -10.779 -0.663 -9.108 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.220 -1.831 -11.753 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.446 -2.245 -9.834 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.702 -3.193 -9.064 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.973 -3.683 -11.979 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.028 -4.410 -10.695 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.394 -5.156 -9.733 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.959 -4.854 -11.364 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.464 -6.557 -10.914 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.056 -7.277 -10.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.258 -7.335 -13.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.631 -6.343 -12.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.089 -5.645 -13.100 1.00 0.00 H new ATOM 442 N ILE A 27 -13.251 -2.605 -9.281 1.00 0.00 N ATOM 443 CA ILE A 27 -14.590 -3.195 -8.978 1.00 0.00 C ATOM 444 C ILE A 27 -15.677 -2.493 -9.797 1.00 0.00 C ATOM 445 O ILE A 27 -16.704 -3.066 -10.097 1.00 0.00 O ATOM 446 CB ILE A 27 -14.832 -2.910 -7.480 1.00 0.00 C ATOM 447 CG1 ILE A 27 -13.745 -3.561 -6.611 1.00 0.00 C ATOM 448 CG2 ILE A 27 -16.204 -3.450 -7.060 1.00 0.00 C ATOM 449 CD1 ILE A 27 -13.704 -5.070 -6.851 1.00 0.00 C ATOM 0 H ILE A 27 -12.757 -2.229 -8.471 1.00 0.00 H new ATOM 0 HA ILE A 27 -14.620 -4.258 -9.216 1.00 0.00 H new ATOM 0 HB ILE A 27 -14.798 -1.830 -7.333 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -12.774 -3.123 -6.843 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -13.943 -3.359 -5.558 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -16.367 -3.245 -6.002 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -16.982 -2.963 -7.648 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.239 -4.526 -7.231 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.929 -5.517 -6.228 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -14.670 -5.505 -6.596 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.484 -5.266 -7.900 1.00 0.00 H new ATOM 461 N LYS A 28 -15.473 -1.244 -10.109 1.00 0.00 N ATOM 462 CA LYS A 28 -16.521 -0.479 -10.853 1.00 0.00 C ATOM 463 C LYS A 28 -16.581 -0.931 -12.315 1.00 0.00 C ATOM 464 O LYS A 28 -17.642 -0.975 -12.910 1.00 0.00 O ATOM 465 CB LYS A 28 -16.144 1.022 -10.762 1.00 0.00 C ATOM 466 CG LYS A 28 -15.547 1.433 -9.393 1.00 0.00 C ATOM 467 CD LYS A 28 -16.240 0.757 -8.194 1.00 0.00 C ATOM 468 CE LYS A 28 -17.750 1.009 -8.247 1.00 0.00 C ATOM 469 NZ LYS A 28 -17.919 2.423 -7.810 1.00 0.00 N ATOM 0 H LYS A 28 -14.629 -0.718 -9.883 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.505 -0.655 -10.419 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.424 1.255 -11.547 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.032 1.623 -10.956 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.486 1.183 -9.378 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.621 2.515 -9.283 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.042 -0.315 -8.207 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.831 1.146 -7.261 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.141 0.857 -9.253 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.288 0.326 -7.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.724 2.490 -7.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.054 2.743 -7.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.097 3.024 -8.640 1.00 0.00 H new ATOM 483 N SER A 29 -15.458 -1.264 -12.897 1.00 0.00 N ATOM 484 CA SER A 29 -15.454 -1.711 -14.325 1.00 0.00 C ATOM 485 C SER A 29 -16.193 -3.047 -14.475 1.00 0.00 C ATOM 486 O SER A 29 -16.654 -3.389 -15.547 1.00 0.00 O ATOM 487 CB SER A 29 -13.979 -1.874 -14.693 1.00 0.00 C ATOM 488 OG SER A 29 -13.872 -2.184 -16.075 1.00 0.00 O ATOM 0 H SER A 29 -14.543 -1.246 -12.447 1.00 0.00 H new ATOM 0 HA SER A 29 -15.960 -0.996 -14.974 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.433 -0.957 -14.471 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.528 -2.666 -14.095 1.00 0.00 H new ATOM 0 HG SER A 29 -12.927 -2.288 -16.315 1.00 0.00 H new ATOM 494 N GLU A 30 -16.300 -3.803 -13.411 1.00 0.00 N ATOM 495 CA GLU A 30 -17.000 -5.121 -13.489 1.00 0.00 C ATOM 496 C GLU A 30 -18.257 -5.133 -12.609 1.00 0.00 C ATOM 497 O GLU A 30 -19.115 -5.983 -12.761 1.00 0.00 O ATOM 498 CB GLU A 30 -15.973 -6.128 -12.974 1.00 0.00 C ATOM 499 CG GLU A 30 -15.102 -6.611 -14.135 1.00 0.00 C ATOM 500 CD GLU A 30 -14.743 -8.085 -13.929 1.00 0.00 C ATOM 501 OE1 GLU A 30 -13.774 -8.347 -13.236 1.00 0.00 O ATOM 502 OE2 GLU A 30 -15.443 -8.925 -14.468 1.00 0.00 O ATOM 0 H GLU A 30 -15.932 -3.563 -12.490 1.00 0.00 H new ATOM 0 HA GLU A 30 -17.338 -5.347 -14.500 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.351 -5.668 -12.206 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -16.479 -6.974 -12.509 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.633 -6.484 -15.078 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.194 -6.010 -14.196 1.00 0.00 H new ATOM 509 N HIS A 31 -18.380 -4.196 -11.701 1.00 0.00 N ATOM 510 CA HIS A 31 -19.593 -4.156 -10.825 1.00 0.00 C ATOM 511 C HIS A 31 -20.183 -2.738 -10.842 1.00 0.00 C ATOM 512 O HIS A 31 -19.753 -1.887 -10.089 1.00 0.00 O ATOM 513 CB HIS A 31 -19.122 -4.527 -9.411 1.00 0.00 C ATOM 514 CG HIS A 31 -18.330 -5.809 -9.435 1.00 0.00 C ATOM 515 ND1 HIS A 31 -16.949 -5.818 -9.544 1.00 0.00 N ATOM 516 CD2 HIS A 31 -18.709 -7.126 -9.358 1.00 0.00 C ATOM 517 CE1 HIS A 31 -16.550 -7.102 -9.531 1.00 0.00 C ATOM 518 NE2 HIS A 31 -17.583 -7.941 -9.419 1.00 0.00 N ATOM 0 H HIS A 31 -17.696 -3.459 -11.529 1.00 0.00 H new ATOM 0 HA HIS A 31 -20.365 -4.846 -11.167 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.510 -3.723 -9.003 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -19.983 -4.638 -8.752 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -16.345 -5.000 -9.620 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -19.726 -7.476 -9.264 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -15.519 -7.417 -9.602 1.00 0.00 H new ATOM 526 N PRO A 32 -21.151 -2.521 -11.707 1.00 0.00 N ATOM 527 CA PRO A 32 -21.780 -1.183 -11.806 1.00 0.00 C ATOM 528 C PRO A 32 -22.710 -0.941 -10.620 1.00 0.00 C ATOM 529 O PRO A 32 -22.812 0.160 -10.113 1.00 0.00 O ATOM 530 CB PRO A 32 -22.562 -1.248 -13.114 1.00 0.00 C ATOM 531 CG PRO A 32 -22.829 -2.701 -13.350 1.00 0.00 C ATOM 532 CD PRO A 32 -21.745 -3.480 -12.653 1.00 0.00 C ATOM 0 HA PRO A 32 -21.057 -0.367 -11.792 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -23.492 -0.685 -13.043 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -21.990 -0.816 -13.935 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -23.810 -2.978 -12.963 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -22.834 -2.921 -14.417 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -22.151 -4.349 -12.135 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -21.004 -3.849 -13.362 1.00 0.00 H new ATOM 540 N GLY A 33 -23.381 -1.967 -10.171 1.00 0.00 N ATOM 541 CA GLY A 33 -24.303 -1.815 -9.011 1.00 0.00 C ATOM 542 C GLY A 33 -23.497 -1.710 -7.708 1.00 0.00 C ATOM 543 O GLY A 33 -24.002 -1.261 -6.701 1.00 0.00 O ATOM 0 H GLY A 33 -23.329 -2.908 -10.560 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -24.919 -0.925 -9.140 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -24.981 -2.667 -8.961 1.00 0.00 H new ATOM 547 N LEU A 34 -22.255 -2.140 -7.721 1.00 0.00 N ATOM 548 CA LEU A 34 -21.403 -2.085 -6.483 1.00 0.00 C ATOM 549 C LEU A 34 -21.341 -0.660 -5.908 1.00 0.00 C ATOM 550 O LEU A 34 -20.434 0.095 -6.202 1.00 0.00 O ATOM 551 CB LEU A 34 -20.001 -2.535 -6.944 1.00 0.00 C ATOM 552 CG LEU A 34 -19.581 -3.840 -6.243 1.00 0.00 C ATOM 553 CD1 LEU A 34 -19.330 -3.565 -4.760 1.00 0.00 C ATOM 554 CD2 LEU A 34 -20.673 -4.911 -6.389 1.00 0.00 C ATOM 0 H LEU A 34 -21.791 -2.530 -8.541 1.00 0.00 H new ATOM 0 HA LEU A 34 -21.807 -2.717 -5.692 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -19.999 -2.682 -8.024 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.274 -1.752 -6.727 1.00 0.00 H new ATOM 0 HG LEU A 34 -18.668 -4.208 -6.711 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -19.033 -4.489 -4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.536 -2.826 -4.656 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -20.242 -3.184 -4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -20.356 -5.825 -5.887 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -21.598 -4.551 -5.938 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -20.841 -5.118 -7.446 1.00 0.00 H new ATOM 566 N SER A 35 -22.293 -0.299 -5.087 1.00 0.00 N ATOM 567 CA SER A 35 -22.292 1.067 -4.482 1.00 0.00 C ATOM 568 C SER A 35 -21.325 1.099 -3.296 1.00 0.00 C ATOM 569 O SER A 35 -20.823 0.075 -2.875 1.00 0.00 O ATOM 570 CB SER A 35 -23.728 1.298 -4.015 1.00 0.00 C ATOM 571 OG SER A 35 -23.815 2.565 -3.376 1.00 0.00 O ATOM 0 H SER A 35 -23.074 -0.893 -4.808 1.00 0.00 H new ATOM 0 HA SER A 35 -21.971 1.837 -5.183 1.00 0.00 H new ATOM 0 HB2 SER A 35 -24.410 1.258 -4.864 1.00 0.00 H new ATOM 0 HB3 SER A 35 -24.030 0.509 -3.327 1.00 0.00 H new ATOM 0 HG SER A 35 -24.735 2.718 -3.076 1.00 0.00 H new ATOM 577 N ILE A 36 -21.061 2.263 -2.750 1.00 0.00 N ATOM 578 CA ILE A 36 -20.120 2.353 -1.584 1.00 0.00 C ATOM 579 C ILE A 36 -20.559 1.393 -0.468 1.00 0.00 C ATOM 580 O ILE A 36 -19.751 0.941 0.321 1.00 0.00 O ATOM 581 CB ILE A 36 -20.190 3.811 -1.105 1.00 0.00 C ATOM 582 CG1 ILE A 36 -19.684 4.755 -2.211 1.00 0.00 C ATOM 583 CG2 ILE A 36 -19.324 3.987 0.151 1.00 0.00 C ATOM 584 CD1 ILE A 36 -18.236 4.413 -2.584 1.00 0.00 C ATOM 0 H ILE A 36 -21.454 3.152 -3.059 1.00 0.00 H new ATOM 0 HA ILE A 36 -19.104 2.073 -1.861 1.00 0.00 H new ATOM 0 HB ILE A 36 -21.226 4.055 -0.871 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -20.323 4.671 -3.090 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -19.744 5.789 -1.871 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -19.377 5.023 0.487 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -19.690 3.330 0.940 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -18.290 3.733 -0.082 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -17.893 5.089 -3.367 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -17.599 4.521 -1.706 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -18.186 3.385 -2.944 1.00 0.00 H new ATOM 596 N GLY A 37 -21.828 1.078 -0.407 1.00 0.00 N ATOM 597 CA GLY A 37 -22.320 0.144 0.647 1.00 0.00 C ATOM 598 C GLY A 37 -21.631 -1.211 0.481 1.00 0.00 C ATOM 599 O GLY A 37 -20.779 -1.580 1.266 1.00 0.00 O ATOM 0 H GLY A 37 -22.544 1.428 -1.043 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -22.113 0.552 1.636 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -23.401 0.027 0.570 1.00 0.00 H new ATOM 603 N ASP A 38 -21.987 -1.944 -0.540 1.00 0.00 N ATOM 604 CA ASP A 38 -21.351 -3.278 -0.768 1.00 0.00 C ATOM 605 C ASP A 38 -19.887 -3.110 -1.185 1.00 0.00 C ATOM 606 O ASP A 38 -19.065 -3.959 -0.921 1.00 0.00 O ATOM 607 CB ASP A 38 -22.158 -3.921 -1.899 1.00 0.00 C ATOM 608 CG ASP A 38 -21.872 -5.423 -1.939 1.00 0.00 C ATOM 609 OD1 ASP A 38 -22.273 -6.108 -1.014 1.00 0.00 O ATOM 610 OD2 ASP A 38 -21.256 -5.864 -2.896 1.00 0.00 O ATOM 0 H ASP A 38 -22.692 -1.678 -1.228 1.00 0.00 H new ATOM 0 HA ASP A 38 -21.355 -3.889 0.134 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -23.223 -3.747 -1.745 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -21.895 -3.464 -2.853 1.00 0.00 H new ATOM 615 N THR A 39 -19.555 -2.011 -1.815 1.00 0.00 N ATOM 616 CA THR A 39 -18.136 -1.786 -2.236 1.00 0.00 C