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 Set 1.1: A 58 TYR OH : rot 148:sc= -0.0035 USER MOD Set 1.2: A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 136:sc= -0.862 USER MOD Single : A 21 SER OG : rot 86:sc= 1.18 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.0988) USER MOD Single : A 28 LYS NZ :NH3+ 141:sc= -0.051 (180deg=-0.315) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -6.71! C(o=-6.7!,f=-13!) USER MOD Single : A 35 SER OG : rot 180:sc= 0.00978 USER MOD Single : A 39 THR OG1 : rot -168:sc= -1.83 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= -3.14 K(o=-3.1,f=-2.3) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 60 GLN : amide:sc= -3.83 K(o=-3.8,f=-6.3!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.046) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.222) USER MOD ----------------------------------------------------------------- ATOM 136 N PRO A 9 2.597 16.368 0.431 1.00 0.00 N ATOM 137 CA PRO A 9 2.327 14.915 0.582 1.00 0.00 C ATOM 138 C PRO A 9 0.906 14.679 1.105 1.00 0.00 C ATOM 139 O PRO A 9 0.581 15.036 2.220 1.00 0.00 O ATOM 140 CB PRO A 9 3.361 14.459 1.607 1.00 0.00 C ATOM 141 CG PRO A 9 3.693 15.685 2.394 1.00 0.00 C ATOM 142 CD PRO A 9 3.518 16.863 1.471 1.00 0.00 C ATOM 0 HA PRO A 9 2.397 14.372 -0.360 1.00 0.00 H new ATOM 0 HB2 PRO A 9 2.961 13.674 2.249 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.247 14.051 1.120 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.039 15.775 3.262 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.715 15.637 2.769 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.102 17.723 1.996 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.469 17.180 1.044 1.00 0.00 H new ATOM 150 N LYS A 10 0.058 14.088 0.297 1.00 0.00 N ATOM 151 CA LYS A 10 -1.349 13.828 0.732 1.00 0.00 C ATOM 152 C LYS A 10 -1.368 12.938 1.984 1.00 0.00 C ATOM 153 O LYS A 10 -0.385 12.827 2.691 1.00 0.00 O ATOM 154 CB LYS A 10 -2.020 13.121 -0.456 1.00 0.00 C ATOM 155 CG LYS A 10 -1.333 11.775 -0.732 1.00 0.00 C ATOM 156 CD LYS A 10 -1.126 11.594 -2.238 1.00 0.00 C ATOM 157 CE LYS A 10 -0.828 10.123 -2.539 1.00 0.00 C ATOM 158 NZ LYS A 10 -0.461 10.093 -3.982 1.00 0.00 N ATOM 0 H LYS A 10 0.282 13.774 -0.647 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.871 14.747 0.996 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.077 12.961 -0.243 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.966 13.753 -1.342 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.373 11.734 -0.217 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.940 10.960 -0.339 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.016 11.914 -2.779 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.302 12.220 -2.581 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.015 9.749 -1.917 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.696 9.495 -2.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.242 9.116 -4.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.257 10.448 -4.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.373 10.694 -4.141 1.00 0.00 H new ATOM 172 N ARG A 11 -2.480 12.302 2.260 1.00 0.00 N ATOM 173 CA ARG A 11 -2.568 11.419 3.468 1.00 0.00 C ATOM 174 C ARG A 11 -1.485 10.329 3.427 1.00 0.00 C ATOM 175 O ARG A 11 -1.101 9.889 2.363 1.00 0.00 O ATOM 176 CB ARG A 11 -3.956 10.776 3.391 1.00 0.00 C ATOM 177 CG ARG A 11 -5.000 11.712 4.014 1.00 0.00 C ATOM 178 CD ARG A 11 -6.228 11.794 3.101 1.00 0.00 C ATOM 179 NE ARG A 11 -6.812 13.140 3.361 1.00 0.00 N ATOM 180 CZ ARG A 11 -8.071 13.365 3.100 1.00 0.00 C ATOM 181 NH1 ARG A 11 -8.982 13.090 3.993 1.00 0.00 N ATOM 182 NH2 ARG A 11 -8.420 13.864 1.945 1.00 0.00 N ATOM 0 H ARG A 11 -3.332 12.355 1.702 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.419 11.982 4.389 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.214 10.570 2.352 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.953 9.820 3.915 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.290 11.345 4.999 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.574 12.705 4.157 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.949 11.680 2.053 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.943 11.003 3.328 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.229 13.885 3.742 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.710 12.699 4.895 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.966 13.266 3.789 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.709 14.078 1.246 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.404 14.040 1.742 1.00 0.00 H new ATOM 196 N PRO A 12 -1.031 9.913 4.591 1.00 0.00 N ATOM 197 CA PRO A 12 0.002 8.855 4.653 1.00 0.00 C ATOM 198 C PRO A 12 -0.643 7.485 4.377 1.00 0.00 C ATOM 199 O PRO A 12 -1.583 7.113 5.053 1.00 0.00 O ATOM 200 CB PRO A 12 0.515 8.929 6.085 1.00 0.00 C ATOM 201 CG PRO A 12 -0.606 9.523 6.873 1.00 0.00 C ATOM 202 CD PRO A 12 -1.422 10.375 5.934 1.00 0.00 C ATOM 0 HA PRO A 12 0.798 8.984 3.919 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.779 7.940 6.460 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.412 9.545 6.151 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.223 8.739 7.312 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.219 10.123 7.696 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.491 10.244 6.104 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.206 11.435 6.069 1.00 0.00 H new ATOM 210 N PRO A 13 -0.133 6.772 3.395 1.00 0.00 N ATOM 211 CA PRO A 13 -0.704 5.448 3.064 1.00 0.00 C ATOM 212 C PRO A 13 -0.158 4.384 4.020 1.00 0.00 C ATOM 213 O PRO A 13 0.668 4.669 4.868 1.00 0.00 O ATOM 214 CB PRO A 13 -0.234 5.203 1.635 1.00 0.00 C ATOM 215 CG PRO A 13 1.009 6.025 1.470 1.00 0.00 C ATOM 216 CD PRO A 13 0.994 7.113 2.517 1.00 0.00 C ATOM 0 HA PRO A 13 -1.789 5.407 3.156 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.030 4.146 1.466 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.997 5.499 0.916 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.896 5.401 1.582 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.049 6.459 0.471 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.932 7.142 3.071 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.860 8.096 2.065 1.00 0.00 H new ATOM 224 N SER A 14 -0.615 3.163 3.894 1.00 0.00 N ATOM 225 CA SER A 14 -0.125 2.080 4.801 1.00 0.00 C ATOM 226 C SER A 14 -0.557 0.703 4.283 1.00 0.00 C ATOM 227 O SER A 14 -1.270 -0.022 4.949 1.00 0.00 O ATOM 228 CB SER A 14 -0.778 2.376 6.152 1.00 0.00 C ATOM 229 OG SER A 14 -0.146 1.596 7.158 1.00 0.00 O ATOM 0 H SER A 14 -1.306 2.870 3.203 1.00 0.00 H new ATOM 0 HA SER A 14 0.963 2.059 4.865 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.689 3.436 6.388 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.843 2.147 6.113 1.00 0.00 H new ATOM 0 HG SER A 14 -0.560 1.784 8.026 1.00 0.00 H new ATOM 235 N ALA A 15 -0.142 0.340 3.087 1.00 0.00 N ATOM 236 CA ALA A 15 -0.522 -0.985 2.488 1.00 0.00 C ATOM 237 C ALA A 15 -2.007 -0.992 2.128 1.00 0.00 C ATOM 238 O ALA A 15 -2.363 -0.907 0.968 1.00 0.00 O ATOM 239 CB ALA A 15 -0.194 -2.073 3.526 1.00 0.00 C ATOM 0 H ALA A 15 0.453 0.916 2.492 1.00 0.00 H new ATOM 0 HA ALA A 15 0.033 -1.172 1.569 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.458 -3.051 3.124 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.872 -2.050 3.753 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.763 -1.890 4.437 1.00 0.00 H new ATOM 245 N PHE A 16 -2.878 -1.100 3.103 1.00 0.00 N ATOM 246 CA PHE A 16 -4.354 -1.121 2.813 1.00 0.00 C ATOM 247 C PHE A 16 -4.752 0.024 1.874 1.00 0.00 C ATOM 248 O PHE A 16 -5.407 -0.189 0.871 1.00 0.00 O ATOM 249 CB PHE A 16 -5.023 -0.932 4.171 1.00 0.00 C ATOM 250 CG PHE A 16 -6.492 -1.261 4.055 1.00 0.00 C ATOM 251 CD1 PHE A 16 -6.892 -2.514 3.577 1.00 0.00 C ATOM 252 CD2 PHE A 16 -7.453 -0.311 4.420 1.00 0.00 C ATOM 253 CE1 PHE A 16 -8.254 -2.818 3.465 1.00 0.00 C ATOM 254 CE2 PHE A 16 -8.815 -0.615 4.308 1.00 0.00 C ATOM 255 CZ PHE A 16 -9.215 -1.869 3.830 1.00 0.00 C ATOM 0 H PHE A 16 -2.633 -1.175 4.090 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.650 -2.047 2.320 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.552 -1.576 4.914 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.895 0.095 4.512 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -6.150 -3.246 3.295 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -7.144 0.656 4.788 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -8.563 -3.785 3.097 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -9.557 0.117 4.590 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.266 -2.104 3.743 1.00 0.00 H new ATOM 265 N PHE A 17 -4.351 1.230 2.188 1.00 0.00 N ATOM 266 CA PHE A 17 -4.694 2.390 1.308 1.00 0.00 C ATOM 267 C PHE A 17 -4.134 2.149 -0.095 1.00 0.00 C ATOM 268 O PHE A 17 -4.779 2.427 -1.088 1.00 0.00 O ATOM 269 CB PHE A 17 -4.019 3.605 1.954 1.00 0.00 C ATOM 270 CG PHE A 17 -5.042 4.413 2.716 1.00 0.00 C ATOM 271 CD1 PHE A 17 -5.816 5.370 2.048 1.00 0.00 C ATOM 272 CD2 PHE A 17 -5.218 4.205 4.088 1.00 0.00 C ATOM 273 CE1 PHE A 17 -6.765 6.120 2.754 1.00 0.00 C ATOM 274 CE2 PHE A 17 -6.167 4.954 4.795 1.00 0.00 C ATOM 275 CZ PHE A 17 -6.941 5.912 4.128 1.00 0.00 C ATOM 0 H PHE A 17 -3.801 1.462 3.015 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.770 2.536 1.212 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.226 3.277 2.627 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.551 4.223 1.188 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -5.681 5.530 0.988 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.622 3.466 4.603 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.361 6.859 2.239 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.302 4.793 5.854 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.673 6.490 4.673 1.00 0.00 H new ATOM 285 N LEU A 18 -2.936 1.627 -0.177 1.00 0.00 N ATOM 286 CA LEU A 18 -2.318 1.354 -1.511 1.00 0.00 C ATOM 287 C LEU A 18 -3.167 0.341 -2.280 1.00 0.00 C ATOM 288 O LEU A 18 -3.459 0.523 -3.446 1.00 0.00 O ATOM 289 CB LEU A 18 -0.929 0.761 -1.219 1.00 0.00 C ATOM 290 CG LEU A 18 -0.099 1.697 -0.322 1.00 0.00 C ATOM 291 CD1 LEU A 18 1.308 1.121 -0.164 1.00 0.00 C ATOM 292 CD2 LEU A 18 0.001 3.089 -0.959 1.00 0.00 C ATOM 0 H LEU A 18 -2.357 1.377 0.625 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.250 2.258 -2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.040 -0.208 -0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.400 0.589 -2.156 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.584 1.781 0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.902 1.779 0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.248 0.134 0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.780 1.039 -1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.590 3.742 -0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.482 3.009 -1.934 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.999 3.506 -1.081 1.00 0.00 H new ATOM 304 N PHE A 19 -3.562 -0.724 -1.630 1.00 0.00 N ATOM 305 CA PHE A 19 -4.394 -1.764 -2.312 1.00 0.00 C ATOM 306 C PHE A 19 -5.764 -1.189 -2.680 1.00 0.00 C ATOM 307 O PHE A 19 -6.211 -1.302 -3.805 1.00 0.00 O ATOM 308 CB PHE A 19 -4.547 -2.892 -1.288 1.00 0.00 C ATOM 309 CG PHE A 19 -5.286 -4.050 -1.914 1.00 0.00 C ATOM 310 CD1 PHE A 19 -6.674 -3.982 -2.094 1.00 0.00 C ATOM 311 CD2 PHE A 19 -4.584 -5.193 -2.315 1.00 0.00 C ATOM 312 CE1 PHE A 19 -7.357 -5.057 -2.674 1.00 0.00 C ATOM 313 CE2 PHE A 19 -5.268 -6.268 -2.895 1.00 0.00 C ATOM 314 CZ PHE A 19 -6.655 -6.200 -3.074 1.00 0.00 C ATOM 0 H PHE A 19 -3.344 -0.920 -0.653 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.935 -2.113 -3.237 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.566 -3.218 -0.942 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.089 -2.532 -0.414 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.216 -3.101 -1.785 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.514 -5.245 -2.177 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.427 -5.005 -2.813 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.726 -7.149 -3.204 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.183 -7.029 -3.521 1.00 0.00 H new ATOM 324 N CYS A 20 -6.428 -0.575 -1.736 1.00 0.00 N ATOM 325 CA CYS A 20 -7.774 0.013 -2.022 1.00 0.00 C ATOM 326 C CYS A 20 -7.642 1.165 -3.020 1.00 0.00 C ATOM 327 O CYS A 20 -8.550 1.448 -3.779 1.00 0.00 O ATOM 328 CB CYS A 20 -8.284 0.528 -0.673 1.00 0.00 C ATOM 329 SG CYS A 20 -9.309 -0.739 0.115 1.00 0.00 S ATOM 0 H CYS A 20 -6.098 -0.454 -0.778 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.456 -0.715 -2.461 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.443 0.782 -0.028 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.863 1.441 -0.816 1.00 0.00 H new ATOM 0 HG CYS A 20 -9.002 -0.824 1.375 1.00 0.00 H new ATOM 335 N SER A 21 -6.519 1.833 -3.018 1.00 0.00 N ATOM 336 CA SER A 21 -6.318 2.976 -3.961 1.00 0.00 C ATOM 337 C SER A 21 -6.243 2.479 -5.408 1.00 0.00 C ATOM 338 O SER A 21 -6.496 3.227 -6.335 1.00 0.00 O ATOM 339 CB SER A 21 -4.988 3.607 -3.550 1.00 0.00 C ATOM 340 OG SER A 21 -5.208 4.507 -2.472 1.00 0.00 O ATOM 0 H SER A 21 -5.729 1.637 -2.403 1.00 0.00 H new ATOM 0 HA SER A 21 -7.143 3.687 -3.914 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.281 2.832 -3.253 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.546 4.135 -4.395 1.00 0.00 H new ATOM 0 HG SER A 21 -5.185 4.015 -1.625 1.00 0.00 H new ATOM 346 N GLU A 22 -5.885 1.235 -5.613 1.00 0.00 N ATOM 347 CA GLU A 22 -5.778 0.710 -7.009 1.00 0.00 C ATOM 348 C GLU A 22 -6.889 -0.305 -7.313 1.00 0.00 C ATOM 349 O GLU A 22 -7.277 -0.472 -8.455 1.00 0.00 O ATOM 350 CB GLU A 22 -4.396 0.048 -7.085 1.00 0.00 C ATOM 351 CG GLU A 22 -4.312 -1.123 -6.100 1.00 0.00 C ATOM 352 CD GLU A 22 -3.046 -1.937 -6.381 1.00 0.00 C ATOM 353 OE1 GLU A 22 -2.810 -2.246 -7.537 1.00 0.00 O ATOM 354 OE2 GLU A 22 -2.336 -2.236 -5.435 1.00 0.00 O ATOM 0 H GLU A 22 -5.663 0.564 -4.878 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.891 1.506 -7.745 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.211 -0.307 -8.099 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.621 0.780 -6.857 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.298 -0.750 -5.076 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.194 -1.757 -6.196 1.00 0.00 H new ATOM 361 N TYR A 23 -7.392 -0.995 -6.317 1.00 0.00 N ATOM 362 CA TYR A 23 -8.465 -2.007 -6.574 1.00 0.00 C ATOM 363 C TYR A 23 -9.836 -1.333 -6.679 1.00 0.00 C ATOM 364 O TYR A 23 -10.665 -1.730 -7.473 1.00 0.00 O ATOM 365 CB TYR A 23 -8.420 -2.949 -5.369 1.00 0.00 C ATOM 366 CG TYR A 23 -7.530 -4.128 -5.683 1.00 0.00 C ATOM 367 CD1 TYR A 23 -8.073 -5.278 -6.268 1.00 0.00 C ATOM 368 CD2 TYR A 23 -6.162 -4.071 -5.389 1.00 0.00 C ATOM 369 CE1 TYR A 23 -7.247 -6.371 -6.560 1.00 0.00 C ATOM 370 CE2 TYR A 23 -5.337 -5.163 -5.681 1.00 0.00 C ATOM 371 CZ TYR A 23 -5.879 -6.312 -6.267 1.00 0.00 C ATOM 372 OH TYR A 23 -5.065 -7.389 -6.554 1.00 0.00 O ATOM 0 H TYR A 23 -7.107 -0.902 -5.342 1.00 0.00 H new ATOM 0 HA TYR A 23 -8.307 -2.535 -7.514 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.044 -2.419 -4.494 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -9.425 -3.293 -5.126 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.128 -5.323 -6.494 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.744 -3.184 -4.937 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.665 -7.259 -7.011 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -4.282 -5.119 -5.454 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.144 -7.183 -6.289 1.00 0.00 H new ATOM 382 N ARG A 24 -10.084 -0.318 -5.884 1.00 0.00 N ATOM 383 CA ARG A 24 -11.402 0.386 -5.933 1.00 0.00 C ATOM 384 C ARG A 24 -11.805 0.747 -7.375 1.00 0.00 C ATOM 385 O ARG A 24 -12.892 0.406 -7.784 1.00 0.00 O ATOM 386 CB ARG A 24 -11.229 1.649 -5.096 1.00 0.00 C ATOM 387 CG ARG A 24 -11.284 1.287 -3.611 1.00 0.00 C ATOM 388 CD ARG A 24 -10.985 2.529 -2.767 1.00 0.00 C ATOM 389 NE ARG A 24 -11.960 2.476 -1.643 1.00 0.00 N ATOM 390 CZ ARG A 24 -11.542 2.257 -0.427 1.00 0.00 C ATOM 391 NH1 ARG A 24 -10.894 3.188 0.217 1.00 0.00 N ATOM 392 NH2 ARG A 24 -11.773 1.108 0.146 1.00 0.00 N ATOM 0 H