USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 554 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 22 CYS SG : rot 100:sc= -7.24! USER MOD Set 1.2: A 26 HIS : no HD1:sc= -4.9! C(o=-12!,f=-18!) USER MOD Single : A 11 THR OG1 : rot 24:sc= 0.216 USER MOD Single : A 14 SER OG : rot -89:sc= -0.174 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.848 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.247 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0298 USER MOD Single : A 42 SER OG : rot -41:sc= -2.33! USER MOD Single : A 43 TYR OH : rot 180:sc= -1.15 USER MOD Single : A 47 SER OG : rot 180:sc= 0.00613 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -2.08 K(o=-2.1,f=-4.6!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -170:sc= 0 USER MOD Single : A 81 THR OG1 : rot 84:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 136 N THR A 11 4.123 -12.762 -2.150 1.00 0.00 N ATOM 137 CA THR A 11 4.664 -13.026 -0.814 1.00 0.00 C ATOM 138 C THR A 11 4.625 -11.766 0.035 1.00 0.00 C ATOM 139 O THR A 11 4.659 -10.658 -0.477 1.00 0.00 O ATOM 140 CB THR A 11 6.101 -13.527 -0.930 1.00 0.00 C ATOM 141 OG1 THR A 11 6.146 -14.627 -1.832 1.00 0.00 O ATOM 142 CG2 THR A 11 6.594 -13.972 0.445 1.00 0.00 C ATOM 0 HA THR A 11 4.052 -13.789 -0.333 1.00 0.00 H new ATOM 0 HB THR A 11 6.740 -12.726 -1.303 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.379 -14.583 -2.440 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.620 -14.330 0.365 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.557 -13.129 1.135 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.957 -14.775 0.818 1.00 0.00 H new ATOM 150 N LEU A 12 4.556 -11.944 1.340 1.00 0.00 N ATOM 151 CA LEU A 12 4.485 -10.808 2.252 1.00 0.00 C ATOM 152 C LEU A 12 5.524 -9.755 1.893 1.00 0.00 C ATOM 153 O LEU A 12 5.238 -8.554 1.920 1.00 0.00 O ATOM 154 CB LEU A 12 4.730 -11.288 3.697 1.00 0.00 C ATOM 155 CG LEU A 12 3.448 -11.891 4.271 1.00 0.00 C ATOM 156 CD1 LEU A 12 3.129 -13.202 3.549 1.00 0.00 C ATOM 157 CD2 LEU A 12 3.635 -12.167 5.764 1.00 0.00 C ATOM 0 H LEU A 12 4.547 -12.857 1.795 1.00 0.00 H new ATOM 0 HA LEU A 12 3.493 -10.364 2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.529 -12.029 3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.058 -10.453 4.316 1.00 0.00 H new ATOM 0 HG LEU A 12 2.626 -11.189 4.130 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.215 -13.630 3.960 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.993 -13.008 2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.952 -13.903 3.687 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.720 -12.597 6.172 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.459 -12.867 5.904 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.859 -11.234 6.281 1.00 0.00 H new ATOM 169 N ASP A 13 6.723 -10.206 1.561 1.00 0.00 N ATOM 170 CA ASP A 13 7.795 -9.294 1.206 1.00 0.00 C ATOM 171 C ASP A 13 7.488 -8.576 -0.107 1.00 0.00 C ATOM 172 O ASP A 13 7.810 -7.397 -0.260 1.00 0.00 O ATOM 173 CB ASP A 13 9.113 -10.057 1.058 1.00 0.00 C ATOM 174 CG ASP A 13 9.224 -11.116 2.154 1.00 0.00 C ATOM 175 OD1 ASP A 13 8.728 -10.870 3.243 1.00 0.00 O ATOM 176 OD2 ASP A 13 9.798 -12.161 1.890 1.00 0.00 O ATOM 0 H ASP A 13 6.976 -11.194 1.530 1.00 0.00 H new ATOM 0 HA ASP A 13 7.883 -8.557 2.004 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.162 -10.529 0.077 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.953 -9.366 1.121 1.00 0.00 H new ATOM 181 N SER A 14 6.858 -9.290 -1.039 1.00 0.00 N ATOM 182 CA SER A 14 6.518 -8.709 -2.332 1.00 0.00 C ATOM 183 C SER A 14 5.488 -7.594 -2.164 1.00 0.00 C ATOM 184 O SER A 14 5.567 -6.543 -2.824 1.00 0.00 O ATOM 185 CB SER A 14 5.987 -9.782 -3.261 1.00 0.00 C ATOM 186 OG SER A 14 4.659 -10.113 -2.901 1.00 0.00 O ATOM 0 H SER A 14 6.576 -10.263 -0.922 1.00 0.00 H new ATOM 0 HA SER A 14 7.420 -8.280 -2.769 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.017 -9.431 -4.292 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.620 -10.668 -3.208 1.00 0.00 H new ATOM 0 HG SER A 14 4.670 -10.828 -2.231 1.00 0.00 H new ATOM 192 N LEU A 15 4.518 -7.823 -1.286 1.00 0.00 N ATOM 193 CA LEU A 15 3.494 -6.829 -1.048 1.00 0.00 C ATOM 194 C LEU A 15 4.089 -5.638 -0.313 1.00 0.00 C ATOM 195 O LEU A 15 4.230 -4.540 -0.849 1.00 0.00 O ATOM 196 CB LEU A 15 2.345 -7.434 -0.226 1.00 0.00 C ATOM 197 CG LEU A 15 1.430 -8.249 -1.141 1.00 0.00 C ATOM 198 CD1 LEU A 15 2.263 -9.137 -2.057 1.00 0.00 C ATOM 199 CD2 LEU A 15 0.532 -9.135 -0.279 1.00 0.00 C ATOM 0 H LEU A 15 4.424 -8.678 -0.737 1.00 0.00 H new ATOM 0 HA LEU A 15 3.099 -6.495 -2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.745 -8.070 0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.776 -6.641 0.260 1.00 0.00 H new ATOM 0 HG LEU A 15 0.829 -7.570 -1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.602 -9.713 -2.705 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.919 -8.516 -2.668 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.865 -9.818 -1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.125 -9.721 -0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.149 -9.806 0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.069 -8.510 0.382 1.00 0.00 H new ATOM 211 N ARG A 16 4.423 -5.853 0.948 1.00 0.00 N ATOM 212 CA ARG A 16 4.967 -4.783 1.769 1.00 0.00 C ATOM 213 C ARG A 16 5.868 -3.855 0.951 1.00 0.00 C ATOM 214 O ARG A 16 5.649 -2.641 0.911 1.00 0.00 O ATOM 215 CB ARG A 16 5.804 -5.381 2.901 1.00 0.00 C ATOM 216 CG ARG A 16 6.410 -4.249 3.765 1.00 0.00 C ATOM 217 CD ARG A 16 7.872 -4.005 3.368 1.00 0.00 C ATOM 218 NE ARG A 16 8.513 -3.131 4.334 1.00 0.00 N ATOM 219 CZ ARG A 16 8.999 -3.610 5.473 1.00 0.00 C ATOM 220 NH1 ARG A 16 8.899 -4.886 5.741 1.00 0.00 N ATOM 221 NH2 ARG A 16 9.575 -2.809 6.322 1.00 0.00 N ATOM 0 H ARG A 16 4.329 -6.751 1.423 1.00 0.00 H new ATOM 0 HA ARG A 16 4.128 -4.210 2.164 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.184 -6.030 3.520 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.600 -6.000 2.488 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.833 -3.334 3.635 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.352 -4.516 4.820 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.406 -4.954 3.315 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.917 -3.558 2.375 1.00 0.00 H new ATOM 0 HE ARG A 16 8.591 -2.134 4.135 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.448 -5.513 5.075 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.272 -5.254 6.616 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.653 -1.814 6.112 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.948 -3.176 7.197 1.00 0.00 H new ATOM 235 N VAL A 17 6.865 -4.437 0.288 1.00 0.00 N ATOM 236 CA VAL A 17 7.787 -3.644 -0.513 1.00 0.00 C ATOM 237 C VAL A 17 7.054 -2.777 -1.533 1.00 0.00 C ATOM 238 O VAL A 17 7.260 -1.564 -1.588 1.00 0.00 O ATOM 239 CB VAL A 17 8.753 -4.578 -1.257 1.00 0.00 C ATOM 240 CG1 VAL A 17 9.549 -5.419 -0.237 1.00 0.00 C ATOM 241 CG2 VAL A 17 7.963 -5.508 -2.170 1.00 0.00 C ATOM 0 H VAL A 17 7.052 -5.440 0.290 1.00 0.00 H new ATOM 0 HA VAL A 17 8.332 -2.987 0.165 1.00 0.00 H new ATOM 0 HB VAL A 17 9.443 -3.981 -1.853 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.234 -6.081 -0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.117 -4.757 0.416 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.859 -6.014 0.361 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.650 -6.170 -2.697 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.272 -6.103 -1.573 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.402 -4.917 -2.894 1.00 0.00 H new ATOM 251 N TRP A 18 6.232 -3.401 -2.360 1.00 0.00 N ATOM 252 CA TRP A 18 5.526 -2.659 -3.391 1.00 0.00 C ATOM 253 C TRP A 18 4.757 -1.493 -2.778 1.00 0.00 C ATOM 254 O TRP A 18 4.762 -0.390 -3.313 1.00 0.00 O ATOM 255 CB TRP A 18 4.560 -3.607 -4.145 1.00 0.00 C ATOM 256 CG TRP A 18 3.140 -3.321 -3.755 1.00 0.00 C ATOM 257 CD1 TRP A 18 2.425 -4.011 -2.870 1.00 0.00 C ATOM 258 CD2 TRP A 18 2.287 -2.237 -4.186 1.00 0.00 C ATOM 259 NE1 TRP A 18 1.185 -3.469 -2.737 1.00 0.00 N ATOM 260 CE2 TRP A 18 1.046 -2.357 -3.524 1.00 0.00 C ATOM 261 CE3 TRP A 18 2.454 -1.168 -5.086 1.00 0.00 C ATOM 262 CZ2 TRP A 18 0.016 -1.453 -3.742 1.00 0.00 C ATOM 263 CZ3 TRP A 18 1.418 -0.258 -5.306 1.00 0.00 C ATOM 264 CH2 TRP A 18 0.200 -0.409 -4.631 1.00 0.00 C ATOM 0 H TRP A 18 6.039 -4.402 -2.340 1.00 0.00 H new ATOM 0 HA TRP A 18 6.251 -2.254 -4.097 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.681 -3.480 -5.221 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.805 -4.644 -3.916 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.779 -4.879 -2.333 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.454 -3.842 -2.131 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.391 -1.051 -5.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.923 -1.564 -3.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.556 0.561 -5.996 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.601 0.294 -4.806 1.00 0.00 H new ATOM 275 N LEU A 19 4.073 -1.759 -1.678 1.00 0.00 N ATOM 276 CA LEU A 19 3.285 -0.727 -1.024 1.00 0.00 C ATOM 277 C LEU A 19 4.148 0.494 -0.725 1.00 0.00 C ATOM 278 O LEU A 19 3.917 1.580 -1.266 1.00 0.00 O ATOM 279 CB LEU A 19 2.716 -1.282 0.293 1.00 0.00 C ATOM 280 CG LEU A 19 1.291 -1.817 0.075 1.00 0.00 C ATOM 281 CD1 LEU A 19 0.971 -2.909 1.085 1.00 0.00 C ATOM 282 CD2 LEU A 19 0.290 -0.663 0.229 1.00 0.00 C ATOM 0 H LEU A 19 4.047 -2.671 -1.222 1.00 0.00 H new ATOM 0 HA LEU A 19 2.473 -0.430 -1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.358 -2.080 0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.706 -0.499 1.051 1.00 0.00 H new ATOM 0 HG LEU A 19 1.220 -2.239 -0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.041 -3.276 0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.679 -3.730 0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.046 -2.504 2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.722 -1.037 0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.373 -0.241 1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.508 0.109 -0.509 1.00 0.00 H new ATOM 294 N VAL A 20 5.129 0.317 0.147 1.00 0.00 N ATOM 295 CA VAL A 20 5.997 1.428 0.515 1.00 0.00 C ATOM 296 C VAL A 20 6.723 1.971 -0.710 1.00 0.00 C ATOM 297 O VAL A 20 6.764 3.185 -0.935 1.00 0.00 O ATOM 298 CB VAL A 20 7.013 0.964 1.564 1.00 0.00 C ATOM 299 CG1 VAL A 20 7.802 -0.228 1.025 1.00 0.00 C ATOM 300 CG2 VAL A 20 7.977 2.107 1.880 1.00 0.00 C ATOM 0 H VAL A 20 5.343 -0.568 0.607 1.00 0.00 H new ATOM 0 HA VAL A 20 5.385 2.227 0.934 1.00 0.00 H new ATOM 0 HB VAL A 20 6.485 0.669 2.471 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.524 -0.555 1.774 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.117 -1.045 0.799 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.329 0.065 0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.700 1.777 2.626 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.502 2.402 0.971 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.417 2.958 2.268 1.00 0.00 H new ATOM 310 N ASP A 21 7.302 1.069 -1.496 1.00 0.00 N ATOM 311 CA ASP A 21 8.033 1.474 -2.688 1.00 0.00 C ATOM 312 C ASP A 21 7.141 2.310 -3.600 1.00 0.00 C ATOM 313 O ASP A 21 7.616 3.197 -4.323 1.00 0.00 O ATOM 314 CB ASP A 21 8.518 0.231 -3.441 1.00 0.00 C ATOM 315 CG ASP A 21 9.538 0.629 -4.503 1.00 0.00 C ATOM 316 OD1 ASP A 21 10.002 1.755 -4.454 1.00 0.00 O ATOM 317 OD2 ASP A 21 9.836 -0.198 -5.349 1.00 0.00 O ATOM 0 H ASP A 21 7.279 0.063 -1.330 1.00 0.00 H new ATOM 0 HA ASP A 21 8.890 2.076 -2.387 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.965 -0.476 -2.742 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.673 -0.274 -3.908 1.00 0.00 H new ATOM 322 N CYS A 22 5.840 2.039 -3.546 1.00 0.00 N ATOM 323 CA CYS A 22 4.882 2.782 -4.356 1.00 0.00 C ATOM 324 C CYS A 22 4.776 4.220 -3.869 1.00 0.00 C ATOM 325 O CYS A 22 4.748 5.158 -4.671 1.00 0.00 O ATOM 326 CB CYS A 22 3.510 2.120 -4.299 1.00 0.00 C ATOM 327 SG CYS A 22 2.373 3.002 -5.382 1.00 0.00 S ATOM 0 H CYS A 22 5.428 1.317 -2.955 1.00 0.00 H new ATOM 0 HA CYS A 22 5.235 2.781 -5.387 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.585 1.076 -4.605 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.134 2.126 -3.276 1.00 0.00 H new ATOM 0 HG CYS A 22 2.255 2.357 -6.505 1.00 0.00 H new ATOM 333 N VAL A 23 4.736 4.392 -2.547 1.00 0.00 N ATOM 334 CA VAL A 23 4.655 5.735 -1.976 1.00 0.00 C ATOM 335 C VAL A 23 5.893 6.546 -2.353 1.00 0.00 C ATOM 336 O VAL A 23 5.784 7.678 -2.828 1.00 0.00 O ATOM 337 CB VAL A 23 4.556 5.643 -0.460 1.00 0.00 C ATOM 338 CG1 VAL A 23 4.207 7.017 0.124 1.00 0.00 C ATOM 339 CG2 VAL A 23 3.465 4.638 -0.073 1.00 0.00 C ATOM 0 H VAL A 23 4.758 3.635 -1.864 1.00 0.00 H new ATOM 0 HA VAL A 23 3.769 6.231 -2.373 1.00 0.00 H new ATOM 0 HB VAL A 23 5.515 5.313 -0.062 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.138 6.944 1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.984 7.734 -0.143 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.251 7.351 -0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.397 4.575 1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.508 4.966 -0.478 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.713 3.657 -0.479 1.00 0.00 H new ATOM 349 N ALA A 24 7.071 5.957 -2.149 1.00 0.00 N ATOM 350 CA ALA A 24 8.321 6.639 -2.479 1.00 0.00 C ATOM 351 C ALA A 24 8.272 7.141 -3.915 1.00 0.00 C ATOM 352 O ALA A 24 8.617 8.279 -4.191 1.00 0.00 O ATOM 353 CB ALA A 24 9.496 5.678 -2.311 1.00 0.00 C ATOM 0 H ALA A 24 7.186 5.020 -1.762 1.00 0.00 H new ATOM 0 HA ALA A 24 8.452 7.487 -1.806 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.425 6.192 -2.558 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.537 5.331 -1.279 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.366 4.824 -2.976 1.00 0.00 H new ATOM 359 N GLY A 25 7.850 6.275 -4.829 1.00 0.00 N ATOM 360 CA GLY A 25 7.760 6.656 -6.235 1.00 0.00 C ATOM 361 C GLY A 25 6.739 7.773 -6.430 1.00 0.00 C ATOM 362 O GLY A 25 6.994 8.747 -7.140 1.00 0.00 O ATOM 0 H GLY A 25 7.568 5.316 -4.627 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.737 6.984 -6.591 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.477 5.790 -6.834 1.00 0.00 H new ATOM 366 N HIS A 26 5.577 7.625 -5.800 1.00 0.00 N ATOM 367 CA HIS A 26 4.526 8.626 -5.925 1.00 0.00 C ATOM 368 C HIS A 26 5.040 10.007 -5.543 1.00 0.00 C ATOM 369 O HIS A 26 4.925 10.952 -6.329 1.00 0.00 O ATOM 370 CB HIS A 26 3.349 8.262 -5.007 1.00 0.00 C ATOM 371 CG HIS A 26 2.518 7.189 -5.651 1.00 0.00 C ATOM 372 ND1 HIS A 26 2.078 7.290 -6.961 1.00 0.00 N ATOM 373 CD2 HIS A 26 2.030 5.997 -5.181 1.00 0.00 C ATOM 374 CE1 HIS A 26 1.360 6.188 -7.235 1.00 0.00 C ATOM 375 NE2 HIS A 26 1.298 5.366 -6.185 1.00 0.00 N ATOM 0 H HIS A 26 5.342 6.831 -5.205 1.00 0.00 H new ATOM 0 HA HIS A 26 4.200 8.645 -6.965 