ATOM 617 C THR A 39 -17.257 -1.574 -1.001 1.00 0.00 C ATOM 618 O THR A 39 -16.098 -1.943 -0.985 1.00 0.00 O ATOM 619 CB THR A 39 -18.159 -0.530 -3.116 1.00 0.00 C ATOM 620 OG1 THR A 39 -18.958 -0.778 -4.264 1.00 0.00 O ATOM 621 CG2 THR A 39 -16.735 -0.177 -3.555 1.00 0.00 C ATOM 0 H THR A 39 -20.203 -1.261 -2.056 1.00 0.00 H new ATOM 0 HA THR A 39 -17.726 -2.638 -2.779 1.00 0.00 H new ATOM 0 HB THR A 39 -18.576 0.302 -2.548 1.00 0.00 H new ATOM 0 HG1 THR A 39 -19.893 -0.891 -3.994 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.758 0.716 -4.180 1.00 0.00 H new ATOM 0 HG22 THR A 39 -16.119 0.011 -2.675 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.313 -1.006 -4.123 1.00 0.00 H new ATOM 629 N ALA A 40 -17.805 -0.989 0.030 1.00 0.00 N ATOM 630 CA ALA A 40 -17.007 -0.757 1.270 1.00 0.00 C ATOM 631 C ALA A 40 -16.731 -2.094 1.956 1.00 0.00 C ATOM 632 O ALA A 40 -15.656 -2.324 2.479 1.00 0.00 O ATOM 633 CB ALA A 40 -17.880 0.133 2.156 1.00 0.00 C ATOM 0 H ALA A 40 -18.770 -0.662 0.068 1.00 0.00 H new ATOM 0 HA ALA A 40 -16.044 -0.290 1.064 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -17.356 0.345 3.088 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -18.091 1.068 1.637 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -18.817 -0.379 2.375 1.00 0.00 H new ATOM 639 N LYS A 41 -17.702 -2.972 1.967 1.00 0.00 N ATOM 640 CA LYS A 41 -17.511 -4.297 2.631 1.00 0.00 C ATOM 641 C LYS A 41 -16.993 -5.354 1.641 1.00 0.00 C ATOM 642 O LYS A 41 -16.512 -6.394 2.050 1.00 0.00 O ATOM 643 CB LYS A 41 -18.890 -4.684 3.188 1.00 0.00 C ATOM 644 CG LYS A 41 -19.882 -4.950 2.050 1.00 0.00 C ATOM 645 CD LYS A 41 -21.313 -4.908 2.596 1.00 0.00 C ATOM 646 CE LYS A 41 -21.665 -3.479 3.032 1.00 0.00 C ATOM 647 NZ LYS A 41 -22.252 -3.623 4.393 1.00 0.00 N ATOM 0 H LYS A 41 -18.619 -2.828 1.545 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.762 -4.240 3.421 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -18.799 -5.573 3.812 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -19.267 -3.884 3.826 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -19.759 -4.204 1.265 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -19.682 -5.922 1.599 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -22.013 -5.247 1.832 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -21.409 -5.589 3.441 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -20.780 -2.843 3.049 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -22.374 -3.020 2.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -22.518 -2.686 4.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -23.097 -4.228 4.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -21.552 -4.056 5.029 1.00 0.00 H new ATOM 661 N LYS A 42 -17.069 -5.103 0.352 1.00 0.00 N ATOM 662 CA LYS A 42 -16.559 -6.109 -0.637 1.00 0.00 C ATOM 663 C LYS A 42 -15.039 -5.960 -0.823 1.00 0.00 C ATOM 664 O LYS A 42 -14.430 -6.687 -1.586 1.00 0.00 O ATOM 665 CB LYS A 42 -17.302 -5.791 -1.944 1.00 0.00 C ATOM 666 CG LYS A 42 -16.952 -6.821 -3.027 1.00 0.00 C ATOM 667 CD LYS A 42 -17.349 -8.225 -2.562 1.00 0.00 C ATOM 668 CE LYS A 42 -17.750 -9.071 -3.772 1.00 0.00 C ATOM 669 NZ LYS A 42 -17.793 -10.471 -3.266 1.00 0.00 N ATOM 0 H LYS A 42 -17.459 -4.252 -0.054 1.00 0.00 H new ATOM 0 HA LYS A 42 -16.732 -7.134 -0.309 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -18.378 -5.792 -1.767 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -17.036 -4.791 -2.286 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.470 -6.576 -3.954 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -15.884 -6.788 -3.240 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -16.517 -8.694 -2.037 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -18.178 -8.165 -1.857 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -18.719 -8.763 -4.165 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -17.029 -8.966 -4.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.061 -11.112 -4.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.855 -10.738 -2.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -18.492 -10.542 -2.500 1.00 0.00 H new ATOM 683 N LEU A 43 -14.417 -5.043 -0.117 1.00 0.00 N ATOM 684 CA LEU A 43 -12.942 -4.872 -0.242 1.00 0.00 C ATOM 685 C LEU A 43 -12.256 -5.625 0.899 1.00 0.00 C ATOM 686 O LEU A 43 -11.192 -6.190 0.734 1.00 0.00 O ATOM 687 CB LEU A 43 -12.700 -3.367 -0.122 1.00 0.00 C ATOM 688 CG LEU A 43 -13.055 -2.685 -1.443 1.00 0.00 C ATOM 689 CD1 LEU A 43 -13.282 -1.191 -1.203 1.00 0.00 C ATOM 690 CD2 LEU A 43 -11.906 -2.870 -2.438 1.00 0.00 C ATOM 0 H LEU A 43 -14.872 -4.408 0.539 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.546 -5.262 -1.180 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -13.304 -2.954 0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.657 -3.175 0.130 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.964 -3.131 -1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.535 -0.705 -2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -14.099 -1.056 -0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.374 -0.745 -0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.159 -2.384 -3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.998 -2.425 -2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.742 -3.934 -2.611 1.00 0.00 H new ATOM 702 N GLY A 44 -12.876 -5.642 2.052 1.00 0.00 N ATOM 703 CA GLY A 44 -12.287 -6.365 3.215 1.00 0.00 C ATOM 704 C GLY A 44 -12.348 -7.869 2.944 1.00 0.00 C ATOM 705 O GLY A 44 -11.494 -8.621 3.373 1.00 0.00 O ATOM 0 H GLY A 44 -13.768 -5.184 2.236 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.255 -6.051 3.371 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.834 -6.123 4.126 1.00 0.00 H new ATOM 709 N GLU A 45 -13.356 -8.310 2.228 1.00 0.00 N ATOM 710 CA GLU A 45 -13.486 -9.769 1.913 1.00 0.00 