ARG A 24 -9.425 0.053 -5.200 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.196 -0.255 -5.549 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.277 2.126 -5.330 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.013 2.367 -5.336 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.268 0.892 -3.359 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.560 0.503 -3.391 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.959 2.519 -2.400 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.106 3.441 -3.351 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.955 2.611 -1.824 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.714 4.087 -0.230 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.567 3.017 1.168 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.281 0.380 -0.357 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.446 0.937 1.097 1.00 0.00 H new ATOM 406 N PRO A 25 -10.924 1.402 -8.118 1.00 0.00 N ATOM 407 CA PRO A 25 -11.258 1.766 -9.526 1.00 0.00 C ATOM 408 C PRO A 25 -11.552 0.502 -10.332 1.00 0.00 C ATOM 409 O PRO A 25 -12.331 0.519 -11.267 1.00 0.00 O ATOM 410 CB PRO A 25 -10.012 2.504 -10.018 1.00 0.00 C ATOM 411 CG PRO A 25 -8.923 2.027 -9.120 1.00 0.00 C ATOM 412 CD PRO A 25 -9.563 1.846 -7.769 1.00 0.00 C ATOM 0 HA PRO A 25 -12.149 2.386 -9.625 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.798 2.271 -11.061 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.138 3.585 -9.952 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.499 1.090 -9.482 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.108 2.749 -9.074 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.037 1.106 -7.166 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.573 2.774 -7.197 1.00 0.00 H new ATOM 420 N LYS A 26 -10.971 -0.602 -9.941 1.00 0.00 N ATOM 421 CA LYS A 26 -11.257 -1.886 -10.643 1.00 0.00 C ATOM 422 C LYS A 26 -12.672 -2.313 -10.273 1.00 0.00 C ATOM 423 O LYS A 26 -13.478 -2.663 -11.113 1.00 0.00 O ATOM 424 CB LYS A 26 -10.253 -2.886 -10.080 1.00 0.00 C ATOM 425 CG LYS A 26 -10.123 -4.075 -11.033 1.00 0.00 C ATOM 426 CD LYS A 26 -11.280 -5.048 -10.795 1.00 0.00 C ATOM 427 CE LYS A 26 -10.965 -6.389 -11.462 1.00 0.00 C ATOM 428 NZ LYS A 26 -10.102 -7.111 -10.487 1.00 0.00 N ATOM 0 H LYS A 26 -10.311 -0.669 -9.166 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.178 -1.811 -11.728 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.283 -2.407 -9.946 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.578 -3.228 -9.097 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.131 -3.729 -12.067 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.170 -4.580 -10.874 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.436 -5.190 -9.726 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.204 -4.636 -11.200 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.876 -6.949 -11.673 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.452 -6.246 -12.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.365 -7.638 -10.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.655 -6.426 -9.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.682 -7.775 -9.935 1.00 0.00 H new ATOM 442 N ILE A 27 -12.968 -2.279 -8.998 1.00 0.00 N ATOM 443 CA ILE A 27 -14.326 -2.671 -8.510 1.00 0.00 C ATOM 444 C ILE A 27 -15.410 -1.858 -9.229 1.00 0.00 C ATOM 445 O ILE A 27 -16.510 -2.328 -9.434 1.00 0.00 O ATOM 446 CB ILE A 27 -14.328 -2.314 -7.008 1.00 0.00 C ATOM 447 CG1 ILE A 27 -13.292 -3.165 -6.256 1.00 0.00 C ATOM 448 CG2 ILE A 27 -15.722 -2.548 -6.402 1.00 0.00 C ATOM 449 CD1 ILE A 27 -13.654 -4.648 -6.347 1.00 0.00 C ATOM 0 H ILE A 27 -12.318 -1.993 -8.265 1.00 0.00 H new ATOM 0 HA ILE A 27 -14.532 -3.726 -8.693 1.00 0.00 H new ATOM 0 HB ILE A 27 -14.068 -1.260 -6.907 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -12.301 -2.999 -6.678 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -13.249 -2.858 -5.211 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -15.706 -2.292 -5.343 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -16.452 -1.922 -6.916 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -15.998 -3.596 -6.517 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.911 -5.238 -5.810 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -14.636 -4.811 -5.903 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.673 -4.954 -7.393 1.00 0.00 H new ATOM 461 N LYS A 28 -15.116 -0.633 -9.570 1.00 0.00 N ATOM 462 CA LYS A 28 -16.145 0.226 -10.223 1.00 0.00 C ATOM 463 C LYS A 28 -16.463 -0.296 -11.628 1.00 0.00 C ATOM 464 O LYS A 28 -17.571 -0.158 -12.111 1.00 0.00 O ATOM 465 CB LYS A 28 -15.549 1.650 -10.293 1.00 0.00 C ATOM 466 CG LYS A 28 -14.854 2.106 -8.980 1.00 0.00 C ATOM 467 CD LYS A 28 -15.455 1.484 -7.699 1.00 0.00 C ATOM 468 CE LYS A 28 -16.960 1.760 -7.636 1.00 0.00 C ATOM 469 NZ LYS A 28 -17.095 2.943 -6.742 1.00 0.00 N ATOM 0 H LYS A 28 -14.209 -0.190 -9.425 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.078 0.221 -9.660 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.827 1.691 -11.108 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.344 2.355 -10.535 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.796 1.850 -9.034 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.916 3.192 -8.907 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.274 0.409 -7.688 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -14.964 1.899 -6.819 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.366 1.965 -8.627 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -17.503 0.902 -7.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.835 3.574 -7.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.354 2.628 -5.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.190 3.455 -6.704 1.00 0.00 H new ATOM 483 N SER A 29 -15.500 -0.889 -12.285 1.00 0.00 N ATOM 484 CA SER A 29 -15.741 -1.419 -13.662 1.00 0.00 C ATOM 485 C SER A 29 -16.410 -2.800 -13.616 1.00 0.00 C ATOM 486 O SER A 29 -16.967 -3.255 -14.598 1.00 0.00 O ATOM 487 CB SER A 29 -14.353 -1.523 -14.294 1.00 0.00 C ATOM 488 OG SER A 29 -14.484 -1.606 -15.706 1.00 0.00 O ATOM 0 H SER A 29 -14.555 -1.030 -11.927 1.00 0.00 H new ATOM 0 HA SER A 29 -16.410 -0.772 -14.230 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.752 -0.655 -14.024 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.833 -2.402 -13.913 1.00 0.00 H new ATOM 0 HG SER A 29 -13.595 -1.671 -16.114 1.00 0.00 H new ATOM 494 N GLU A 30 -16.355 -3.476 -12.491 1.00 0.00 N ATOM 495 CA GLU A 30 -16.981 -4.832 -12.396 1.00 0.00 C ATOM 496 C GLU A 30 -18.158 -4.837 -11.409 1.00 0.00 C ATOM 497 O GLU A 30 -18.962 -5.751 -11.405 1.00 0.00 O ATOM 498 CB GLU A 30 -15.861 -5.742 -11.894 1.00 0.00 C ATOM 499 CG GLU A 30 -14.833 -5.951 -13.006 1.00 0.00 C ATOM 500 CD GLU A 30 -15.310 -7.066 -13.939 1.00 0.00 C ATOM 501 OE1 GLU A 30 -16.084 -6.773 -14.836 1.00 0.00 O ATOM 502 OE2 GLU A 30 -14.893 -8.196 -13.740 1.00 0.00 O ATOM 0 H GLU A 30 -15.904 -3.147 -11.637 1.00 0.00 H new ATOM 0 HA GLU A 30 -17.387 -5.156 -13.354 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.382 -5.299 -11.021 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -16.272 -6.701 -11.579 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.696 -5.027 -13.567 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.865 -6.210 -12.577 1.00 0.00 H new ATOM 509 N HIS A 31 -18.265 -3.833 -10.573 1.00 0.00 N ATOM 510 CA HIS A 31 -19.390 -3.790 -9.584 1.00 0.00 C ATOM 511 C HIS A 31 -20.278 -2.562 -9.863 1.00 0.00 C ATOM 512 O HIS A 31 -20.008 -1.488 -9.363 1.00 0.00 O ATOM 513 CB HIS A 31 -18.723 -3.679 -8.203 1.00 0.00 C ATOM 514 CG HIS A 31 -17.718 -4.780 -8.010 1.00 0.00 C ATOM 515 ND1 HIS A 31 -16.537 -4.827 -8.724 1.00 0.00 N ATOM 516 CD2 HIS A 31 -17.694 -5.864 -7.168 1.00 0.00 C ATOM 517 CE1 HIS A 31 -15.853 -5.902 -8.302 1.00 0.00 C ATOM 518 NE2 HIS A 31 -16.512 -6.572 -7.355 1.00 0.00 N ATOM 0 H HIS A 31 -17.623 -3.041 -10.532 1.00 0.00 H new ATOM 0 HA HIS A 31 -20.028 -4.672 -9.644 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.232 -2.711 -8.107 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -19.481 -3.731 -7.422 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -16.239 -4.166 -9.441 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -18.473 -6.127 -6.468 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -14.885 -6.190 -8.684 1.00 0.00 H new ATOM 526 N PRO A 32 -21.307 -2.750 -10.669 1.00 0.00 N ATOM 527 CA PRO A 32 -22.212 -1.625 -11.014 1.00 0.00 C ATOM 528 C PRO A 32 -23.192 -1.313 -9.871 1.00 0.00 C ATOM 529 O PRO A 32 -23.070 -0.302 -9.206 1.00 0.00 O ATOM 530 CB PRO A 32 -22.946 -2.122 -12.258 1.00 0.00 C ATOM 531 CG PRO A 32 -22.891 -3.618 -12.195 1.00 0.00 C ATOM 532 CD PRO A 32 -21.719 -4.004 -11.325 1.00 0.00 C ATOM 0 HA PRO A 32 -21.674 -0.693 -11.185 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -23.977 -1.769 -12.271 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -22.471 -1.751 -13.166 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -23.819 -4.017 -11.784 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -22.779 -4.038 -13.195 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -22.003 -4.759 -10.592 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -20.908 -4.425 -11.919 1.00 0.00 H new ATOM 540 N GLY A 33 -24.162 -2.167 -9.640 1.00 0.00 N ATOM 541 CA GLY A 33 -25.152 -1.915 -8.543 1.00 0.00 C ATOM 542 C GLY A 33 -24.431 -1.732 -7.202 1.00 0.00 C ATOM 543 O GLY A 33 -24.958 -1.138 -6.282 1.00 0.00 O ATOM 0 H GLY A 33 -24.311 -3.029 -10.165 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -25.739 -1.025 -8.772 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -25.850 -2.749 -8.476 1.00 0.00 H new ATOM 547 N LEU A 34 -23.227 -2.232 -7.092 1.00 0.00 N ATOM 548 CA LEU A 34 -22.446 -2.090 -5.822 1.00 0.00 C ATOM 549 C LEU A 34 -22.365 -0.615 -5.391 1.00 0.00 C ATOM 550 O LEU A 34 -21.504 0.126 -5.821 1.00 0.00 O ATOM 551 CB LEU A 34 -21.065 -2.639 -6.180 1.00 0.00 C ATOM 552 CG LEU A 34 -20.105 -2.526 -4.996 1.00 0.00 C ATOM 553 CD1 LEU A 34 -19.160 -3.728 -4.968 1.00 0.00 C ATOM 554 CD2 LEU A 34 -19.280 -1.253 -5.135 1.00 0.00 C ATOM 0 H LEU A 34 -22.745 -2.738 -7.835 1.00 0.00 H new ATOM 0 HA LEU A 34 -22.900 -2.618 -4.983 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -21.152 -3.682 -6.483 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -20.662 -2.092 -7.032 1.00 0.00 H new ATOM 0 HG LEU A 34 -20.684 -2.500 -4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -18.481 -3.637 -4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -19.741 -4.645 -4.871 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -18.584 -3.760 -5.893 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -18.594 -1.170 -4.292 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -18.710 -1.288 -6.064 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -19.944 -0.389 -5.149 1.00 0.00 H new ATOM 566 N SER A 35 -23.283 -0.187 -4.561 1.00 0.00 N ATOM 567 CA SER A 35 -23.286 1.240 -4.101 1.00 0.00 C ATOM 568 C SER A 35 -21.952 1.579 -3.425 1.00 0.00 C ATOM 569 O SER A 35 -21.105 0.724 -3.251 1.00 0.00 O ATOM 570 CB SER A 35 -24.434 1.335 -3.094 1.00 0.00 C ATOM 571 OG SER A 35 -25.625 0.843 -3.692 1.00 0.00 O ATOM 0 H SER A 35 -24.033 -0.764 -4.180 1.00 0.00 H new ATOM 0 HA SER A 35 -23.413 1.938 -4.928 1.00 0.00 H new ATOM 0 HB2 SER A 35 -24.197 0.758 -2.200 1.00 0.00 H new ATOM 0 HB3 SER A 35 -24.572 2.369 -2.779 1.00 0.00 H new ATOM 0 HG SER A 35 -26.362 0.901 -3.049 1.00 0.00 H new ATOM 577 N ILE A 36 -21.758 2.820 -3.044 1.00 0.00 N ATOM 578 CA ILE A 36 -20.472 3.214 -2.379 1.00 0.00 C ATOM 579 C ILE A 36 -20.227 2.347 -1.138 1.00 0.00 C ATOM 580 O ILE A 36 -19.240 1.644 -1.048 1.00 0.00 O ATOM 581 CB ILE A 36 -20.654 4.693 -1.985 1.00 0.00 C ATOM 582 CG1 ILE A 36 -20.539 5.581 -3.235 1.00 0.00 C ATOM 583 CG2 ILE A 36 -19.587 5.112 -0.955 1.00 0.00 C ATOM 584 CD1 ILE A 36 -19.155 5.422 -3.881 1.00 0.00 C ATOM 0 H ILE A 36 -22.432 3.576 -3.164 1.00 0.00 H new ATOM 0 HA ILE A 36 -19.612 3.075 -3.034 1.00 0.00 H new ATOM 0 HB ILE A 36 -21.641 4.816 -1.539 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -21.315 5.312 -3.952 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -20.703 6.624 -2.964 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -19.730 6.159 -0.688 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -19.681 4.494 -0.062 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -18.594 4.980 -1.385 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -19.091 6.057 -4.764 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -18.385 5.714 -3.167 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -19.006 4.382 -4.171 1.00 0.00 H new ATOM 596 N GLY A 37 -21.117 2.416 -0.177 1.00 0.00 N ATOM 597 CA GLY A 37 -20.954 1.622 1.081 1.00 0.00 C ATOM 598 C GLY A 37 -20.627 0.166 0.751 1.00 0.00 C ATOM 599 O GLY A 37 -19.809 -0.453 1.396 1.00 0.00 O ATOM 0 H GLY A 37 -21.957 2.994 -0.211 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -20.158 2.052 1.690 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -21.869 1.671 1.671 1.00 0.00 H new ATOM 603 N ASP A 38 -21.233 -0.367 -0.277 1.00 0.00 N ATOM 604 CA ASP A 38 -20.937 -1.774 -0.668 1.00 0.00 C ATOM 605 C ASP A 38 -19.484 -1.886 -1.134 1.00 0.00 C ATOM 606 O ASP A 38 -18.819 -2.859 -0.871 1.00 0.00 O ATOM 607 CB ASP A 38 -21.896 -2.086 -1.821 1.00 0.00 C ATOM 608 CG ASP A 38 -23.317 -2.245 -1.275 1.00 0.00 C ATOM 609 OD1 ASP A 38 -23.534 -3.162 -0.501 1.00 0.00 O ATOM 610 OD2 ASP A 38 -24.163 -1.446 -1.642 1.00 0.00 O ATOM 0 H ASP A 38 -21.919 0.111 -0.861 1.00 0.00 H new ATOM 0 HA ASP A 38 -21.067 -2.470 0.161 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -21.866 -1.285 -2.559 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -21.586 -2.999 -2.329 1.00 0.00 H new ATOM 615 N THR A 39 -18.989 -0.880 -1.806 1.00 0.00 N ATOM 616 CA THR A 39 -17.571 -0.914 -2.291 1.00 0.00 C ATOM 617 C THR A 39 -16.600 -1.028 -1.114 1.00 0.00 C ATOM 618 O THR A 39 -15.580 -1.686 -1.205 1.00 0.00 O ATOM 619 CB THR A 39 -17.332 0.413 -3.032 1.00 0.00 C ATOM 620 OG1 THR A 39 -18.565 0.977 -3.461 1.00 0.00 O ATOM 621 CG2 THR A 39 -16.432 0.165 -4.245 1.00 0.00 C ATOM 0 H THR A 39 -19.505 -0.032 -2.042 1.00 0.00 H new ATOM 0 HA THR A 39 -17.405 -1.774 -2.940 1.00 0.00 H new ATOM 0 HB THR A 39 -16.848 1.112 -2.350 1.00 0.00 H new ATOM 0 HG1 THR A 39 -18.389 1.710 -4.087 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.262 1.105 -4.770 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.477 -0.242 -3.912 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.915 -0.544 -4.917 1.00 0.00 H new ATOM 629 N ALA A 40 -16.906 -0.390 -0.015 1.00 0.00 N ATOM 630 CA ALA A 40 -15.999 -0.453 1.171 1.00 0.00 C ATOM 631 C ALA A 40 -16.142 -1.802 1.875 1.00 0.00 C ATOM 632 O ALA A 40 -15.165 -2.465 2.171 1.00 0.00 O ATOM 633 CB ALA A 40 -16.457 0.681 2.090 1.00 0.00 C ATOM 0 H ALA A 40 -17.747 0.173 0.114 1.00 0.00 H new ATOM 0 HA ALA A 40 -14.951 -0.349 0.890 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.835 0.697 2.985 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.365 1.633 1.567 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -17.497 0.522 2.374 1.00 0.00 H new ATOM 639 N LYS A 41 -17.354 -2.207 2.151 1.00 0.00 N ATOM 640 CA LYS A 41 -17.571 -3.512 2.846 1.00 0.00 C ATOM 641 C LYS A 41 -17.343 -4.698 1.892 1.00 0.00 C ATOM 642 O LYS A 41 -17.222 -5.827 2.332 1.00 0.00 O ATOM 643 CB LYS A 41 -19.017 -3.476 3.362 1.00 0.00 C ATOM 644 CG LYS A 41 -20.003 -3.409 2.193 1.00 0.00 C ATOM 645 CD LYS A 41 -21.397 -3.033 2.713 1.00 0.00 C ATOM 646 CE LYS A 41 -21.379 -1.620 3.319 1.00 0.00 C ATOM 647 NZ LYS A 41 -21.858 -1.791 4.720 1.00 0.00 N ATOM 0 H LYS A 41 -18.204 -1.691 1.925 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.863 -3.650 3.664 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -19.217 -4.363 3.963 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -19.156 -2.612 4.012 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -19.666 -2.674 1.462 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -20.042 -4.371 1.682 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -22.120 -3.077 1.899 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -21.719 -3.754 3.465 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -20.376 -1.194 3.295 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -22.027 -0.944 2.