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.721 7.917 -4.042 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.737 9.144 -4.817 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.188 5.607 -4.186 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.891 5.991 -8.188 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.818 4.468 -6.129 1.00 0.00 H new ATOM 384 N LEU A 27 5.613 10.125 -4.346 1.00 0.00 N ATOM 385 CA LEU A 27 6.137 11.409 -3.895 1.00 0.00 C ATOM 386 C LEU A 27 7.545 11.640 -4.421 1.00 0.00 C ATOM 387 O LEU A 27 7.921 12.765 -4.739 1.00 0.00 O ATOM 388 CB LEU A 27 6.148 11.439 -2.365 1.00 0.00 C ATOM 389 CG LEU A 27 4.752 11.102 -1.834 1.00 0.00 C ATOM 390 CD1 LEU A 27 4.769 11.116 -0.303 1.00 0.00 C ATOM 391 CD2 LEU A 27 3.744 12.141 -2.341 1.00 0.00 C ATOM 0 H LEU A 27 5.724 9.359 -3.682 1.00 0.00 H new ATOM 0 HA LEU A 27 5.496 12.202 -4.280 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.876 10.724 -1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.454 12.424 -2.013 1.00 0.00 H new ATOM 0 HG LEU A 27 4.462 10.112 -2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.775 10.876 0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.483 10.377 0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.061 12.105 0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.751 11.900 -1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.035 13.131 -1.991 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.729 12.131 -3.431 1.00 0.00 H new ATOM 403 N GLY A 28 8.315 10.572 -4.517 1.00 0.00 N ATOM 404 CA GLY A 28 9.695 10.652 -5.002 1.00 0.00 C ATOM 405 C GLY A 28 10.697 10.608 -3.852 1.00 0.00 C ATOM 406 O GLY A 28 11.908 10.580 -4.076 1.00 0.00 O ATOM 0 H GLY A 28 8.013 9.631 -4.266 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.889 9.826 -5.687 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.830 11.574 -5.568 1.00 0.00 H new ATOM 410 N LEU A 29 10.190 10.589 -2.626 1.00 0.00 N ATOM 411 CA LEU A 29 11.054 10.544 -1.448 1.00 0.00 C ATOM 412 C LEU A 29 11.708 9.173 -1.336 1.00 0.00 C ATOM 413 O LEU A 29 11.529 8.318 -2.201 1.00 0.00 O ATOM 414 CB LEU A 29 10.238 10.826 -0.186 1.00 0.00 C ATOM 415 CG LEU A 29 9.390 12.083 -0.395 1.00 0.00 C ATOM 416 CD1 LEU A 29 8.624 12.403 0.890 1.00 0.00 C ATOM 417 CD2 LEU A 29 10.297 13.264 -0.758 1.00 0.00 C ATOM 0 H LEU A 29 9.191 10.604 -2.419 1.00 0.00 H new ATOM 0 HA LEU A 29 11.827 11.305 -1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.596 9.975 0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.903 10.961 0.667 1.00 0.00 H new ATOM 0 HG LEU A 29 8.683 11.909 -1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.020 13.298 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.974 11.566 1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.331 12.574 1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.690 14.157 -0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 29 11.008 13.438 0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.839 13.038 -1.676 1.00 0.00 H new ATOM 429 N ASP A 30 12.478 8.976 -0.270 1.00 0.00 N ATOM 430 CA ASP A 30 13.161 7.703 -0.055 1.00 0.00 C ATOM 431 C ASP A 30 12.237 6.708 0.639 1.00 0.00 C ATOM 432 O ASP A 30 11.570 7.036 1.617 1.00 0.00 O ATOM 433 CB ASP A 30 14.416 7.921 0.787 1.00 0.00 C ATOM 434 CG ASP A 30 15.160 6.604 0.968 1.00 0.00 C ATOM 435 OD1 ASP A 30 14.610 5.580 0.596 1.00 0.00 O ATOM 436 OD2 ASP A 30 16.266 6.637 1.481 1.00 0.00 O ATOM 0 H ASP A 30 12.644 9.675 0.454 1.00 0.00 H new ATOM 0 HA ASP A 30 13.445 7.295 -1.025 1.00 0.00 H new ATOM 0 HB2 ASP A 30 15.065 8.651 0.304 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.144 8.331 1.760 1.00 0.00 H new ATOM 441 N ALA A 31 12.204 5.483 0.122 1.00 0.00 N ATOM 442 CA ALA A 31 11.363 4.439 0.693 1.00 0.00 C ATOM 443 C ALA A 31 11.750 4.152 2.140 1.00 0.00 C ATOM 444 O ALA A 31 10.893 3.834 2.974 1.00 0.00 O ATOM 445 CB ALA A 31 11.486 3.158 -0.121 1.00 0.00 C ATOM 0 H ALA A 31 12.749 5.191 -0.689 1.00 0.00 H new ATOM 0 HA ALA A 31 10.332 4.793 0.668 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.853 2.387 0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.171 3.347 -1.147 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.523 2.822 -0.116 1.00 0.00 H new ATOM 451 N ALA A 32 13.038 4.278 2.435 1.00 0.00 N ATOM 452 CA ALA A 32 13.533 4.007 3.778 1.00 0.00 C ATOM 453 C ALA A 32 13.019 5.025 4.781 1.00 0.00 C ATOM 454 O ALA A 32 13.129 4.821 5.993 1.00 0.00 O ATOM 455 CB ALA A 32 15.063 4.019 3.777 1.00 0.00 C ATOM 0 H ALA A 32 13.754 4.564 1.767 1.00 0.00 H new ATOM 0 HA ALA A 32 13.167 3.024 4.076 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.429 3.816 4.783 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.432 3.253 3.095 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.419 4.997 3.452 1.00 0.00 H new ATOM 461 N THR A 33 12.464 6.119 4.277 1.00 0.00 N ATOM 462 CA THR A 33 11.937 7.171 5.142 1.00 0.00 C ATOM 463 C THR A 33 10.571 7.624 4.660 1.00 0.00 C ATOM 464 O THR A 33 10.232 8.810 4.743 1.00 0.00 O ATOM 465 CB THR A 33 12.902 8.356 5.165 1.00 0.00 C ATOM 466 OG1 THR A 33 13.337 8.631 3.848 1.00 0.00 O ATOM 467 CG2 THR A 33 14.113 8.018 6.041 1.00 0.00 C ATOM 0 H THR A 33 12.366 6.303 3.278 1.00 0.00 H new ATOM 0 HA THR A 33 11.833 6.772 6.151 1.00 0.00 H new ATOM 0 HB THR A 33 12.394 9.229 5.573 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.955 9.392 3.860 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.799 8.865 6.055 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.779 7.804 7.056 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.623 7.144 5.635 1.00 0.00 H new ATOM 475 N ILE A 34 9.778 6.676 4.169 1.00 0.00 N ATOM 476 CA ILE A 34 8.443 7.011 3.710 1.00 0.00 C ATOM 477 C ILE A 34 7.510 7.221 4.898 1.00 0.00 C ATOM 478 O ILE A 34 7.125 8.349 5.191 1.00 0.00 O ATOM 479 CB ILE A 34 7.903 5.880 2.800 1.00 0.00 C ATOM 480 CG1 ILE A 34 8.272 6.189 1.344 1.00 0.00 C ATOM 481 CG2 ILE A 34 6.377 5.764 2.911 1.00 0.00 C ATOM 482 CD1 ILE A 34 7.500 7.423 0.842 1.00 0.00 C ATOM 0 H ILE A 34 10.033 5.692 4.081 1.00 0.00 H new ATOM 0 HA ILE A 34 8.488 7.938 3.138 1.00 0.00 H new ATOM 0 HB ILE A 34 8.349 4.938 3.119 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.344 6.367 1.264 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.044 5.329 0.714 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.025 4.962 2.262 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.103 5.542 3.942 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.918 6.705 2.608 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.774 7.628 -0.193 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.429 7.231 0.902 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.750 8.285 1.461 1.00 0.00 H new ATOM 494 N ALA A 35 7.120 6.120 5.533 1.00 0.00 N ATOM 495 CA ALA A 35 6.206 6.182 6.654 1.00 0.00 C ATOM 496 C ALA A 35 5.714 4.788 7.020 1.00 0.00 C ATOM 497 O ALA A 35 4.652 4.648 7.611 1.00 0.00 O ATOM 498 CB ALA A 35 5.003 7.079 6.321 1.00 0.00 C ATOM 0 H ALA A 35 7.425 5.179 5.286 1.00 0.00 H new ATOM 0 HA ALA A 35 6.743 6.606 7.503 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.327 7.113 7.175 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.352 8.086 6.094 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.475 6.674 5.457 1.00 0.00 H new ATOM 504 N THR A 36 6.473 3.762 6.642 1.00 0.00 N ATOM 505 CA THR A 36 6.079 2.384 6.920 1.00 0.00 C ATOM 506 C THR A 