C ATOM 711 C GLU A 45 -12.212 -10.278 1.231 1.00 0.00 C ATOM 712 O GLU A 45 -11.661 -11.295 1.607 1.00 0.00 O ATOM 713 CB GLU A 45 -14.676 -9.870 0.957 1.00 0.00 C ATOM 714 CG GLU A 45 -15.968 -10.022 1.762 1.00 0.00 C ATOM 715 CD GLU A 45 -17.136 -10.288 0.810 1.00 0.00 C ATOM 716 OE1 GLU A 45 -17.385 -11.447 0.520 1.00 0.00 O ATOM 717 OE2 GLU A 45 -17.759 -9.330 0.386 1.00 0.00 O ATOM 0 H GLU A 45 -14.096 -7.720 1.847 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.633 -10.370 2.811 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.729 -8.980 0.330 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.549 -10.723 0.290 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.871 -10.842 2.473 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.156 -9.118 2.341 1.00 0.00 H new ATOM 724 N MET A 46 -11.736 -9.563 0.244 1.00 0.00 N ATOM 725 CA MET A 46 -10.485 -9.985 -0.453 1.00 0.00 C ATOM 726 C MET A 46 -9.298 -9.779 0.487 1.00 0.00 C ATOM 727 O MET A 46 -8.479 -10.658 0.674 1.00 0.00 O ATOM 728 CB MET A 46 -10.371 -9.072 -1.676 1.00 0.00 C ATOM 729 CG MET A 46 -11.560 -9.315 -2.608 1.00 0.00 C ATOM 730 SD MET A 46 -11.691 -7.948 -3.787 1.00 0.00 S ATOM 731 CE MET A 46 -11.100 -8.848 -5.242 1.00 0.00 C ATOM 0 H MET A 46 -12.160 -8.705 -0.109 1.00 0.00 H new ATOM 0 HA MET A 46 -10.499 -11.035 -0.746 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.348 -8.028 -1.363 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.437 -9.267 -2.203 1.00 0.00 H new ATOM 0 HG2 MET A 46 -11.432 -10.258 -3.140 1.00 0.00 H new ATOM 0 HG3 MET A 46 -12.479 -9.399 -2.028 1.00 0.00 H new ATOM 0 HE1 MET A 46 -11.098 -8.183 -6.105 1.00 0.00 H new ATOM 0 HE2 MET A 46 -10.088 -9.209 -5.060 1.00 0.00 H new ATOM 0 HE3 MET A 46 -11.758 -9.695 -5.438 1.00 0.00 H new ATOM 741 N TRP A 47 -9.208 -8.616 1.083 1.00 0.00 N ATOM 742 CA TRP A 47 -8.079 -8.328 2.027 1.00 0.00 C ATOM 743 C TRP A 47 -7.985 -9.418 3.103 1.00 0.00 C ATOM 744 O TRP A 47 -6.967 -10.068 3.249 1.00 0.00 O ATOM 745 CB TRP A 47 -8.423 -6.979 2.663 1.00 0.00 C ATOM 746 CG TRP A 47 -7.257 -6.494 3.464 1.00 0.00 C ATOM 747 CD1 TRP A 47 -7.189 -6.499 4.816 1.00 0.00 C ATOM 748 CD2 TRP A 47 -5.997 -5.935 2.992 1.00 0.00 C ATOM 749 NE1 TRP A 47 -5.968 -5.978 5.203 1.00 0.00 N ATOM 750 CE2 TRP A 47 -5.198 -5.616 4.115 1.00 0.00 C ATOM 751 CE3 TRP A 47 -5.476 -5.676 1.712 1.00 0.00 C ATOM 752 CZ2 TRP A 47 -3.926 -5.061 3.973 1.00 0.00 C ATOM 753 CZ3 TRP A 47 -4.196 -5.116 1.565 1.00 0.00 C ATOM 754 CH2 TRP A 47 -3.423 -4.809 2.693 1.00 0.00 C ATOM 0 H TRP A 47 -9.869 -7.850 0.957 1.00 0.00 H new ATOM 0 HA TRP A 47 -7.117 -8.306 1.515 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.673 -6.253 1.889 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -9.300 -7.079 3.302 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -7.962 -6.852 5.483 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.672 -5.874 6.174 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -6.064 -5.909 0.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -3.334 -4.828 4.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.805 -4.921 0.577 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -2.440 -4.378 2.574 1.00 0.00 H new ATOM 765 N SER A 48 -9.039 -9.618 3.857 1.00 0.00 N ATOM 766 CA SER A 48 -9.012 -10.664 4.927 1.00 0.00 C ATOM 767 C SER A 48 -8.767 -12.046 4.312 1.00 0.00 C ATOM 768 O SER A 48 -8.121 -12.889 4.904 1.00 0.00 O ATOM 769 CB SER A 48 -10.394 -10.611 5.582 1.00 0.00 C ATOM 770 OG SER A 48 -10.455 -11.572 6.627 1.00 0.00 O ATOM 0 H SER A 48 -9.916 -9.103 3.778 1.00 0.00 H new ATOM 0 HA SER A 48 -8.214 -10.488 5.648 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.583 -9.613 5.978 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.168 -10.812 4.842 1.00 0.00 H new ATOM 0 HG SER A 48 -11.338 -11.540 7.050 1.00 0.00 H new ATOM 776 N GLU A 49 -9.279 -12.279 3.130 1.00 0.00 N ATOM 777 CA GLU A 49 -9.080 -13.608 2.467 1.00 0.00 C ATOM 778 C GLU A 49 -7.585 -13.903 2.308 1.00 0.00 C ATOM 779 O GLU A 49 -7.143 -15.023 2.486 1.00 0.00 O ATOM 780 CB GLU A 49 -9.750 -13.480 1.096 1.00 0.00 C ATOM 781 CG GLU A 49 -11.149 -14.101 1.148 1.00 0.00 C ATOM 782 CD GLU A 49 -11.916 -13.738 -0.125 1.00 0.00 C ATOM 783 OE1 GLU A 49 -11.502 -14.171 -1.188 1.00 0.00 O ATOM 784 OE2 GLU A 49 -12.904 -13.031 -0.014 1.00 0.00 O ATOM 0 H GLU A 49 -9.827 -11.607 2.593 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.505 -14.424 3.051 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.817 -12.430 0.809 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.147 -13.979 0.337 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.074 -15.184 1.244 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.687 -13.740 2.025 1.00 0.00 H new ATOM 791 N GLN A 50 -6.807 -12.903 1.980 1.00 0.00 N ATOM 792 CA GLN A 50 -5.336 -13.116 1.812 1.00 0.00 C ATOM 793 C GLN A 50 -4.695 -13.446 3.163 1.00 0.00 C ATOM 794 O GLN A 50 -5.289 -13.245 4.206 1.00 0.00 O ATOM 795 CB GLN A 50 -4.794 -11.792 1.270 1.00 0.00 C ATOM 796 CG GLN A 50 -5.147 -11.666 -0.213 1.00 0.00 C ATOM 797 CD GLN A 50 -4.153 -12.479 -1.045 1.00 0.00 C ATOM 798 OE1 GLN A 50 -2.956 -12.321 -0.909 1.00 0.00 O ATOM 799 NE2 GLN A 50 -4.601 -13.350 -1.906 1.00 0.00 N ATOM 0 H GLN A 50 -7.126 -11.947 1.821 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.115 -13.946 1.141 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.218 -10.957 1.828 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.713 -11.748 1.403 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.162 -12.023 -0.388 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.121 -10.619 -0.516 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.606 -13.483 -2.021 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.947 -13.898 -2.465 1.00 0.00 H new ATOM 808 N SER A 