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -21.872 -0.867 5.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -22.818 -2.192 4.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -21.219 -2.434 5.229 1.00 0.00 H new ATOM 661 N LYS A 42 -17.268 -4.464 0.598 1.00 0.00 N ATOM 662 CA LYS A 42 -17.032 -5.594 -0.356 1.00 0.00 C ATOM 663 C LYS A 42 -15.532 -5.876 -0.466 1.00 0.00 C ATOM 664 O LYS A 42 -15.077 -6.966 -0.178 1.00 0.00 O ATOM 665 CB LYS A 42 -17.596 -5.119 -1.705 1.00 0.00 C ATOM 666 CG LYS A 42 -17.423 -6.204 -2.780 1.00 0.00 C ATOM 667 CD LYS A 42 -18.068 -7.519 -2.317 1.00 0.00 C ATOM 668 CE LYS A 42 -18.789 -8.183 -3.490 1.00 0.00 C ATOM 669 NZ LYS A 42 -18.486 -9.635 -3.354 1.00 0.00 N ATOM 0 H LYS A 42 -17.360 -3.544 0.167 1.00 0.00 H new ATOM 0 HA LYS A 42 -17.510 -6.517 -0.028 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -18.652 -4.873 -1.597 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -17.087 -4.207 -2.017 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.879 -5.876 -3.714 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.363 -6.361 -2.981 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -17.305 -8.189 -1.921 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -18.772 -7.324 -1.508 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -19.862 -7.998 -3.450 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -18.434 -7.793 -4.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.947 -10.160 -4.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.457 -9.781 -3.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -18.842 -9.980 -2.440 1.00 0.00 H new ATOM 683 N LEU A 43 -14.762 -4.900 -0.887 1.00 0.00 N ATOM 684 CA LEU A 43 -13.279 -5.096 -1.027 1.00 0.00 C ATOM 685 C LEU A 43 -12.683 -5.722 0.243 1.00 0.00 C ATOM 686 O LEU A 43 -11.694 -6.429 0.191 1.00 0.00 O ATOM 687 CB LEU A 43 -12.709 -3.692 -1.235 1.00 0.00 C ATOM 688 CG LEU A 43 -12.878 -3.282 -2.698 1.00 0.00 C ATOM 689 CD1 LEU A 43 -12.819 -1.757 -2.809 1.00 0.00 C ATOM 690 CD2 LEU A 43 -11.752 -3.898 -3.531 1.00 0.00 C ATOM 0 H LEU A 43 -15.097 -3.971 -1.141 1.00 0.00 H new ATOM 0 HA LEU A 43 -13.041 -5.769 -1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -13.220 -2.981 -0.586 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.654 -3.672 -0.961 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.840 -3.636 -3.068 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.939 -1.463 -3.852 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.619 -1.318 -2.213 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.856 -1.402 -2.441 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.870 -3.607 -4.575 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.790 -3.542 -3.162 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.792 -4.984 -3.450 1.00 0.00 H new ATOM 702 N GLY A 44 -13.283 -5.465 1.378 1.00 0.00 N ATOM 703 CA GLY A 44 -12.763 -6.039 2.654 1.00 0.00 C ATOM 704 C GLY A 44 -12.857 -7.565 2.601 1.00 0.00 C ATOM 705 O GLY A 44 -11.985 -8.267 3.076 1.00 0.00 O ATOM 0 H GLY A 44 -14.113 -4.880 1.475 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.728 -5.733 2.808 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.338 -5.657 3.498 1.00 0.00 H new ATOM 709 N GLU A 45 -13.918 -8.084 2.029 1.00 0.00 N ATOM 710 CA GLU A 45 -14.091 -9.573 1.941 1.00 0.00 C ATOM 711 C GLU A 45 -12.834 -10.241 1.365 1.00 0.00 C ATOM 712 O GLU A 45 -12.486 -11.346 1.735 1.00 0.00 O ATOM 713 CB GLU A 45 -15.280 -9.783 1.000 1.00 0.00 C ATOM 714 CG GLU A 45 -16.021 -11.064 1.389 1.00 0.00 C ATOM 715 CD GLU A 45 -16.794 -10.832 2.687 1.00 0.00 C ATOM 716 OE1 GLU A 45 -16.184 -10.917 3.741 1.00 0.00 O ATOM 717 OE2 GLU A 45 -17.984 -10.575 2.607 1.00 0.00 O ATOM 0 H GLU A 45 -14.676 -7.539 1.617 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.257 -10.015 2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.955 -8.929 1.055 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.933 -9.850 -0.031 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.706 -11.357 0.593 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.312 -11.882 1.517 1.00 0.00 H new ATOM 724 N MET A 46 -12.158 -9.577 0.462 1.00 0.00 N ATOM 725 CA MET A 46 -10.928 -10.167 -0.145 1.00 0.00 C ATOM 726 C MET A 46 -9.701 -9.852 0.716 1.00 0.00 C ATOM 727 O MET A 46 -8.841 -10.690 0.913 1.00 0.00 O ATOM 728 CB MET A 46 -10.804 -9.500 -1.515 1.00 0.00 C ATOM 729 CG MET A 46 -11.977 -9.926 -2.399 1.00 0.00 C ATOM 730 SD MET A 46 -11.854 -9.097 -4.004 1.00 0.00 S ATOM 731 CE MET A 46 -12.776 -10.323 -4.964 1.00 0.00 C ATOM 0 H MET A 46 -12.406 -8.649 0.119 1.00 0.00 H new ATOM 0 HA MET A 46 -10.989 -11.253 -0.221 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.794 -8.416 -1.404 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.861 -9.781 -1.984 1.00 0.00 H new ATOM 0 HG2 MET A 46 -11.970 -11.008 -2.535 1.00 0.00 H new ATOM 0 HG3 MET A 46 -12.921 -9.671 -1.917 1.00 0.00 H new ATOM 0 HE1 MET A 46 -12.825 -10.007 -6.006 1.00 0.00 H new ATOM 0 HE2 MET A 46 -12.273 -11.288 -4.900 1.00 0.00 H new ATOM 0 HE3 MET A 46 -13.786 -10.413 -4.565 1.00 0.00 H new ATOM 741 N TRP A 47 -9.610 -8.646 1.220 1.00 0.00 N ATOM 742 CA TRP A 47 -8.429 -8.264 2.062 1.00 0.00 C ATOM 743 C TRP A 47 -8.258 -9.227 3.245 1.00 0.00 C ATOM 744 O TRP A 47 -7.185 -9.333 3.809 1.00 0.00 O ATOM 745 CB TRP A 47 -8.725 -6.850 2.566 1.00 0.00 C ATOM 746 CG TRP A 47 -7.535 -6.332 3.311 1.00 0.00 C ATOM 747 CD1 TRP A 47 -7.496 -6.090 4.642 1.00 0.00 C ATOM 748 CD2 TRP A 47 -6.213 -5.998 2.796 1.00 0.00 C ATOM 749 NE1 TRP A 47 -6.236 -5.627 4.976 1.00 0.00 N ATOM 750 CE2 TRP A 47 -5.408 -5.553 3.872 1.00 0.00 C ATOM 751 CE3 TRP A 47 -5.639 -6.036 1.512 1.00 0.00 C ATOM 752 CZ2 TRP A 47 -4.082 -5.160 3.681 1.00 0.00 C ATOM 753 CZ3 TRP A 47 -4.305 -5.642 1.316 1.00 0.00 C ATOM 754 CH2 TRP A 47 -3.528 -5.205 2.398 1.00 0.00 C ATOM 0 H TRP A 47 -10.301 -7.908 1.086 1.00 0.00 H new ATOM 0 HA TRP A 47 -7.503 -8.309 1.488 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.957 -6.194 1.727 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -9.600 -6.859 3.216 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.315 -6.235 5.331 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.953 -5.371 5.922 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -6.228 -6.371 0.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -3.488 -4.824 4.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.875 -5.676 0.326 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -2.503 -4.904 2.241 1.00 0.00 H new ATOM 765 N SER A 48 -9.300 -9.925 3.626 1.00 0.00 N ATOM 766 CA SER A 48 -9.185 -10.876 4.773 1.00 0.00 C ATOM 767 C SER A 48 -8.846 -12.280 4.265 1.00 0.00 C ATOM 768 O SER A 48 -8.143 -13.030 4.917 1.00 0.00 O ATOM 769 CB SER A 48 -10.562 -10.865 5.436 1.00 0.00 C ATOM 770 OG SER A 48 -10.463 -11.433 6.735 1.00 0.00 O ATOM 0 H SER A 48 -10.222 -9.877 3.193 1.00 0.00 H new ATOM 0 HA SER A 48 -8.395 -10.591 5.468 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.939 -9.844 5.501 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.273 -11.430 4.833 1.00 0.00 H new ATOM 0 HG SER A 48 -11.344 -11.426 7.163 1.00 0.00 H new ATOM 776 N GLU A 49 -9.338 -12.635 3.106 1.00 0.00 N ATOM 777 CA GLU A 49 -9.046 -13.992 2.546 1.00 0.00 C ATOM 778 C GLU A 49 -7.545 -14.141 2.286 1.00 0.00 C ATOM 779 O GLU A 49 -6.977 -15.201 2.469 1.00 0.00 O ATOM 780 CB GLU A 49 -9.827 -14.064 1.232 1.00 0.00 C ATOM 781 CG GLU A 49 -11.305 -14.327 1.529 1.00 0.00 C ATOM 782 CD GLU A 49 -11.498 -15.802 1.892 1.00 0.00 C ATOM 783 OE1 GLU A 49 -11.339 -16.130 3.056 1.00 0.00 O ATOM 784 OE2 GLU A 49 -11.801 -16.577 1.000 1.00 0.00 O ATOM 0 H GLU A 49 -9.930 -12.045 2.522 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.334 -14.790 3.231 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.717 -13.131 0.680 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.425 -14.857 0.601 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.641 -13.693 2.349 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.912 -14.073 0.660 1.00 0.00 H new ATOM 791 N GLN A 50 -6.902 -13.083 1.861 1.00 0.00 N ATOM 792 CA GLN A 50 -5.433 -13.151 1.586 1.00 0.00 C ATOM 793 C GLN A 50 -4.669 -13.475 2.872 1.00 0.00 C ATOM 794 O GLN A 50 -5.091 -13.133 3.960 1.00 0.00 O ATOM 795 CB GLN A 50 -5.046 -11.762 1.064 1.00 0.00 C ATOM 796 CG GLN A 50 -5.422 -10.690 2.092 1.00 0.00 C ATOM 797 CD GLN A 50 -4.628 -9.413 1.811 1.00 0.00 C ATOM 798 OE1 GLN A 50 -3.872 -8.957 2.646 1.00 0.00 O ATOM 799 NE2 GLN A 50 -4.769 -8.811 0.661 1.00 0.00 N ATOM 0 H GLN A 50 -7.331 -12.173 1.692 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.190 -13.931 0.865 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.975 -11.725 0.864 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.554 -11.565 0.120 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.491 -10.484 2.044 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.211 -11.048 3.100 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.403 -9.193 -0.040 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.245 -7.959 0.464 1.00 0.00 H new ATOM 808 N SER A 51 -3.543 -14.128 2.748 1.00 0.00 N ATOM 809 CA SER A 51 -2.733 -14.477 3.952 1.00 0.00 C ATOM 810 C SER A 51 -1.609 -13.451 4.130 1.00 0.00 C ATOM 811 O SER A 51 -1.736 -12.312 3.720 1.00 0.00 O ATOM 812 CB SER A 51 -2.168 -15.866 3.653 1.00 0.00 C ATOM 813 OG SER A 51 -1.214 -15.769 2.604 1.00 0.00 O ATOM 0 H SER A 51 -3.148 -14.436 1.859 1.00 0.00 H new ATOM 0 HA SER A 51 -3.316 -14.472 4.873 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.702 -16.282 4.546 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.972 -16.545 3.367 1.00 0.00 H new ATOM 0 HG SER A 51 -0.849 -16.658 2.411 1.00 0.00 H new ATOM 819 N ALA A 52 -0.510 -13.841 4.727 1.00 0.00 N ATOM 820 CA ALA A 52 0.620 -12.883 4.923 1.00 0.00 C ATOM 821 C ALA A 52 1.467 -12.800 3.646 1.00 0.00 C ATOM 822 O ALA A 52 2.661 -13.034 3.667 1.00 0.00 O ATOM 823 CB ALA A 52 1.438 -13.465 6.077 1.00 0.00 C ATOM 0 H ALA A 52 -0.347 -14.781 5.087 1.00 0.00 H new ATOM 0 HA ALA A 52 0.275 -11.872 5.141 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.289 -12.816 6.283 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.812 -13.536 6.967 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.796 -14.458 5.805 1.00 0.00 H new ATOM 829 N LYS A 53 0.855 -12.467 2.536 1.00 0.00 N ATOM 830 CA LYS A 53 1.616 -12.365 1.255 1.00 0.00 C ATOM 831 C LYS A 53 1.221 -11.091 0.506 1.00 0.00 C ATOM 832 O LYS A 53 2.064 -10.363 0.015 1.00 0.00 O ATOM 833 CB LYS A 53 1.211 -13.603 0.455 1.00 0.00 C ATOM 834 CG LYS A 53 1.952 -14.827 0.991 1.00 0.00 C ATOM 835 CD LYS A 53 1.667 -16.031 0.091 1.00 0.00 C ATOM 836 CE LYS A 53 2.712 -17.120 0.347 1.00 0.00 C ATOM 837 NZ LYS A 53 2.649 -18.002 -0.851 1.00 0.00 N ATOM 0 H LYS A 53 -0.141 -12.261 2.463 1.00 0.00 H new ATOM 0 HA LYS A 53 2.693 -12.318 1.417 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.134 -13.758 0.526 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.443 -13.458 -0.600 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.024 -14.631 1.025 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.634 -15.039 2.012 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.667 -16.418 0.289 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.690 -15.729 -0.956 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.707 -16.692 0.470 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.489 -17.675 1.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.338 -18.774 -0.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.692 -18.401 -0.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.872 -17.448 -1.702 1.00 0.00 H new ATOM 851 N ASP A 54 -0.055 -10.822 0.410 1.00 0.00 N ATOM 852 CA ASP A 54 -0.517 -9.598 -0.313 1.00 0.00 C ATOM 853 C ASP A 54 -0.020 -8.336 0.399 1.00 0.00 C ATOM 854 O ASP A 54 0.225 -7.321 -0.226 1.00 0.00 O ATOM 855 CB ASP A 54 -2.045 -9.660 -0.280 1.00 0.00 C ATOM 856 CG ASP A 54 -2.618 -8.730 -1.352 1.00 0.00 C ATOM 857 OD1 ASP A 54 -2.643 -9.132 -2.504 1.00 0.00 O ATOM 858 OD2 ASP A 54 -3.021 -7.633 -1.003 1.00 0.00 O ATOM 0 H ASP A 54 -0.800 -11.398 0.802 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.133 -9.561 -1.332 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.382 -10.682 -0.453 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.410 -9.366 0.704 1.00 0.00 H new ATOM 863 N LYS A 55 0.126 -8.390 1.700 1.00 0.00 N ATOM 864 CA LYS A 55 0.602 -7.189 2.453 1.00 0.00 C ATOM 865 C LYS A 55 2.101 -7.293 2.753 1.00 0.00 C ATOM 866 O LYS A 55 2.589 -6.684 3.680 1.00 0.00 O ATOM 867 CB LYS A 55 -0.206 -7.182 3.752 1.00 0.00 C ATOM 868 CG LYS A 55 0.117 -5.923 4.560 1.00 0.00 C ATOM 869 CD LYS A 55 -1.053 -5.599 5.490 1.00 0.00 C ATOM 870 CE LYS A 55 -0.809 -6.238 6.859 1.00 0.00 C ATOM 871 NZ LYS A 55 -2.109 -6.117 7.575 1.00 0.00 N ATOM 0 H LYS A 55 -0.064 -9.213 2.272 1.00 0.00 H new ATOM 0 HA LYS A 55 0.463 -6.272 1.880 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.272 -7.217 3.527 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.025 -8.071 4.339 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.026 -6.075 5.142 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.304 -5.085 3.888 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.160 -4.519 5.595 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.984 -5.972 5.064 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.508 -7.281 6.760 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.012 -5.726 7.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.023 -6.534 8.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.367 -5.113 7.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.847 -6.620 7.042 1.00 0.00 H new ATOM 885 N GLN A 56 2.831 -8.071 1.995 1.00 0.00 N ATOM 886 CA GLN A 56 4.296 -8.203 2.263 1.00 0.00 C ATOM 887 C GLN A 56 5.101 -7.200 1.411 1.00 0.00 C ATOM 888 O GLN A 56 5.807 -6.377 1.962 1.00 0.00 O ATOM 889 CB GLN A 56 4.653 -9.649 1.907 1.00 0.00 C ATOM 890 CG GLN A 56 4.711 -10.497 3.180 1.00 0.00 C ATOM 891 CD GLN A 56 5.635 -11.694 2.954 1.00 0.00 C ATOM 892 OE1 GLN A 56 5.210 -12.718 2.456 1.00 0.00 O ATOM 893 NE2 GLN A 56 6.890 -11.610 3.302 1.00 0.00 N ATOM 0 H GLN A 56 2.480 -8.617 1.208 1.00 0.00 H new ATOM 0 HA GLN A 56 4.538 -7.981 3.302 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.912 -10.058 1.220 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.614 -9.680 1.394 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.074 -9.896 4.014 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.712 -10.841 3.446 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.247 -10.751 3.720 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.514 -12.404 3.156 1.00 0.00 H new ATOM 902 N PRO A 57 4.992 -7.289 0.098 1.00 0.00 N ATOM 903 CA PRO A 57 5.750 -6.357 -0.777 1.00 0.00 C ATOM 904 C PRO A 57 5.064 -4.985 -0.865 1.00 0.00 C ATOM 905 O PRO A 57 5.704 -3.985 -1.124 1.00 0.00 O ATOM 906 CB PRO A 57 5.719 -7.036 -2.138 1.00 0.00 C ATOM 907 CG PRO A 57 4.489 -7.883 -2.123 1.00 0.00 C ATOM 908 CD PRO A 57 4.188 -8.239 -0.691 1.00 0.00 C ATOM 0 HA PRO A 57 6.757 -6.171 -0.403 1.00 0.00 H new ATOM 0 HB2 PRO A 57 5.683 -6.303 -2.944 1.00 0.00 H new ATOM 0 HB3 PRO A 57 6.612 -7.641 -2.297 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.651 -7.346 -2.567 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.640 -8.785 -2.717 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.125 -8.139 -0.471 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.463 -9.271 -0.472 1.00 0.00 H new ATOM 916 N TYR A 58 3.767 -4.938 -0.692 1.00 0.00 N ATOM 917 CA TYR A 58 3.036 -3.634 -0.807 1.00 0.00 C ATOM 918 C TYR A 58 3.068 -2.841 0.508 1.00 0.00 C ATOM 919 O TYR A 58 2.866 -1.640 0.509 1.00 0.00 O ATOM 920 CB TYR A 58 1.592 -4.024 -1.163 1.00 0.00 C ATOM 921 CG TYR A 58 1.128 -3.231 -2.364 1.00 0.00 C ATOM 922 CD1 TYR A 58 1.749 -3.413 -3.604 1.00 0.00 C ATOM 923 CD2 TYR A 58 0.075 -2.317 -2.235 1.00 0.00 C ATOM 924 CE1 TYR A 58 1.319 -2.680 -4.717 1.00 0.00 C ATOM 925 CE2 TYR A 58 -0.355 -1.584 -3.347 1.00 0.00 C ATOM 926 CZ TYR A 58 0.266 -1.766 -4.589 1.00 0.00 C ATOM 927 OH TYR A 58 -0.158 -1.043 -5.685 1.00 0.00 O ATOM 0 H TYR A 58 3.181 -5.744 -0.476 1.00 0.00 H new ATOM 0 HA TYR A 58 3.495 -2.987 -1.554 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.536 -5.091 -1.377 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.935 -3.834 -0.314 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.560 -4.119 -3.703 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.405 -2.178 -1.278 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.800 -2.820 -5.674 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.166 -0.878 -3.247 1.00 0.00 H new ATOM 0 HH TYR A 58 -1.120 -0.871 -5.611 1.00 0.00 H new ATOM 937 N GLU A 59 3.304 -3.491 1.620 1.00 0.00 N ATOM 938 CA GLU A 59 3.327 -2.753 2.925 1.00 0.00 C ATOM 939 C GLU A 59 4.553 -1.832 3.016 1.00 0.00 C ATOM 940 O GLU A 59 4.529 -0.828 3.702 1.00 0.00 O ATOM 941 CB GLU A 59 3.359 -3.842 4.006 1.00 0.00 C ATOM 942 CG GLU A 59 4.684 -4.618 3.950 1.00 0.00 C ATOM 943 CD GLU A 59 5.644 -4.083 5.017 1.00 0.00 C ATOM 944 OE1 GLU A 59 5.564 -2.905 5.325 1.00 0.00 O ATOM 945 OE2 GLU A 59 6.444 -4.862 5.508 1.00 0.00 O ATOM 0 H GLU A 59 3.481 -4.494 1.683 1.00 0.00 H new ATOM 0 HA GLU A 59 2.460 -2.103 3.040 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.237 -3.389 4.990 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.523 -4.527 3.865 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.501 -5.680 4.112 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.133 -4.519 2.962 1.00 0.00 H new ATOM 952 N GLN A 60 5.618 -2.165 2.330 1.00 0.00 N ATOM 953 CA GLN A 60 6.843 -1.305 2.378 1.00 0.00 C ATOM 954 C GLN A 60 6.669 -0.069 1.480 1.00 0.00 C ATOM 955 O GLN A 60 7.353 0.923 1.643 1.00 0.00 O ATOM 956 CB GLN A 60 7.984 -2.198 1.871 1.00 0.00 C ATOM 957 CG GLN A 60 7.721 -2.626 0.420 1.00 0.00 C ATOM 958 CD GLN A 60 8.075 -4.105 0.244 1.00 0.00 C ATOM 959 OE1 GLN A 60 7.747 -4.924 1.081 1.00 0.00 O ATOM 960 NE2 GLN A 60 8.736 -4.484 -0.815 1.00 0.00 N ATOM 0 H GLN A 60 5.693 -2.993 1.740 1.00 0.00 H new ATOM 0 HA GLN A 60 7.042 -0.931 3.382 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.930 -1.661 1.933 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.075 -3.079 2.506 1.00 0.00 H new ATOM 0 HG2 GLN A 60 6.674 -2.460 0.166 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.314 -2.017 -0.262 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.011 -3.797 -1.517 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.978 -5.467 -0.941 1.00 0.00 H new ATOM 969 N LYS A 61 5.754 -0.123 0.542 1.00 0.00 N ATOM 970 CA LYS A 61 5.530 1.049 -0.362 1.00 0.00 C ATOM 971 C LYS A 61 5.030 2.243 0.452 1.00 0.00 C ATOM 972 O LYS A 61 5.514 3.350 0.302 1.00 0.00 O ATOM 973 CB LYS A 61 4.468 0.583 -1.367 1.00 0.00 C ATOM 974 CG LYS A 61 4.094 1.730 -2.309 1.00 0.00 C ATOM 975 CD LYS A 61 3.264 1.186 -3.473 1.00 0.00 C ATOM 976 CE LYS A 61 3.370 2.140 -4.666 1.00 0.00 C ATOM 977 NZ LYS A 61 2.765 1.398 -5.807 1.00 0.00 N ATOM 0 H LYS A 61 5.153 -0.928 0.363 1.00 0.00 H new ATOM 0 HA LYS A 61 6.441 1.370 -0.867 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.847 -0.261 -1.943 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.582 0.235 -0.836 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.528 2.489 -1.768 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.995 2.213 -2.686 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.619 0.194 -3.754 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.222 1.078 -3.171 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.838 3.072 -4.475 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.408 2.402 -4.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.801 1.988 -6.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.296 0.519 -5.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.775 1.168 -5.586 1.00 0.00 H new ATOM 991 N ALA A 62 4.073 2.026 1.316 1.00 0.00 N ATOM 992 CA ALA A 62 3.550 3.149 2.146 1.00 0.00 C ATOM 993 C ALA A 62 4.515 3.464 3.293 1.00 0.00 C ATOM 994 O ALA A 62 4.412 4.499 3.926 1.00 0.00 O ATOM 995 CB ALA A 62 2.211 2.659 2.693 1.00 0.00 C ATOM 0 H ALA A 62 3.632 1.121 1.482 1.00 0.00 H new ATOM 0 HA ALA A 62 3.440 4.065 1.565 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.766 3.435 3.315 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.541 2.430 1.864 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.369 1.761 3.291 1.00 0.00 H new ATOM 1001 N ALA A 63 5.465 2.597 3.553 1.00 0.00 N ATOM 1002 CA ALA A 63 6.446 2.870 4.643 1.00 0.00 C ATOM 1003 C ALA A 63 7.504 3.872 4.161 1.00 0.00 C ATOM 1004 O ALA A 63 8.364 4.280 4.919 1.00 0.00 O ATOM 1005 CB ALA A 63 7.088 1.517 4.955 1.00 0.00 C ATOM 0 H ALA A 63 5.601 1.716 3.057 1.00 0.00 H new ATOM 0 HA ALA A 63 5.973 3.304 5.524 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.824 1.638 5.750 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.319 0.815 5.276 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.580 1.133 4.061 1.00 0.00 H new ATOM 1011 N LYS A 64 7.448 4.283 2.911 1.00 0.00 N ATOM 1012 CA LYS A 64 8.440 5.264 2.385 1.00 0.00 C ATOM 1013 C LYS A 64 7.791 6.641 2.242 1.00 0.00 C ATOM 1014 O LYS A 64 8.449 7.663 2.299 1.00 0.00 O ATOM 1015 CB LYS A 64 8.799 4.727 1.007 1.00 0.00 C ATOM 1016 CG LYS A 64 9.772 3.558 1.145 1.00 0.00 C ATOM 1017 CD LYS A 64 11.093 4.052 1.740 1.00 0.00 C ATOM 1018 CE LYS A 64 12.230 3.128 1.299 1.00 0.00 C ATOM 1019 NZ LYS A 64 12.206 1.998 2.270 1.00 0.00 N ATOM 0 H LYS A 64 6.750 3.975 2.234 1.00 0.00 H new ATOM 0 HA LYS A 64 9.305 5.376 3.039 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.898 4.403 0.487 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.248 5.517 0.404 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.341 2.787 1.783 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.949 3.103 0.170 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.292 5.072 1.413 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.029 4.073 2.828 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.079 2.775 0.279 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.189 3.645 1.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.959 1.321 2.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.359 2.363 3.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.283 1.520 2.224 1.00 0.00 H new ATOM 1033 N LEU A 65 6.497 6.666 2.081 1.00 0.00 N ATOM 1034 CA LEU A 65 5.767 7.959 1.961 1.00 0.00 C ATOM 1035 C LEU A 65 5.359 8.461 3.354 1.00 0.00 C ATOM 1036 O LEU A 65 5.028 9.618 3.529 1.00 0.00 O ATOM 1037 CB LEU A 65 4.529 7.640 1.124 1.00 0.00 C ATOM 1038 CG LEU A 65 4.894 7.674 -0.360 1.00 0.00 C ATOM 1039 CD1 LEU A 65 5.456 6.315 -0.779 1.00 0.00 C ATOM 1040 CD2 LEU A 65 3.641 7.982 -1.184 1.00 0.00 C ATOM 0 H LEU A 65 5.907 5.835 2.027 1.00 0.00 H new ATOM 0 HA LEU A 65 6.376 8.739 1.504 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.140 6.658 1.391 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.740 8.363 1.332 1.00 0.00 H new ATOM 0 HG LEU A 65 5.644 8.446 -0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.716 6.339 -1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.347 6.093 -0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.706 5.543 -0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.899 8.007 -2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.892 7.209 -1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.238 8.950 -0.886 1.00 0.00 H new ATOM 1052 N LYS A 66 5.391 7.599 4.346 1.00 0.00 N ATOM 1053 CA LYS A 66 5.020 8.024 5.727 1.00 0.00 C ATOM 1054 C LYS A 66 6.151 8.860 6.324 1.00 0.00 C ATOM 1055 O LYS A 66 5.918 9.807 7.053 1.00 0.00 O ATOM 1056 CB LYS A 66 4.845 6.724 6.516 1.00 0.00 C ATOM 1057 CG LYS A 66 4.374 7.045 7.936 1.00 0.00 C ATOM 1058 CD LYS A 66 2.855 6.882 8.023 1.00 0.00 C ATOM 1059 CE LYS A 66 2.461 6.507 9.453 1.00 0.00 C ATOM 1060 NZ LYS A 66 1.370 5.504 9.301 1.00 0.00 N ATOM 0 H LYS A 66 5.659 6.619 4.254 1.00 0.00 H new ATOM 0 HA LYS A 66 4.115 8.631 5.747 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.120 6.080 6.019 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.787 6.177 6.549 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.862 6.382 8.650 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.656 8.064 8.202 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.362 7.809 7.730 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.521 6.111 7.329 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.307 6.090 9.999 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.120 7.380 10.