36 5.358 2.288 8.263 1.00 0.00 C ATOM 507 O THR A 36 4.353 1.589 8.378 1.00 0.00 O ATOM 508 CB THR A 36 7.332 1.509 6.984 1.00 0.00 C ATOM 509 OG1 THR A 36 8.073 1.828 8.156 1.00 0.00 O ATOM 510 CG2 THR A 36 8.201 1.761 5.752 1.00 0.00 C ATOM 0 H THR A 36 7.359 3.858 6.145 1.00 0.00 H new ATOM 0 HA THR A 36 5.410 2.049 6.127 1.00 0.00 H new ATOM 0 HB THR A 36 7.037 0.460 7.010 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.875 1.267 8.199 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.093 1.136 5.802 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.636 1.517 4.852 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.495 2.810 5.722 1.00 0.00 H new ATOM 518 N ASP A 37 5.853 3.017 9.259 1.00 0.00 N ATOM 519 CA ASP A 37 5.227 3.013 10.579 1.00 0.00 C ATOM 520 C ASP A 37 4.271 4.189 10.727 1.00 0.00 C ATOM 521 O ASP A 37 3.392 4.181 11.590 1.00 0.00 O ATOM 522 CB ASP A 37 6.308 3.100 11.650 1.00 0.00 C ATOM 523 CG ASP A 37 5.693 2.881 13.027 1.00 0.00 C ATOM 524 OD1 ASP A 37 4.486 2.733 13.098 1.00 0.00 O ATOM 525 OD2 ASP A 37 6.442 2.851 13.991 1.00 0.00 O ATOM 0 H ASP A 37 6.677 3.613 9.180 1.00 0.00 H new ATOM 0 HA ASP A 37 4.661 2.089 10.694 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.078 2.352 11.463 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.794 4.075 11.610 1.00 0.00 H new ATOM 530 N LEU A 38 4.442 5.204 9.888 1.00 0.00 N ATOM 531 CA LEU A 38 3.583 6.378 9.947 1.00 0.00 C ATOM 532 C LEU A 38 2.450 6.285 8.928 1.00 0.00 C ATOM 533 O LEU A 38 2.551 5.582 7.927 1.00 0.00 O ATOM 534 CB LEU A 38 4.419 7.651 9.675 1.00 0.00 C ATOM 535 CG LEU A 38 5.026 8.178 10.989 1.00 0.00 C ATOM 536 CD1 LEU A 38 6.362 7.490 11.239 1.00 0.00 C ATOM 537 CD2 LEU A 38 5.229 9.685 10.885 1.00 0.00 C ATOM 0 H LEU A 38 5.161 5.237 9.165 1.00 0.00 H new ATOM 0 HA LEU A 38 3.145 6.428 10.944 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.213 7.428 8.962 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.791 8.418 9.223 1.00 0.00 H new ATOM 0 HG LEU A 38 4.351 7.964 11.818 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.794 7.861 12.168 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.208 6.414 11.315 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.041 7.702 10.413 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.659 10.059 11.814 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.905 9.905 10.058 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.269 10.170 10.708 1.00 0.00 H new ATOM 549 N PRO A 39 1.384 7.002 9.158 1.00 0.00 N ATOM 550 CA PRO A 39 0.224 7.029 8.228 1.00 0.00 C ATOM 551 C PRO A 39 0.556 7.764 6.929 1.00 0.00 C ATOM 552 O PRO A 39 1.639 8.328 6.779 1.00 0.00 O ATOM 553 CB PRO A 39 -0.863 7.773 9.024 1.00 0.00 C ATOM 554 CG PRO A 39 -0.119 8.613 10.015 1.00 0.00 C ATOM 555 CD PRO A 39 1.154 7.847 10.349 1.00 0.00 C ATOM 0 HA PRO A 39 -0.083 6.030 7.919 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.478 8.390 8.369 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.532 7.074 9.525 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.114 9.593 9.598 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.718 8.782 10.910 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.991 8.522 10.528 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.033 7.244 11.249 1.00 0.00 H new ATOM 563 N LEU A 40 -0.393 7.774 6.008 1.00 0.00 N ATOM 564 CA LEU A 40 -0.212 8.470 4.740 1.00 0.00 C ATOM 565 C LEU A 40 -0.324 9.979 4.921 1.00 0.00 C ATOM 566 O LEU A 40 0.192 10.755 4.118 1.00 0.00 O ATOM 567 CB LEU A 40 -1.256 7.984 3.721 1.00 0.00 C ATOM 568 CG LEU A 40 -2.640 8.551 4.072 1.00 0.00 C ATOM 569 CD1 LEU A 40 -3.631 8.193 2.976 1.00 0.00 C ATOM 570 CD2 LEU A 40 -3.107 7.964 5.405 1.00 0.00 C ATOM 0 H LEU A 40 -1.295 7.310 6.112 1.00 0.00 H new ATOM 0 HA LEU A 40 0.788 8.246 4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.970 8.298 2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.291 6.895 3.716 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.578 9.636 4.157 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.612 8.596 3.227 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.296 8.617 2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.697 7.109 2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.089 8.366 5.655 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.169 6.879 5.323 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.396 8.229 6.188 1.00 0.00 H new ATOM 582 N THR A 41 -1.034 10.388 5.968 1.00 0.00 N ATOM 583 CA THR A 41 -1.243 11.802 6.235 1.00 0.00 C ATOM 584 C THR A 41 0.094 12.529 6.238 1.00 0.00 C ATOM 585 O THR A 41 0.165 13.686 5.856 1.00 0.00 O ATOM 586 CB THR A 41 -1.933 11.990 7.591 1.00 0.00 C ATOM 587 OG1 THR A 41 -2.951 11.012 7.736 1.00 0.00 O ATOM 588 CG2 THR A 41 -2.556 13.387 7.664 1.00 0.00 C ATOM 0 H THR A 41 -1.472 9.760 6.642 1.00 0.00 H new ATOM 0 HA THR A 41 -1.880 12.216 5.453 1.00 0.00 H new ATOM 0 HB THR A 41 -1.200 11.881 8.390 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.394 11.127 8.603 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.046 13.517 8.629 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.776 14.140 7.548 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.290 13.500 6.867 1.00 0.00 H new ATOM 596 N SER A 42 1.138 11.850 6.704 1.00 0.00 N ATOM 597 CA SER A 42 2.463 12.455 6.770 1.00 0.00 C ATOM 598 C SER A 42 2.776 13.201 5.475 1.00 0.00 C ATOM 599 O SER A 42 3.481 14.209 5.490 1.00 0.00 O ATOM 600 CB SER A 42 3.514 11.365 6.994 1.00 0.00 C ATOM 601 OG SER A 42 3.798 10.724 5.755 1.00 0.00 O ATOM 0 H SER A 42 1.093 10.888 7.039 1.00 0.00 H new ATOM 0 HA SER A 42 2.482 13.163 7.598 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.423 11.800 7.408 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.150 10.636 7.719 1.00 0.00 H new ATOM 0 HG SER A 42 2.964 10.585 5.260 1.00 0.00 H new ATOM 607 N TYR A 43 2.251 12.703 4.363 1.00 0.00 N ATOM 608 CA TYR A 43 2.489 13.330 3.066 1.00 0.00 C ATOM 609 C TYR A 43 1.734 14.646 2.955 1.00 0.00 C ATOM 610 O TYR A 43 1.911 15.386 1.990 1.00 0.00 O ATOM 611 CB TYR A 43 2.057 12.375 1.950 1.00 0.00 C ATOM 612 CG TYR A 43 2.448 10.958 2.302 1.00 0.00 C ATOM 613 CD1 TYR A 43 3.609 10.700 3.055 1.00 0.00 C ATOM 614 CD2 TYR A 43 1.645 9.890 1.877 1.00 0.00 C ATOM 615 CE1 TYR A 43 3.958 9.397 3.376 1.00 0.00 C ATOM 616 CE2 TYR A 43 2.004 8.578 2.202 1.00 0.00 C ATOM 617 CZ TYR A 43 3.159 8.333 2.954 1.00 0.00 C ATOM 618 OH TYR A 43 3.509 7.040 3.283 1.00 0.00 O ATOM 0 H TYR A 43 1.661 11.872 4.331 1.00 0.00 H new ATOM 0 HA TYR A 43 3.554 13.543 2.968 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.979 12.438 1.804 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.524 12.667 1.009 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.230 11.520 3.384 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.752 10.080 1.300 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.850 9.205 3.954 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.390 7.753 1.873 1.00 0.00 H new ATOM 0 HH TYR A 43 2.848 6.418 2.914 1.00 0.00 H new ATOM 628 N GLY A 44 0.909 14.933 3.944 1.00 0.00 N ATOM 629 CA GLY A 44 0.148 16.172 3.956 1.00 0.00 C ATOM 630 C GLY A 44 -0.803 16.235 2.768 1.00 0.00 C ATOM 631 O GLY A 44 -1.213 17.315 2.346 1.00 0.00 O ATOM 0 H GLY A 44 0.747 14.328 4.749 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.418 16.247 4.885 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.829 