51 -3.488 -13.951 3.149 1.00 0.00 N ATOM 809 CA SER A 51 -2.798 -14.297 4.426 1.00 0.00 C ATOM 810 C SER A 51 -1.284 -14.147 4.265 1.00 0.00 C ATOM 811 O SER A 51 -0.638 -14.945 3.613 1.00 0.00 O ATOM 812 CB SER A 51 -3.168 -15.756 4.694 1.00 0.00 C ATOM 813 OG SER A 51 -4.583 -15.876 4.763 1.00 0.00 O ATOM 0 H SER A 51 -2.949 -14.139 2.304 1.00 0.00 H new ATOM 0 HA SER A 51 -3.096 -13.645 5.247 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.775 -16.394 3.902 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.717 -16.092 5.628 1.00 0.00 H new ATOM 0 HG SER A 51 -4.824 -16.811 4.933 1.00 0.00 H new ATOM 819 N ALA A 52 -0.711 -13.124 4.854 1.00 0.00 N ATOM 820 CA ALA A 52 0.769 -12.901 4.743 1.00 0.00 C ATOM 821 C ALA A 52 1.206 -12.894 3.274 1.00 0.00 C ATOM 822 O ALA A 52 2.174 -13.530 2.902 1.00 0.00 O ATOM 823 CB ALA A 52 1.416 -14.070 5.491 1.00 0.00 C ATOM 0 H ALA A 52 -1.207 -12.429 5.411 1.00 0.00 H new ATOM 0 HA ALA A 52 1.064 -11.939 5.163 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.501 -13.972 5.451 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.089 -14.062 6.531 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.119 -15.009 5.025 1.00 0.00 H new ATOM 829 N LYS A 53 0.498 -12.174 2.441 1.00 0.00 N ATOM 830 CA LYS A 53 0.861 -12.114 0.995 1.00 0.00 C ATOM 831 C LYS A 53 0.467 -10.753 0.416 1.00 0.00 C ATOM 832 O LYS A 53 1.306 -9.978 0.002 1.00 0.00 O ATOM 833 CB LYS A 53 0.054 -13.233 0.336 1.00 0.00 C ATOM 834 CG LYS A 53 0.735 -14.578 0.600 1.00 0.00 C ATOM 835 CD LYS A 53 -0.056 -15.694 -0.086 1.00 0.00 C ATOM 836 CE LYS A 53 0.287 -15.721 -1.577 1.00 0.00 C ATOM 837 NZ LYS A 53 -0.244 -17.023 -2.069 1.00 0.00 N ATOM 0 H LYS A 53 -0.319 -11.623 2.703 1.00 0.00 H new ATOM 0 HA LYS A 53 1.931 -12.236 0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.962 -13.244 0.731 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.023 -13.057 -0.737 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.758 -14.559 0.225 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.792 -14.764 1.672 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.181 -16.655 0.370 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.125 -15.532 0.049 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.171 -14.883 -2.103 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.363 -15.647 -1.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.047 -17.116 -3.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.215 -17.802 -1.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.271 -17.061 -1.910 1.00 0.00 H new ATOM 851 N ASP A 54 -0.807 -10.464 0.379 1.00 0.00 N ATOM 852 CA ASP A 54 -1.268 -9.154 -0.177 1.00 0.00 C ATOM 853 C ASP A 54 -0.666 -7.990 0.618 1.00 0.00 C ATOM 854 O ASP A 54 -0.429 -6.925 0.079 1.00 0.00 O ATOM 855 CB ASP A 54 -2.792 -9.167 -0.030 1.00 0.00 C ATOM 856 CG ASP A 54 -3.404 -8.123 -0.964 1.00 0.00 C ATOM 857 OD1 ASP A 54 -3.331 -8.317 -2.167 1.00 0.00 O ATOM 858 OD2 ASP A 54 -3.935 -7.145 -0.462 1.00 0.00 O ATOM 0 H ASP A 54 -1.551 -11.078 0.710 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.959 -9.023 -1.214 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.182 -10.156 -0.268 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.070 -8.954 1.002 1.00 0.00 H new ATOM 863 N LYS A 55 -0.427 -8.179 1.894 1.00 0.00 N ATOM 864 CA LYS A 55 0.148 -7.074 2.720 1.00 0.00 C ATOM 865 C LYS A 55 1.670 -7.203 2.835 1.00 0.00 C ATOM 866 O LYS A 55 2.266 -6.685 3.758 1.00 0.00 O ATOM 867 CB LYS A 55 -0.503 -7.221 4.096 1.00 0.00 C ATOM 868 CG LYS A 55 -0.322 -5.927 4.890 1.00 0.00 C ATOM 869 CD LYS A 55 -0.289 -6.246 6.387 1.00 0.00 C ATOM 870 CE LYS A 55 -0.010 -4.966 7.177 1.00 0.00 C ATOM 871 NZ LYS A 55 1.472 -4.920 7.324 1.00 0.00 N ATOM 0 H LYS A 55 -0.605 -9.049 2.397 1.00 0.00 H new ATOM 0 HA LYS A 55 -0.046 -6.099 2.273 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.564 -7.446 3.985 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.054 -8.056 4.634 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.602 -5.432 4.593 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.137 -5.237 4.672 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.240 -6.678 6.698 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.481 -6.989 6.594 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.382 -4.088 6.650 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.503 -4.987 8.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.742 -4.068 7.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.797 -5.765 7.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.914 -4.894 6.383 1.00 0.00 H new ATOM 885 N GLN A 56 2.305 -7.892 1.918 1.00 0.00 N ATOM 886 CA GLN A 56 3.792 -8.036 1.993 1.00 0.00 C ATOM 887 C GLN A 56 4.483 -7.032 1.048 1.00 0.00 C ATOM 888 O GLN A 56 5.318 -6.269 1.491 1.00 0.00 O ATOM 889 CB GLN A 56 4.095 -9.481 1.581 1.00 0.00 C ATOM 890 CG GLN A 56 4.419 -10.316 2.823 1.00 0.00 C ATOM 891 CD GLN A 56 5.820 -9.963 3.325 1.00 0.00 C ATOM 892 OE1 GLN A 56 6.131 -8.807 3.528 1.00 0.00 O ATOM 893 NE2 GLN A 56 6.685 -10.918 3.534 1.00 0.00 N ATOM 0 H GLN A 56 1.861 -8.358 1.126 1.00 0.00 H new ATOM 0 HA GLN A 56 4.167 -7.826 2.995 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.239 -9.907 1.058 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.935 -9.503 0.887 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.683 -10.126 3.604 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.364 -11.378 2.585 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.424 -11.889 3.363 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.622 -10.693 3.868 1.00 0.00 H new ATOM 902 N PRO A 57 4.129 -7.049 -0.225 1.00 0.00 N ATOM 903 CA PRO A 57 4.757 -6.109 -1.183 1.00 0.00 C ATOM 904 C PRO A 57 4.054 -4.744 -1.149 1.00 0.00 C ATOM 905 O PRO A 57 4.681 -3.712 -1.289 1.00 0.00 O ATOM 906 CB PRO A 57 4.546 -6.776 -2.532 1.00 0.00 C ATOM 907 CG PRO A 57 3.334 -7.636 -2.365 1.00 0.00 C ATOM 908 CD PRO A 57 3.149 -7.918 -0.893 1.00 0.00 C ATOM 0 HA PRO A 57 5.806 -5.919 -0.958 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.397 -6.035 -3.317 1.00 0.00 H new ATOM 0 HB3 PRO A 57 5.414 -7.371 -2.816 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.454 -7.134 -2.769 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.451 -8.568 -2.918 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.133 -7.691 -0.570 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.329 -8.968 -0.664 1.00 0.00 H new ATOM 916 N TYR A 58 2.754 -4.739 -0.980 1.00 0.00 N ATOM 917 CA TYR A 58 1.999 -3.446 -0.952 1.00 0.00 C ATOM 918 C TYR A 58 2.092 -2.761 0.420 1.00 0.00 C ATOM 919 O TYR A 58 1.458 -1.748 0.648 1.00 0.00 O ATOM 920 CB TYR A 58 0.549 -3.832 -1.252 1.00 0.00 C ATOM 921 CG TYR A 58 0.299 -3.749 -2.739 1.00 0.00 C ATOM 922 CD1 TYR A 58 -0.065 -2.529 -3.321 1.00 0.00 C ATOM 923 CD2 TYR A 58 0.431 -4.892 -3.536 1.00 0.00 C ATOM 924 CE1 TYR A 58 -0.298 -2.452 -4.699 1.00 0.00 C ATOM 925 CE2 TYR A 58 0.199 -4.815 -4.914 1.00 0.00 C ATOM 926 CZ TYR A 58 -0.166 -3.595 -5.495 1.00 0.00 C ATOM 927 OH TYR A 58 -0.395 -3.520 -6.854 1.00 0.00 O ATOM 0 H TYR A 58 2.182 -5.575 -0.860 1.00 0.00 H new ATOM 0 HA TYR A 58 2.405 -2.735 -1.672 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.350 -4.843 -0.896 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.132 -3.167 -0.721 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -0.166 -1.647 -2.706 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.712 -5.833 -3.088 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -0.580 -1.511 -5.148 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.302 -5.697 -5.529 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.259 -4.402 -7.258 1.00 0.00 H new ATOM 937 N GLU A 59 2.870 -3.294 1.334 1.00 0.00 N ATOM 938 CA GLU A 59 2.989 -2.658 2.680 1.00 0.00 C ATOM 939 C GLU A 59 4.249 -1.778 2.754 1.00 0.00 C ATOM 940 O GLU A 59 4.351 -0.899 3.588 1.00 0.00 O ATOM 941 CB GLU A 59 3.061 -3.835 3.665 1.00 0.00 C ATOM 942 CG GLU A 59 4.389 -4.594 3.499 1.00 0.00 C ATOM 943 CD GLU A 59 5.362 -4.171 4.602 1.00 0.00 C ATOM 944 OE1 GLU A 59 5.159 -4.582 5.734 1.00 0.00 O ATOM 945 OE2 GLU A 59 6.292 -3.444 4.298 1.00 0.00 O ATOM 0 H GLU A 59 3.425 -4.140 1.204 1.00 0.00 H new ATOM 0 HA GLU A 59 2.152 -1.998 2.906 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.970 -3.468 4.687 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.224 -4.512 3.494 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.214 -5.669 3.547 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.820 -4.384 2.520 1.00 0.00 H new ATOM 952 N GLN A 60 5.204 -2.010 1.883 1.00 0.00 N ATOM 953 CA GLN A 60 6.453 -1.190 1.898 1.00 0.00 C ATOM 954 C GLN A 60 6.201 0.179 1.251 1.00 0.00 C ATOM 955 O GLN A 60 6.892 1.141 1.530 1.00 0.00 O ATOM 956 CB GLN A 60 7.479 -2.004 1.092 1.00 0.00 C ATOM 957 CG GLN A 60 7.017 -2.162 -0.363 1.00 0.00 C ATOM 958 CD GLN A 60 7.384 -3.559 -0.869 1.00 0.00 C ATOM 959 OE1 GLN A 60 7.276 -4.528 -0.145 1.00 0.00 O ATOM 960 NE2 GLN A 60 7.819 -3.701 -2.092 1.00 0.00 N ATOM 0 H GLN A 60 5.170 -2.732 1.164 1.00 0.00 H new ATOM 0 HA GLN A 60 6.806 -0.993 2.910 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.449 -1.507 1.120 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.611 -2.986 1.546 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.940 -2.011 -0.432 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.486 -1.403 -0.989 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.909 -2.886 -2.699 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.069 -4.627 -2.440 1.00 0.00 H new ATOM 969 N LYS A 61 5.215 0.272 0.391 1.00 0.00 N ATOM 970 CA LYS A 61 4.911 1.577 -0.276 1.00 0.00 C ATOM 971 C LYS A 61 4.594 2.644 0.778 1.00 0.00 C ATOM 972 O LYS A 61 5.088 3.754 0.716 1.00 0.00 O ATOM 973 CB LYS A 61 3.686 1.306 -1.154 1.00 0.00 C ATOM 974 CG LYS A 61 3.310 2.575 -1.922 1.00 0.00 C ATOM 975 CD LYS A 61 2.436 2.206 -3.122 1.00 0.00 C ATOM 976 CE LYS A 61 2.375 3.388 -4.094 1.00 0.00 C ATOM 977 NZ LYS A 61 3.602 3.263 -4.927 1.00 0.00 N ATOM 0 H LYS A 61 4.607 -0.501 0.122 1.00 0.00 H new ATOM 0 HA LYS A 61 5.752 1.946 -0.862 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.899 0.497 -1.852 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.849 0.982 -0.536 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.776 3.264 -1.268 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.210 3.089 -2.259 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.843 1.329 -3.625 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.432 1.945 -2.787 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.475 3.349 -4.708 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.355 4.338 -3.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.980 4.210 -5.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.316 2.709 -4.