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.046 5.198 10.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.576 5.931 8.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.725 4.682 8.773 1.00 0.00 H new ATOM 1074 N GLU A 67 7.376 8.517 6.012 1.00 0.00 N ATOM 1075 CA GLU A 67 8.533 9.291 6.554 1.00 0.00 C ATOM 1076 C GLU A 67 8.539 10.700 5.959 1.00 0.00 C ATOM 1077 O GLU A 67 8.503 11.683 6.673 1.00 0.00 O ATOM 1078 CB GLU A 67 9.779 8.516 6.117 1.00 0.00 C ATOM 1079 CG GLU A 67 9.881 7.218 6.919 1.00 0.00 C ATOM 1080 CD GLU A 67 11.248 6.576 6.682 1.00 0.00 C ATOM 1081 OE1 GLU A 67 12.172 6.915 7.402 1.00 0.00 O ATOM 1082 OE2 GLU A 67 11.349 5.755 5.783 1.00 0.00 O ATOM 0 H GLU A 67 7.624 7.735 5.406 1.00 0.00 H new ATOM 0 HA GLU A 67 8.488 9.399 7.638 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.727 8.294 5.051 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.671 9.123 6.273 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.743 7.423 7.981 1.00 0.00 H new ATOM 0 HG3 GLU A 67 9.089 6.531 6.621 1.00 0.00 H new ATOM 1089 N LYS A 68 8.586 10.801 4.654 1.00 0.00 N ATOM 1090 CA LYS A 68 8.596 12.146 3.998 1.00 0.00 C ATOM 1091 C LYS A 68 7.352 12.948 4.394 1.00 0.00 C ATOM 1092 O LYS A 68 7.369 14.162 4.406 1.00 0.00 O ATOM 1093 CB LYS A 68 8.591 11.863 2.493 1.00 0.00 C ATOM 1094 CG LYS A 68 10.030 11.698 1.999 1.00 0.00 C ATOM 1095 CD LYS A 68 10.623 10.411 2.575 1.00 0.00 C ATOM 1096 CE LYS A 68 12.025 10.194 2.000 1.00 0.00 C ATOM 1097 NZ LYS A 68 12.915 11.058 2.823 1.00 0.00 N ATOM 0 H LYS A 68 8.618 10.008 4.013 1.00 0.00 H new ATOM 0 HA LYS A 68 9.462 12.736 4.299 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.018 10.960 2.284 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.104 12.680 1.960 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.050 11.665 0.910 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.631 12.555 2.303 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.670 10.474 3.662 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.983 9.563 2.332 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.321 9.147 2.065 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.068 10.473 0.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.569 11.575 2.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.339 11.737 3.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 13.460 10.467 3.483 1.00 0.00 H new ATOM 1111 N TYR A 69 6.279 12.276 4.728 1.00 0.00 N ATOM 1112 CA TYR A 69 5.036 12.999 5.135 1.00 0.00 C ATOM 1113 C TYR A 69 5.223 13.585 6.540 1.00 0.00 C ATOM 1114 O TYR A 69 5.286 14.784 6.722 1.00 0.00 O ATOM 1115 CB TYR A 69 3.933 11.927 5.126 1.00 0.00 C ATOM 1116 CG TYR A 69 2.629 12.509 5.631 1.00 0.00 C ATOM 1117 CD1 TYR A 69 2.067 13.625 4.999 1.00 0.00 C ATOM 1118 CD2 TYR A 69 1.986 11.933 6.733 1.00 0.00 C ATOM 1119 CE1 TYR A 69 0.862 14.163 5.467 1.00 0.00 C ATOM 1120 CE2 TYR A 69 0.782 12.472 7.202 1.00 0.00 C ATOM 1121 CZ TYR A 69 0.220 13.587 6.569 1.00 0.00 C ATOM 1122 OH TYR A 69 -0.967 14.117 7.030 1.00 0.00 O ATOM 0 H TYR A 69 6.210 11.258 4.736 1.00 0.00 H new ATOM 0 HA TYR A 69 4.790 13.829 4.472 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.800 11.542 4.115 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.230 11.085 5.752 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.563 14.071 4.150 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.419 11.073 7.222 1.00 0.00 H new ATOM 0 HE1 TYR A 69 0.428 15.022 4.978 1.00 0.00 H new ATOM 0 HE2 TYR A 69 0.287 12.027 8.052 1.00 0.00 H new ATOM 0 HH TYR A 69 -1.280 13.598 7.800 1.00 0.00 H new ATOM 1132 N GLU A 70 5.305 12.734 7.527 1.00 0.00 N ATOM 1133 CA GLU A 70 5.483 13.210 8.936 1.00 0.00 C ATOM 1134 C GLU A 70 6.718 14.117 9.065 1.00 0.00 C ATOM 1135 O GLU A 70 6.828 14.889 9.998 1.00 0.00 O ATOM 1136 CB GLU A 70 5.670 11.939 9.768 1.00 0.00 C ATOM 1137 CG GLU A 70 4.337 11.194 9.867 1.00 0.00 C ATOM 1138 CD GLU A 70 4.446 10.092 10.922 1.00 0.00 C ATOM 1139 OE1 GLU A 70 4.242 10.392 12.087 1.00 0.00 O ATOM 1140 OE2 GLU A 70 4.731 8.965 10.547 1.00 0.00 O ATOM 0 H GLU A 70 5.256 11.721 7.420 1.00 0.00 H new ATOM 0 HA GLU A 70 4.629 13.801 9.268 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.424 11.299 9.309 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.032 12.193 10.764 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.539 11.888 10.132 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.077 10.763 8.900 1.00 0.00 H new ATOM 1147 N LYS A 71 7.646 14.022 8.143 1.00 0.00 N ATOM 1148 CA LYS A 71 8.875 14.872 8.224 1.00 0.00 C ATOM 1149 C LYS A 71 8.729 16.146 7.380 1.00 0.00 C ATOM 1150 O LYS A 71 9.453 17.104 7.576 1.00 0.00 O ATOM 1151 CB LYS A 71 9.996 13.994 7.669 1.00 0.00 C ATOM 1152 CG LYS A 71 10.288 12.856 8.649 1.00 0.00 C ATOM 1153 CD LYS A 71 11.535 12.097 8.194 1.00 0.00 C ATOM 1154 CE LYS A 71 11.741 10.870 9.086 1.00 0.00 C ATOM 1155 NZ LYS A 71 12.278 11.411 10.365 1.00 0.00 N ATOM 0 H LYS A 71 7.605 13.394 7.340 1.00 0.00 H new ATOM 0 HA LYS A 71 9.068 15.202 9.245 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.708 13.588 6.700 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.894 14.591 7.510 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.438 13.255 9.652 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.436 12.179 8.700 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.427 11.789 7.154 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.408 12.747 8.245 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.804 10.336 9.245 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.437 10.164 8.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.120 10.869 10.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.536 12.410 10.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.553 11.332 11.107 1.00 0.00 H new ATOM 1169 N ASP A 72 7.812 16.167 6.443 1.00 0.00 N ATOM 1170 CA ASP A 72 7.642 17.384 5.590 1.00 0.00 C ATOM 1171 C ASP A 72 6.331 18.105 5.921 1.00 0.00 C ATOM 1172 O ASP A 72 6.243 19.314 5.816 1.00 0.00 O ATOM 1173 CB ASP A 72 7.615 16.865 4.152 1.00 0.00 C ATOM 1174 CG ASP A 72 7.611 18.047 3.181 1.00 0.00 C ATOM 1175 OD1 ASP A 72 6.647 18.796 3.193 1.00 0.00 O ATOM 1176 OD2 ASP A 72 8.572 18.185 2.443 1.00 0.00 O ATOM 0 H ASP A 72 7.177 15.397 6.233 1.00 0.00 H new ATOM 0 HA ASP A 72 8.444 18.104 5.753 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.483 16.232 3.967 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.730 16.248 3.994 1.00 0.00 H new ATOM 1181 N ILE A 73 5.315 17.376 6.313 1.00 0.00 N ATOM 1182 CA ILE A 73 4.012 18.032 6.642 1.00 0.00 C ATOM 1183 C ILE A 73 4.164 18.903 7.898 1.00 0.00 C ATOM 1184 O ILE A 73 3.532 19.934 8.028 1.00 0.00 O ATOM 1185 CB ILE A 73 3.015 16.876 6.853 1.00 0.00 C ATOM 1186 CG1 ILE A 73 1.594 17.441 6.910 1.00 0.00 C ATOM 1187 CG2 ILE A 73 3.316 16.119 8.153 1.00 0.00 C ATOM 1188 CD1 ILE A 73 0.998 17.466 5.500 1.00 0.00 C ATOM 0 H ILE A 73 5.331 16.362 6.419 1.00 0.00 H new ATOM 0 HA ILE A 73 3.665 18.700 5.853 1.00 0.00 H new ATOM 0 HB ILE A 73 3.110 16.179 6.020 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.975 16.831 7.567 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.608 18.447 7.328 1.00 0.00 H new ATOM 0 HG21 ILE A 73 2.597 15.309 8.277 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.324 15.707 8.109 1.00 0.00 H new ATOM 0 HG23 ILE A 73 3.241 16.803 8.998 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.014 17.868 5.540 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.613 18.094 4.856 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.970 16.453 5.099 1.00 0.00 H new