17.023 3.928 1.00 0.00 H new ATOM 635 N LEU A 45 -1.141 15.079 2.227 1.00 0.00 N ATOM 636 CA LEU A 45 -2.042 15.016 1.085 1.00 0.00 C ATOM 637 C LEU A 45 -3.477 15.370 1.493 1.00 0.00 C ATOM 638 O LEU A 45 -3.982 14.910 2.514 1.00 0.00 O ATOM 639 CB LEU A 45 -2.004 13.610 0.472 1.00 0.00 C ATOM 640 CG LEU A 45 -2.801 12.623 1.344 1.00 0.00 C ATOM 641 CD1 LEU A 45 -2.757 11.230 0.731 1.00 0.00 C ATOM 642 CD2 LEU A 45 -2.187 12.589 2.751 1.00 0.00 C ATOM 0 H LEU A 45 -0.808 14.173 2.556 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.710 15.745 0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.421 13.634 -0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.971 13.273 0.382 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.840 12.948 1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.324 10.540 1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.193 11.258 -0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.722 10.894 0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.746 11.892 3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.148 12.266 2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.230 13.585 3.191 1.00 0.00 H new ATOM 654 N ASP A 46 -4.130 16.181 0.690 1.00 0.00 N ATOM 655 CA ASP A 46 -5.504 16.568 0.983 1.00 0.00 C ATOM 656 C ASP A 46 -6.428 15.351 0.918 1.00 0.00 C ATOM 657 O ASP A 46 -5.986 14.240 0.626 1.00 0.00 O ATOM 658 CB ASP A 46 -5.973 17.618 -0.023 1.00 0.00 C ATOM 659 CG ASP A 46 -5.311 18.958 0.278 1.00 0.00 C ATOM 660 OD1 ASP A 46 -4.835 19.127 1.387 1.00 0.00 O ATOM 661 OD2 ASP A 46 -5.286 19.793 -0.610 1.00 0.00 O ATOM 0 H ASP A 46 -3.743 16.585 -0.163 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.539 16.985 1.989 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.726 17.300 -1.036 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.057 17.720 0.023 1.00 0.00 H new ATOM 666 N SER A 47 -7.710 15.572 1.195 1.00 0.00 N ATOM 667 CA SER A 47 -8.688 14.490 1.158 1.00 0.00 C ATOM 668 C SER A 47 -8.963 14.055 -0.278 1.00 0.00 C ATOM 669 O SER A 47 -9.191 12.876 -0.548 1.00 0.00 O ATOM 670 CB SER A 47 -9.987 14.944 1.818 1.00 0.00 C ATOM 671 OG SER A 47 -10.409 16.171 1.234 1.00 0.00 O ATOM 0 H SER A 47 -8.093 16.483 1.446 1.00 0.00 H new ATOM 0 HA SER A 47 -8.280 13.639 1.704 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.758 14.184 1.691 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.838 15.071 2.890 1.00 0.00 H new ATOM 0 HG SER A 47 -11.244 16.464 1.655 1.00 0.00 H new ATOM 677 N VAL A 48 -8.944 15.016 -1.193 1.00 0.00 N ATOM 678 CA VAL A 48 -9.194 14.731 -2.600 1.00 0.00 C ATOM 679 C VAL A 48 -8.096 13.836 -3.158 1.00 0.00 C ATOM 680 O VAL A 48 -8.297 13.143 -4.139 1.00 0.00 O ATOM 681 CB VAL A 48 -9.264 16.030 -3.402 1.00 0.00 C ATOM 682 CG1 VAL A 48 -7.894 16.706 -3.399 1.00 0.00 C ATOM 683 CG2 VAL A 48 -9.678 15.721 -4.842 1.00 0.00 C ATOM 0 H VAL A 48 -8.758 15.998 -0.987 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.150 14.214 -2.684 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.998 16.696 -2.949 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.944 17.632 -3.971 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.600 16.928 -2.373 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.159 16.040 -3.851 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.728 16.648 -5.413 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.945 15.054 -5.296 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.656 15.241 -4.844 1.00 0.00 H new ATOM 693 N TYR A 49 -6.933 13.871 -2.531 1.00 0.00 N ATOM 694 CA TYR A 49 -5.815 13.052 -2.981 1.00 0.00 C ATOM 695 C TYR A 49 -6.079 11.575 -2.714 1.00 0.00 C ATOM 696 O TYR A 49 -5.811 10.722 -3.560 1.00 0.00 O ATOM 697 CB TYR A 49 -4.524 13.492 -2.256 1.00 0.00 C ATOM 698 CG TYR A 49 -3.410 13.705 -3.261 1.00 0.00 C ATOM 699 CD1 TYR A 49 -3.586 14.620 -4.307 1.00 0.00 C ATOM 700 CD2 TYR A 49 -2.219 12.983 -3.152 1.00 0.00 C ATOM 701 CE1 TYR A 49 -2.570 14.814 -5.242 1.00 0.00 C ATOM 702 CE2 TYR A 49 -1.203 13.179 -4.084 1.00 0.00 C ATOM 703 CZ TYR A 49 -1.375 14.095 -5.132 1.00 0.00 C ATOM 704 OH TYR A 49 -0.369 14.285 -6.055 1.00 0.00 O ATOM 0 H TYR A 49 -6.736 14.451 -1.716 1.00 0.00 H new ATOM 0 HA TYR A 49 -5.697 13.190 -4.056 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.705 14.413 -1.701 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.229 12.735 -1.530 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.509 15.175 -4.389 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.087 12.275 -2.347 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.705 15.518 -6.050 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.280 12.624 -4.000 1.00 0.00 H new ATOM 0 HH TYR A 49 0.392 13.709 -5.832 1.00 0.00 H new ATOM 714 N ALA A 50 -6.577 11.280 -1.521 1.00 0.00 N ATOM 715 CA ALA A 50 -6.848 9.900 -1.137 1.00 0.00 C ATOM 716 C ALA A 50 -7.567 9.162 -2.257 1.00 0.00 C ATOM 717 O ALA A 50 -7.285 7.999 -2.522 1.00 0.00 O ATOM 718 CB ALA A 50 -7.716 9.868 0.122 1.00 0.00 C ATOM 0 H ALA A 50 -6.801 11.972 -0.806 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.895 9.408 -0.940 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.913 8.833 0.402 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.194 10.371 0.936 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.660 10.377 -0.074 1.00 0.00 H new ATOM 724 N LEU A 51 -8.481 9.847 -2.919 1.00 0.00 N ATOM 725 CA LEU A 51 -9.219 9.246 -4.017 1.00 0.00 C ATOM 726 C LEU A 51 -8.288 8.935 -5.194 1.00 0.00 C ATOM 727 O LEU A 51 -8.458 7.930 -5.895 1.00 0.00 O ATOM 728 CB LEU A 51 -10.365 10.197 -4.439 1.00 0.00 C ATOM 729 CG LEU A 51 -9.889 11.146 -5.558 1.00 0.00 C ATOM 730 CD1 LEU A 51 -9.992 10.441 -6.931 1.00 0.00 C ATOM 731 CD2 LEU A 51 -10.719 12.415 -5.550 1.00 0.00 C ATOM 0 H LEU A 51 -8.730 10.815 -2.718 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.649 8.299 -3.690 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.220 9.616 -4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.701 10.777 -3.579 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.847 11.411 -5.381 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.654 11.119 -7.714 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.367 9.548 -6.929 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -11.028 10.158 -7.118 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.376 13.079 -6.343 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -11.767 12.165 -5.714 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.611 12.914 -4.587 1.00 0.00 H new ATOM 743 N SER A 52 -7.342 9.837 -5.439 1.00 0.00 N ATOM 744 CA SER A 52 -6.423 9.686 -6.551 1.00 0.00 C ATOM 745 C SER A 52 -5.415 8.601 -6.244 1.00 0.00 C ATOM 746 O SER A 52 -5.240 7.667 -7.020 1.00 0.00 O ATOM 747 CB SER A 52 -5.697 11.012 -6.818 1.00 0.00 C ATOM 748 OG SER A 52 -5.152 10.988 -8.133 1.00 0.00 O ATOM 0 H SER A 52 -7.196 10.678 -4.880 1.00 0.00 H new ATOM 0 HA SER A 52 -6.988 9.406 -7.440 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.389 11.847 -6.713 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.904 11.161 -6.085 1.00 0.00 H new ATOM 0 HG SER A 52 -4.688 11.833 -8.310 1.00 0.00 H new ATOM 754 N ILE A 53 -4.756 8.726 -5.096 1.00 0.00 N ATOM 755 CA ILE A 53 -3.760 7.737 -4.696 1.00 0.00 C ATOM 756 C ILE A 53 -4.402 6.369 -4.519 1.00 0.00 C ATOM 757 O ILE A 53 -3.948 5.383 -5.096 1.00 0.00 O ATOM 758 CB ILE A 53 -3.100 8.174 -3.382 1.00 0.00 