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.368 2.783 -5.819 1.00 0.00 H new ATOM 991 N ALA A 62 3.783 2.307 1.750 1.00 0.00 N ATOM 992 CA ALA A 62 3.441 3.294 2.819 1.00 0.00 C ATOM 993 C ALA A 62 4.645 3.527 3.744 1.00 0.00 C ATOM 994 O ALA A 62 4.639 4.435 4.554 1.00 0.00 O ATOM 995 CB ALA A 62 2.283 2.663 3.594 1.00 0.00 C ATOM 0 H ALA A 62 3.344 1.392 1.849 1.00 0.00 H new ATOM 0 HA ALA A 62 3.172 4.265 2.404 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.976 3.332 4.398 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.443 2.496 2.920 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.604 1.711 4.017 1.00 0.00 H new ATOM 1001 N ALA A 63 5.682 2.729 3.622 1.00 0.00 N ATOM 1002 CA ALA A 63 6.887 2.926 4.482 1.00 0.00 C ATOM 1003 C ALA A 63 7.842 3.950 3.845 1.00 0.00 C ATOM 1004 O ALA A 63 8.907 4.219 4.368 1.00 0.00 O ATOM 1005 CB ALA A 63 7.548 1.550 4.557 1.00 0.00 C ATOM 0 H ALA A 63 5.742 1.952 2.964 1.00 0.00 H new ATOM 0 HA ALA A 63 6.629 3.310 5.469 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.445 1.610 5.174 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.852 0.836 4.997 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.819 1.221 3.554 1.00 0.00 H new ATOM 1011 N LYS A 64 7.466 4.530 2.726 1.00 0.00 N ATOM 1012 CA LYS A 64 8.338 5.539 2.061 1.00 0.00 C ATOM 1013 C LYS A 64 7.767 6.936 2.292 1.00 0.00 C ATOM 1014 O LYS A 64 8.488 7.907 2.408 1.00 0.00 O ATOM 1015 CB LYS A 64 8.282 5.183 0.578 1.00 0.00 C ATOM 1016 CG LYS A 64 9.123 3.932 0.316 1.00 0.00 C ATOM 1017 CD LYS A 64 10.610 4.294 0.349 1.00 0.00 C ATOM 1018 CE LYS A 64 11.447 3.013 0.328 1.00 0.00 C ATOM 1019 NZ LYS A 64 11.402 2.548 -1.087 1.00 0.00 N ATOM 0 H LYS A 64 6.585 4.342 2.247 1.00 0.00 H new ATOM 0 HA LYS A 64 9.358 5.534 2.444 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.250 5.009 0.275 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.654 6.015 -0.020 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.907 3.173 1.068 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.864 3.504 -0.653 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.862 4.920 -0.507 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.835 4.873 1.245 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.471 3.205 0.648 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.037 2.262 1.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.057 1.567 -1.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.761 3.159 -1.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.356 2.593 -1.498 1.00 0.00 H new ATOM 1033 N LEU A 65 6.466 7.029 2.367 1.00 0.00 N ATOM 1034 CA LEU A 65 5.808 8.349 2.601 1.00 0.00 C ATOM 1035 C LEU A 65 5.835 8.723 4.094 1.00 0.00 C ATOM 1036 O LEU A 65 5.284 9.734 4.490 1.00 0.00 O ATOM 1037 CB LEU A 65 4.365 8.156 2.127 1.00 0.00 C ATOM 1038 CG LEU A 65 4.302 8.301 0.606 1.00 0.00 C ATOM 1039 CD1 LEU A 65 4.569 6.945 -0.049 1.00 0.00 C ATOM 1040 CD2 LEU A 65 2.913 8.797 0.200 1.00 0.00 C ATOM 0 H LEU A 65 5.825 6.241 2.275 1.00 0.00 H new ATOM 0 HA LEU A 65 6.317 9.155 2.072 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.002 7.172 2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.715 8.892 2.600 1.00 0.00 H new ATOM 0 HG LEU A 65 5.056 9.017 0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.524 7.049 -1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.558 6.590 0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.816 6.228 0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.866 8.901 -0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.160 8.080 0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.721 9.764 0.666 1.00 0.00 H new ATOM 1052 N LYS A 66 6.475 7.927 4.924 1.00 0.00 N ATOM 1053 CA LYS A 66 6.540 8.251 6.380 1.00 0.00 C ATOM 1054 C LYS A 66 7.863 8.952 6.700 1.00 0.00 C ATOM 1055 O LYS A 66 7.956 9.721 7.639 1.00 0.00 O ATOM 1056 CB LYS A 66 6.461 6.900 7.092 1.00 0.00 C ATOM 1057 CG LYS A 66 6.163 7.122 8.576 1.00 0.00 C ATOM 1058 CD LYS A 66 5.849 5.781 9.241 1.00 0.00 C ATOM 1059 CE LYS A 66 5.525 6.006 10.720 1.00 0.00 C ATOM 1060 NZ LYS A 66 5.230 4.651 11.260 1.00 0.00 N ATOM 0 H LYS A 66 6.953 7.068 4.651 1.00 0.00 H new ATOM 0 HA LYS A 66 5.739 8.921 6.693 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.682 6.285 6.642 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.401 6.360 6.976 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.018 7.590 9.063 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.319 7.803 8.690 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.005 5.304 8.742 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.700 5.107 9.143 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.364 6.465 11.243 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.671 6.673 10.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.998 4.723 12.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.422 4.242 10.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.063 4.040 11.138 1.00 0.00 H new ATOM 1074 N GLU A 67 8.885 8.696 5.920 1.00 0.00 N ATOM 1075 CA GLU A 67 10.206 9.349 6.166 1.00 0.00 C ATOM 1076 C GLU A 67 10.255 10.736 5.507 1.00 0.00 C ATOM 1077 O GLU A 67 11.117 11.539 5.808 1.00 0.00 O ATOM 1078 CB GLU A 67 11.233 8.416 5.525 1.00 0.00 C ATOM 1079 CG GLU A 67 11.677 7.368 6.547 1.00 0.00 C ATOM 1080 CD GLU A 67 12.526 6.303 5.849 1.00 0.00 C ATOM 1081 OE1 GLU A 67 11.958 5.495 5.135 1.00 0.00 O ATOM 1082 OE2 GLU A 67 13.731 6.314 6.042 1.00 0.00 O ATOM 0 H GLU A 67 8.860 8.061 5.122 1.00 0.00 H new ATOM 0 HA GLU A 67 10.395 9.501 7.229 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.801 7.928 4.651 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.093 8.988 5.178 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.251 7.841 7.344 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.806 6.907 7.013 1.00 0.00 H new ATOM 1089 N LYS A 68 9.331 11.027 4.621 1.00 0.00 N ATOM 1090 CA LYS A 68 9.317 12.362 3.954 1.00 0.00 C ATOM 1091 C LYS A 68 8.218 13.234 4.567 1.00 0.00 C ATOM 1092 O LYS A 68 8.321 14.445 4.607 1.00 0.00 O ATOM 1093 CB LYS A 68 9.015 12.070 2.485 1.00 0.00 C ATOM 1094 CG LYS A 68 10.320 11.786 1.741 1.00 0.00 C ATOM 1095 CD LYS A 68 10.993 13.108 1.366 1.00 0.00 C ATOM 1096 CE LYS A 68 11.964 12.877 0.206 1.00 0.00 C ATOM 1097 NZ LYS A 68 12.109 14.209 -0.444 1.00 0.00 N ATOM 0 H LYS A 68 8.585 10.393 4.333 1.00 0.00 H new ATOM 0 HA LYS A 68 10.259 12.898 4.073 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.345 11.214 2.404 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.504 12.920 2.032 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.986 11.192 2.367 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.119 11.201 0.844 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.240 13.844 1.083 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.527 13.513 2.226 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.924 12.505 0.563 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.575 12.137 -0.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.761 14.133 -1.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.180 14.535 -0.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.487 14.891 0.244 1.00 0.00 H new ATOM 1111 N TYR A 69 7.169 12.618 5.050 1.00 0.00 N ATOM 1112 CA TYR A 69 6.053 13.393 5.672 1.00 0.00 C ATOM 1113 C TYR A 69 6.477 13.880 7.065 1.00 0.00 C ATOM 1114 O TYR A 69 6.390 15.050 7.373 1.00 0.00 O ATOM 1115 CB TYR A 69 4.884 12.391 5.757 1.00 0.00 C ATOM 1116 CG TYR A 69 3.748 12.945 6.598 1.00 0.00 C ATOM 1117 CD1 TYR A 69 3.283 14.250 6.390 1.00 0.00 C ATOM 1118 CD2 TYR A 69 3.164 12.145 7.588 1.00 0.00 C ATOM 1119 CE1 TYR A 69 2.233 14.751 7.170 1.00 0.00 C ATOM 1120 CE2 TYR A 69 2.116 12.647 8.367 1.00 0.00 C ATOM 1121 CZ TYR A 69 1.650 13.950 8.159 1.00 0.00 C ATOM 1122 OH TYR A 69 0.617 14.444 8.927 1.00 0.00 O ATOM 0 H TYR A 69 7.037 11.607 5.040 1.00 0.00 H new ATOM 0 HA TYR A 69 5.777 14.280 5.103 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.521 12.165 4.754 1.00 0.00 H new ATOM 0 HB3 TYR A 69 5.235 11.453 6.188 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.734 14.869 5.629 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.523 11.139 7.750 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.873 15.756 7.008 1.00 0.00 H new ATOM 0 HE2 TYR A 69 1.666 12.028 9.130 1.00 0.00 H new ATOM 0 HH TYR A 69 0.327 13.759 9.565 1.00 0.00 H new ATOM 1132 N GLU A 70 6.926 12.982 7.903 1.00 0.00 N ATOM 1133 CA GLU A 70 7.348 13.379 9.285 1.00 0.00 C ATOM 1134 C GLU A 70 8.556 14.327 9.254 1.00 0.00 C ATOM 1135 O GLU A 70 8.890 14.934 10.254 1.00 0.00 O ATOM 1136 CB GLU A 70 7.720 12.068 9.981 1.00 0.00 C ATOM 1137 CG GLU A 70 6.448 11.274 10.286 1.00 0.00 C ATOM 1138 CD GLU A 70 5.742 11.886 11.497 1.00 0.00 C ATOM 1139 OE1 GLU A 70 6.275 11.772 12.588 1.00 0.00 O ATOM 1140 OE2 GLU A 70 4.679 12.457 11.313 1.00 0.00 O ATOM 0 H GLU A 70 7.020 11.988 7.692 1.00 0.00 H new ATOM 0 HA GLU A 70 6.553 13.915 9.803 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.384 11.482 9.345 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.263 12.275 10.904 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.784 11.284 9.421 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.696 10.232 10.485 1.00 0.00 H new ATOM 1147 N LYS A 71 9.219 14.456 8.129 1.00 0.00 N ATOM 1148 CA LYS A 71 10.406 15.361 8.059 1.00 0.00 C ATOM 1149 C LYS A 71 10.086 16.621 7.246 1.00 0.00 C ATOM 1150 O LYS A 71 10.620 17.683 7.505 1.00 0.00 O ATOM 1151 CB LYS A 71 11.488 14.537 7.362 1.00 0.00 C ATOM 1152 CG LYS A 71 12.118 13.567 8.364 1.00 0.00 C ATOM 1153 CD LYS A 71 13.215 14.288 9.151 1.00 0.00 C ATOM 1154 CE LYS A 71 14.263 13.273 9.613 1.00 0.00 C ATOM 1155 NZ LYS A 71 13.712 12.698 10.872 1.00 0.00 N ATOM 0 H LYS A 71 8.989 13.974 7.260 1.00 0.00 H new ATOM 0 HA LYS A 71 10.716 15.701 9.047 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.057 13.985 6.527 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.252 15.196 6.949 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.357 13.186 9.045 1.00 0.00 H new ATOM 0 HG3 LYS A 71 12.536 12.707 7.841 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.682 15.051 8.529 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.784 14.799 10.012 1.00 0.00 H new ATOM 0 HE2 LYS A 71 14.422 12.499 8.862 1.00 0.00 H new ATOM 0 HE3 LYS A 71 15.227 13.752 9.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.375 11.992 11.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.578 13.457 11.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.798 12.243 10.675 1.00 0.00 H new ATOM 1169 N ASP A 72 9.237 16.507 6.256 1.00 0.00 N ATOM 1170 CA ASP A 72 8.900 17.696 5.413 1.00 0.00 C ATOM 1171 C ASP A 72 7.705 18.465 5.988 1.00 0.00 C ATOM 1172 O ASP A 72 7.654 19.679 5.917 1.00 0.00 O ATOM 1173 CB ASP A 72 8.549 17.117 4.042 1.00 0.00 C ATOM 1174 CG ASP A 72 8.517 18.243 3.006 1.00 0.00 C ATOM 1175 OD1 ASP A 72 7.601 19.047 3.061 1.00 0.00 O ATOM 1176 OD2 ASP A 72 9.411 18.283 2.176 1.00 0.00 O ATOM 0 H ASP A 72 8.763 15.643 5.995 1.00 0.00 H new ATOM 0 HA ASP A 72 9.727 18.405 5.369 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.283 16.364 3.754 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.581 16.618 4.083 1.00 0.00 H new ATOM 1181 N ILE A 73 6.740 17.775 6.545 1.00 0.00 N ATOM 1182 CA ILE A 73 5.545 18.480 7.107 1.00 0.00 C ATOM 1183 C ILE A 73 5.941 19.357 8.311 1.00 0.00 C ATOM 1184 O ILE A 73 5.217 20.258 8.691 1.00 0.00 O ATOM 1185 CB ILE A 73 4.553 17.359 7.492 1.00 0.00 C ATOM 1186 CG1 ILE A 73 3.135 17.936 7.520 1.00 0.00 C ATOM 1187 CG2 ILE A 73 4.882 16.753 8.867 1.00 0.00 C ATOM 1188 CD1 ILE A 73 2.571 17.966 6.097 1.00 0.00 C ATOM 0 H ILE A 73 6.727 16.759 6.635 1.00 0.00 H new ATOM 0 HA ILE A 73 5.093 19.166 6.391 1.00 0.00 H new ATOM 0 HB ILE A 73 4.632 16.565 6.749 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.497 17.331 8.163 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.148 18.942 7.939 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.162 15.969 9.101 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.886 16.329 8.847 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.832 17.531 9.629 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.561 18.376 6.114 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.205 18.590 5.467 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.544 16.953 5.695 1.00 0.00 H new