C ATOM 759 CG1 ILE A 53 -2.563 9.603 -3.533 1.00 0.00 C ATOM 760 CG2 ILE A 53 -1.943 7.229 -3.054 1.00 0.00 C ATOM 761 CD1 ILE A 53 -1.578 9.674 -4.709 1.00 0.00 C ATOM 0 H ILE A 53 -4.890 9.491 -4.434 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.005 7.666 -5.479 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.835 8.143 -2.577 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.389 10.295 -3.698 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.067 9.913 -2.613 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.474 7.539 -2.120 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.322 6.212 -2.950 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.208 7.261 -3.858 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.202 10.692 -4.808 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.744 8.996 -4.527 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.087 9.384 -5.628 1.00 0.00 H new ATOM 773 N ALA A 54 -5.462 6.319 -3.720 1.00 0.00 N ATOM 774 CA ALA A 54 -6.154 5.062 -3.471 1.00 0.00 C ATOM 775 C ALA A 54 -6.567 4.419 -4.789 1.00 0.00 C ATOM 776 O ALA A 54 -6.423 3.206 -4.968 1.00 0.00 O ATOM 777 CB ALA A 54 -7.397 5.308 -2.613 1.00 0.00 C ATOM 0 H ALA A 54 -5.857 7.126 -3.238 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.477 4.392 -2.942 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.907 4.362 -2.432 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.101 5.748 -1.661 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.070 5.990 -3.134 1.00 0.00 H new ATOM 783 N ALA A 55 -7.067 5.240 -5.713 1.00 0.00 N ATOM 784 CA ALA A 55 -7.483 4.742 -7.019 1.00 0.00 C ATOM 785 C ALA A 55 -6.282 4.224 -7.807 1.00 0.00 C ATOM 786 O ALA A 55 -6.392 3.265 -8.573 1.00 0.00 O ATOM 787 CB ALA A 55 -8.176 5.853 -7.805 1.00 0.00 C ATOM 0 H ALA A 55 -7.192 6.244 -5.581 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.181 3.918 -6.866 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.483 5.472 -8.779 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.053 6.195 -7.256 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.487 6.686 -7.942 1.00 0.00 H new ATOM 793 N GLU A 56 -5.139 4.872 -7.623 1.00 0.00 N ATOM 794 CA GLU A 56 -3.926 4.467 -8.321 1.00 0.00 C ATOM 795 C GLU A 56 -3.386 3.159 -7.758 1.00 0.00 C ATOM 796 O GLU A 56 -3.044 2.240 -8.506 1.00 0.00 O ATOM 797 CB GLU A 56 -2.859 5.561 -8.189 1.00 0.00 C ATOM 798 CG GLU A 56 -3.191 6.721 -9.131 1.00 0.00 C ATOM 799 CD GLU A 56 -2.977 6.294 -10.579 1.00 0.00 C ATOM 800 OE1 GLU A 56 -1.913 5.770 -10.870 1.00 0.00 O ATOM 801 OE2 GLU A 56 -3.879 6.496 -11.376 1.00 0.00 O ATOM 0 H GLU A 56 -5.026 5.673 -7.002 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.171 4.318 -9.373 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.815 5.917 -7.160 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.876 5.155 -8.429 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.225 7.035 -8.985 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.561 7.580 -8.900 1.00 0.00 H new ATOM 808 N LEU A 57 -3.295 3.081 -6.437 1.00 0.00 N ATOM 809 CA LEU A 57 -2.764 1.885 -5.795 1.00 0.00 C ATOM 810 C LEU A 57 -3.576 0.656 -6.175 1.00 0.00 C ATOM 811 O LEU A 57 -3.017 -0.368 -6.555 1.00 0.00 O ATOM 812 CB LEU A 57 -2.820 2.066 -4.268 1.00 0.00 C ATOM 813 CG LEU A 57 -1.933 3.243 -3.848 1.00 0.00 C ATOM 814 CD1 LEU A 57 -2.284 3.659 -2.417 1.00 0.00 C ATOM 815 CD2 LEU A 57 -0.460 2.829 -3.899 1.00 0.00 C ATOM 0 H LEU A 57 -3.578 3.822 -5.795 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.736 1.742 -6.127 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.848 2.243 -3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.487 1.154 -3.773 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.101 4.077 -4.530 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.654 4.496 -2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.331 3.958 -2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.117 2.819 -1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.165 3.670 -3.599 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.293 1.993 -3.220 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.201 2.529 -4.914 1.00 0.00 H new ATOM 827 N GLU A 58 -4.890 0.768 -6.075 1.00 0.00 N ATOM 828 CA GLU A 58 -5.767 -0.348 -6.413 1.00 0.00 C ATOM 829 C GLU A 58 -5.750 -0.611 -7.917 1.00 0.00 C ATOM 830 O GLU A 58 -5.824 -1.754 -8.351 1.00 0.00 O ATOM 831 CB GLU A 58 -7.184 -0.053 -5.958 1.00 0.00 C ATOM 832 CG GLU A 58 -7.670 1.274 -6.568 1.00 0.00 C ATOM 833 CD GLU A 58 -8.469 1.011 -7.838 1.00 0.00 C ATOM 834 OE1 GLU A 58 -8.228 -0.008 -8.464 1.00 0.00 O ATOM 835 OE2 GLU A 58 -9.303 1.831 -8.170 1.00 0.00 O ATOM 0 H GLU A 58 -5.373 1.611 -5.766 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.403 -1.238 -5.900 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.847 -0.865 -6.258 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.221 0.003 -4.870 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.287 1.809 -5.846 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.816 1.913 -6.793 1.00 0.00 H new ATOM 842 N ASP A 59 -5.648 0.454 -8.701 1.00 0.00 N ATOM 843 CA ASP A 59 -5.618 0.317 -10.155 1.00 0.00 C ATOM 844 C ASP A 59 -4.417 -0.517 -10.571 1.00 0.00 C ATOM 845 O ASP A 59 -4.500 -1.317 -11.500 1.00 0.00 O ATOM 846 CB ASP A 59 -5.539 1.707 -10.804 1.00 0.00 C ATOM 847 CG ASP A 59 -6.939 2.307 -10.951 1.00 0.00 C ATOM 848 OD1 ASP A 59 -7.895 1.553 -10.942 1.00 0.00 O ATOM 849 OD2 ASP A 59 -7.031 3.514 -11.070 1.00 0.00 O ATOM 0 H ASP A 59 -5.585 1.414 -8.361 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.528 -0.182 -10.487 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.917 2.364 -10.197 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.064 1.632 -11.782 1.00 0.00 H new ATOM 854 N HIS A 60 -3.307 -0.339 -9.873 1.00 0.00 N ATOM 855 CA HIS A 60 -2.109 -1.106 -10.180 1.00 0.00 C ATOM 856 C HIS A 60 -2.332 -2.583 -9.887 1.00 0.00 C ATOM 857 O HIS A 60 -1.841 -3.450 -10.604 1.00 0.00 O ATOM 858 CB HIS A 60 -0.928 -0.580 -9.316 1.00 0.00 C ATOM 859 CG HIS A 60 -0.165 0.469 -10.105 1.00 0.00 C ATOM 860 ND1 HIS A 60 0.629 0.144 -11.198 1.00 0.00 N ATOM 861 CD2 HIS A 60 -0.086 1.834 -9.982 1.00 0.00 C ATOM 862 CE1 HIS A 60 1.146 1.287 -11.681 1.00 0.00 C ATOM 863 NE2 HIS A 60 0.743 2.348 -10.976 1.00 0.00 N ATOM 0 H HIS A 60 -3.209 0.320 -9.101 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.877 -0.990 -11.239 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.303 -0.152 -8.386 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.266 -1.402 -9.044 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -0.590 2.421 -9.228 1.00 0.00 H new ATOM 0 HE1 HIS A 60 1.806 1.341 -12.534 1.00 0.00 H new ATOM 0 HE2 HIS A 60 0.990 3.325 -11.132 1.00 0.00 H new ATOM 872 N LEU A 61 -3.004 -2.861 -8.783 1.00 0.00 N ATOM 873 CA LEU A 61 -3.228 -4.234 -8.342 1.00 0.00 C ATOM 874 C LEU A 61 -4.395 -4.831 -9.036 1.00 0.00 C ATOM 875 O LEU A 61 -4.309 -6.003 -9.355 1.00 0.00 O ATOM 876 CB LEU A 61 -3.433 -4.281 -6.822 1.00 0.00 C ATOM 877 CG LEU A 61 -2.083 -4.012 -6.109 1.00 0.00 C ATOM 878 CD1 LEU A 61 -1.188 -3.064 -6.940 1.00 0.00 C ATOM 879 CD2 LEU A 61 -2.351 -3.353 -4.755 1.00 0.00 C ATOM 0 H LEU A 61 -3.407 -2.152 -8.170 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.344 -4.819 -8.596 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.170 -3.537 -6.521 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.824 -5.255 -6.527 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.571 -4.966 -5.986 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.249 -2.895 -6.413 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.983 -3.515 -7.911 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.700 -2.112 -7.083 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.404 -3.162 -4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.878 -2.411 -4.907 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.962 -4.016 -4.142 1.00 0.00 H new ATOM 891 N ASP A 62 -5.465 -4.045 -9.203 1.00 0.00 N ATOM 892 CA ASP A 62 -6.692 -4.517 -9.836 1.00 0.00 C ATOM 893 C ASP A 62 -7.689 -4.939 -8.764 1.00 0.00 C ATOM 894 O ASP A 62 -8.061 -6.107 -8.670 1.00 0.00 O ATOM 895 CB ASP A 62 -6.400 -5.707 -10.746 1.00 0.00 C ATOM 896 CG ASP A 62 -5.284 -5.339 -11.729 1.00 0.00 C ATOM 897 OD1 ASP A 62 -5.385 -4.286 -12.341 1.00 0.00 O ATOM 898 OD2 ASP A 62 -4.331 -6.095 -11.829 1.00 0.00 O ATOM 0 H ASP A 62 -5.500 -3.071 -8.904 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.109 -3.707 -10.434 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.104 -6.570 -10.150 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.300 -5.991 -11.291 1.00 0.00 H new ATOM 903 N VAL A 63 -8.128 -3.971 -7.955 1.00 0.00 N ATOM 904 CA VAL A 63 -9.087 -4.256 -6.887 1.00 0.00 C ATOM 905 C VAL A 63 -9.860 -3.006 -6.498 1.00 0.00 C ATOM 906 O VAL A 63 -9.516 -1.910 -6.898 1.00 0.00 O ATOM 907 CB VAL A 63 -8.329 -4.788 -5.669 1.00 0.00 C ATOM 908 CG1 VAL A 63 -7.890 -6.227 -5.918 1.00 0.00 C ATOM 909 CG2 VAL A 63 -7.085 -3.922 -5.430 1.00 0.00 C ATOM 0 H VAL A 63 -7.838 -2.995 -8.018 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.800 -4.999 -7.245 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.983 -4.754 -4.798 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.351 -6.599 -5.047 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.767 -6.849 -6.095 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.238 -6.263 -6.791 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.542 -4.297 -4.563 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.440 -3.962 -6.308 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.389 -2.891 -5.249 1.00 0.00 H new ATOM 919 N SER A 64 -10.921 -3.183 -5.722 1.00 0.00 N ATOM 920 CA SER A 64 -11.735 -2.051 -5.274 1.00 0.00 C ATOM 921 C SER A 64 -11.555 -1.837 -3.778 1.00 0.00 C ATOM 922 O SER A 64 -11.668 -2.771 -2.986 1.00 0.00 O ATOM 923 CB SER A 64 -13.207 -2.310 -5.572 1.00 0.00 C ATOM 924 OG SER A 64 -13.388 -2.425 -6.976 1.00 0.00 O ATOM 0 H SER A 64 -11.240 -4.093 -5.389 1.00 0.00 H new ATOM 0 HA SER A 64 -11.411 -1.159 -5.810 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.535 -3.223 -5.075 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.818 -1.497 -5.180 1.00 0.00 H new ATOM 0 HG SER A 64 -14.333 -2.593 -7.171 1.00 0.00 H new ATOM 930 N LEU A 65 -11.260 -0.600 -3.393 1.00 0.00 N ATOM 931 CA LEU A 65 -11.057 -0.272 -1.983 1.00 0.00 C ATOM 932 C LEU A 65 -12.305 0.375 -1.404 1.00 0.00 C ATOM 933 O LEU A 65 -13.104 0.969 -2.131 1.00 0.00 O ATOM 934 CB LEU A 65 -9.882 0.697 -1.835 1.00 0.00 C ATOM 935 CG LEU A 65 -8.768 0.304 -2.801 1.00 0.00 C ATOM 936 CD1 LEU A 65 -7.557 1.238 -2.604 1.00 0.00 C ATOM 937 CD2 LEU A 65 -8.349 -1.142 -2.538 1.00 0.00 C ATOM 0 H LEU A 65 -11.156 0.189 -4.031 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.845 -1.195 -1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.211 1.716 -2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.511 0.680 -0.810 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.130 0.395 -3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.763 0.955 -3.295 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.857 2.268 -2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.194 1.152 -1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.553 -1.422 -3.229 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.990 -1.236 -1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.205 -1.801 -2.684 1.00 0.00 H new ATOM 949 N ASP A 66 -12.471 0.264 -0.089 1.00 0.00 N ATOM 950 CA ASP A 66 -13.626 0.857 0.576 1.00 0.00 C ATOM 951 C ASP A 66 -13.280 2.245 1.094 1.00 0.00 C ATOM 952 O ASP A 66 -12.118 2.566 1.303 1.00 0.00 O ATOM 953 CB ASP A 66 -14.078 -0.044 1.745 1.00 0.00 C ATOM 954 CG ASP A 66 -15.319 -0.839 1.352 1.00 0.00 C ATOM 955 OD1 ASP A 66 -15.422 -1.196 0.191 1.00 0.00 O ATOM 956 OD2 ASP A 66 -16.154 -1.058 2.212 1.00 0.00 O ATOM 0 H ASP A 66 -11.827 -0.226 0.532 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.440 0.944 -0.143 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.273 -0.726 2.020 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.292 0.567 2.622 1.00 0.00 H new ATOM 961 N PRO A 67 -14.270 3.064 1.306 1.00 0.00 N ATOM 962 CA PRO A 67 -14.070 4.457 1.806 1.00 0.00 C ATOM 963 C PRO A 67 -13.478 4.498 3.212 1.00 0.00 C ATOM 964 O PRO A 67 -12.301 4.807 3.390 1.00 0.00 O ATOM 965 CB PRO A 67 -15.490 5.058 1.787 1.00 0.00 C ATOM 966 CG PRO A 67 -16.413 3.881 1.836 1.00 0.00 C ATOM 967 CD PRO A 67 -15.694 2.756 1.104 1.00 0.00 C ATOM 0 HA PRO A 67 -13.358 5.008 1.193 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -15.649 5.719 2.639 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -15.655 5.651 0.887 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -16.632 3.599 2.866 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -17.365 4.111 1.359 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -15.955 1.780 1.514 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -15.953 2.737 0.046 1.00 0.00 H new ATOM 975 N THR A 68 -14.310 4.204 4.206 1.00 0.00 N ATOM 976 CA THR A 68 -13.866 4.236 5.591 1.00 0.00 C ATOM 977 C THR A 68 -12.719 3.256 5.809 1.00 0.00 C ATOM 978 O THR A 68 -12.021 3.318 6.820 1.00 0.00 O ATOM 979 CB THR A 68 -15.028 3.871 6.521 1.00 0.00 C ATOM 980 OG1 THR A 68 -15.468 2.551 6.232 1.00 0.00 O ATOM 981 CG2 THR A 68 -16.183 4.852 6.309 1.00 0.00 C ATOM 0 H THR A 68 -15.288 3.943 4.078 1.00 0.00 H new ATOM 0 HA THR A 68 -13.519 5.244 5.817 1.00 0.00 H new ATOM 0 HB THR A 68 -14.694 3.925 7.557 1.00 0.00 H new ATOM 0 HG1 THR A 68 -16.210 2.316 6.827 1.00 0.00 H new ATOM 0 HG21 THR A 68 -17.008 4.591 6.971 1.00 0.00 H new ATOM 0 HG22 THR A 68 -15.846 5.864 6.531 1.00 0.00 H new ATOM 0 HG23 THR A 68 -16.519 4.801 5.273 1.00 0.00 H new ATOM 989 N LEU A 69 -12.530 2.356 4.853 1.00 0.00 N ATOM 990 CA LEU A 69 -11.463 1.377 4.943 1.00 0.00 C ATOM 991 C LEU A 69 -10.100 2.029 4.716 1.00 0.00 C ATOM 992 O LEU A 69 -9.116 1.680 5.363 1.00 0.00 O ATOM 993 CB LEU A 69 -11.690 0.267 3.916 1.00 0.00 C ATOM 994 CG LEU A 69 -10.622 -0.827 4.091 1.00 0.00 C ATOM 995 CD1 LEU A 69 -11.121 -2.131 3.466 1.00 0.00 C ATOM 996 CD2 LEU A 69 -9.295 -0.398 3.418 1.00 0.00 C ATOM 0 H LEU A 69 -13.101 2.286 4.011 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.472 0.950 5.946 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.685 -0.159 4.041 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.643 0.677 2.907 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.440 -0.978 5.155 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.365 -2.906 3.590 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.043 -2.441 3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.311 -1.976 2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.550 -1.182 3.551 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.463 -0.233 2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.937 0.524 3.875 1.00 0.00 H new ATOM 1008 N ILE A 70 -10.048 2.978 3.792 1.00 0.00 N ATOM 1009 CA ILE A 70 -8.795 3.658 3.477 1.00 0.00 C ATOM 1010 C ILE A 70 -8.232 4.325 4.721 1.00 0.00 C ATOM 1011 O ILE A 70 -7.025 4.283 4.961 1.00 0.00 O ATOM 1012 CB ILE A 70 -9.037 4.701 2.381 1.00 0.00 C ATOM 1013 CG1 ILE A 70 -9.340 3.989 1.049 1.00 0.00 C ATOM 1014 CG2 ILE A 70 -7.787 5.568 2.214 1.00 0.00 C ATOM 1015 CD1 ILE A 70 -10.130 4.926 0.132 1.00 0.00 C ATOM 0 H ILE A 70 -10.852 3.295 3.249 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.071 2.925 3.120 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.883 5.328 2.662 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.410 3.690 0.565 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.910 3.079 1.234 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.960 6.310 1.434 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.567 6.074 3.154 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.942 4.938 1.935 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.343 4.420 -0.809 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -11.067 5.203 0.615 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.543 5.824 -0.063 1.00 0.00 H new ATOM 1027 N TRP A 71 -9.105 4.944 5.501 1.00 0.00 N ATOM 1028 CA TRP A 71 -8.679 5.612 6.724 1.00 0.00 C ATOM 1029 C TRP A 71 -8.462 4.590 7.834 1.00 0.00 C ATOM 1030 O TRP A 71 -7.938 4.917 8.898 1.00 0.00 O ATOM 1031 CB TRP A 71 -9.732 6.632 7.161 1.00 0.00 C ATOM 1032 CG TRP A 71 -9.703 7.808 6.239 1.00 0.00 C ATOM 1033 CD1 TRP A 71 -10.618 8.064 5.276 1.00 0.00 C ATOM 1034 CD2 TRP A 71 -8.723 8.884 6.173 1.00 0.00 C ATOM 1035 NE1 TRP A 71 -10.265 9.231 4.625 1.00 0.00 N ATOM 1036 CE2 TRP A 71 -9.104 9.773 5.142 1.00 0.00 C ATOM 1037 CE3 TRP A 71 -7.553 9.173 6.899 1.00 0.00 C ATOM 1038 CZ2 TRP A 71 -8.352 10.910 4.842 1.00 0.00 C ATOM 1039 CZ3 TRP A 71 -6.795 10.316 6.600 1.00 0.00 C ATOM 1040 CH2 TRP A 71 -7.194 11.183 5.574 1.00 0.00 C ATOM 0 H TRP A 71 -10.106 4.999 5.312 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.740 6.130 6.528 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -10.721 6.175 7.153 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -9.538 6.954 8.184 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.482 7.456 5.053 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.796 9.642 3.857 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -7.236 8.511 7.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -8.663 11.574 4.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -5.899 10.528 7.164 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -6.607 12.061 5.349 1.00 0.00 H new ATOM 1051 N ASP A 72 -8.871 3.349 7.577 1.00 0.00 N ATOM 1052 CA ASP A 72 -8.708 2.276 8.559 1.00 0.00 C ATOM 1053 C ASP A 72 -7.291 1.726 8.518 1.00 0.00 C ATOM 1054 O ASP A 72 -6.716 1.382 9.551 1.00 0.00 O ATOM 1055 CB ASP A 72 -9.700 1.149 8.279 1.00 0.00 C ATOM 1056 CG ASP A 72 -9.749 0.196 9.468 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -8.933 0.353 10.363 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -10.598 -0.677 9.465 1.00 0.00 O ATOM 0 H ASP A 72 -9.314 3.062 6.705 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.900 2.688 9.550 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.691 1.563 8.092 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.405 0.608 7.380 1.00 0.00 H new ATOM 1063 N HIS A 73 -6.726 1.645 7.312 1.00 0.00 N ATOM 1064 CA HIS A 73 -5.360 1.137 7.138 1.00 0.00 C ATOM 1065 C HIS A 73 -4.475 2.194 6.479 1.00 0.00 C ATOM 1066 O HIS A 73 -3.920 1.969 5.405 1.00 0.00 O ATOM 1067 CB HIS A 73 -5.385 -0.123 6.276 1.00 0.00 C ATOM 1068 CG HIS A 73 -6.474 -1.039 6.761 1.00 0.00 C ATOM 1069 ND1 HIS A 73 -6.876 -1.076 8.087 1.00 0.00 N ATOM 1070 CD2 HIS A 73 -7.258 -1.955 6.106 1.00 0.00 C ATOM 1071 CE1 HIS A 73 -7.860 -1.989 8.186 1.00 0.00 C ATOM 1072 NE2 HIS A 73 -8.133 -2.554 7.007 1.00 0.00 N ATOM 0 H HIS A 73 -7.188 1.922 6.446 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.949 0.899 8.119 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.555 0.141 5.232 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.421 -0.629 6.324 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -6.496 -0.514 8.849 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.204 -2.177 5.051 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.367 -2.235 9.107 1.00 0.00 H new ATOM 1081 N PRO A 74 -4.335 3.333 7.105 1.00 0.00 N ATOM 1082 CA PRO A 74 -3.501 4.447 6.577 1.00 0.00 C ATOM 1083 C PRO A 74 -2.014 4.158 6.701 1.00 0.00 C ATOM 1084 O PRO A 74 -1.185 4.960 6.281 1.00 0.00 O ATOM 1085 CB PRO A 74 -3.899 5.643 7.454 1.00 0.00 C ATOM 1086 CG PRO A 74 -4.358 5.045 8.743 1.00 0.00 C ATOM 1087 CD PRO A 74 -4.959 3.686 8.389 1.00 0.00 C ATOM 0 HA PRO A 74 -3.669 4.616 5.513 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -3.055 6.316 7.610 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.691 6.228 6.987 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.527 4.934 9.439 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.097 5.683 9.228 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.739 2.943 9.155 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.044 3.742 8.301 1.00 0.00 H new ATOM 1095 N THR A 75 -1.682 3.012 7.284 1.00 0.00 N ATOM 1096 CA THR A 75 -0.279 2.626 7.468 1.00 0.00 C ATOM 1097 C THR A 75 0.061 1.401 6.629 1.00 0.00 C ATOM 1098 O THR A 75 -0.805 0.585 6.326 1.00 0.00 O ATOM 1099 CB THR A 75 -0.021 2.323 8.945 1.00 0.00 C ATOM 1100 OG1 THR A 75 -1.045 1.471 9.441 1.00 0.00 O ATOM 1101 CG2 THR A 75 -0.009 3.629 9.745 1.00 0.00 C ATOM 0 H THR A 75 -2.357 2.334 7.637 1.00 0.00 H new ATOM 0 HA THR A 75 0.353 3.453 7.144 1.00 0.00 H new ATOM 0 HB THR A 75 0.945 1.828 9.048 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.878 1.276 10.387 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.175 3.410 10.797 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.779 4.280 9.367 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.973 4.128 9.642 1.00 0.00 H new ATOM 1109 N ILE A 76 1.329 1.280 6.262 1.00 0.00 N ATOM 1110 CA ILE A 76 1.780 0.150 5.459 1.00 0.00 C ATOM 1111 C ILE A 76 1.584 -1.152 6.217 1.00 0.00 C ATOM 1112 O ILE A 76 1.136 -2.142 5.648 1.00 0.00 O ATOM 1113 CB ILE A 76 3.259 0.318 5.097 1.00 0.00 C ATOM 1114 CG1 ILE A 76 3.476 1.700 4.464 1.00 0.00 C ATOM 1115 CG2 ILE A 76 3.673 -0.769 4.107 1.00 0.00 C ATOM 1116 CD1 ILE A 76 2.507 1.907 3.299 1.00 0.00 C ATOM 0 H ILE A 76 2.062 1.947 6.506 1.00 0.00 H new ATOM 0 HA ILE A 76 1.188 0.119 4.545 1.00 0.00 H new ATOM 0 HB ILE A 76 3.865 0.232 5.999 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.327 2.478 5.213 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.504 1.789 4.112 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.726 -0.647 3.851 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.521 -1.749 4.558 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.069 -0.688 3.204 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.672 2.891 2.859 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.676 1.139 2.544 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.482 1.839 3.662 1.00 0.00 H new ATOM 1128 N ASP A 77 1.922 -1.144 7.496 1.00 0.00 N ATOM 1129 CA ASP A 77 1.781 -2.344 8.314 1.00 0.00 C ATOM 1130 C ASP A 77 0.366 -2.904 8.198 1.00 0.00 C ATOM 1131 O ASP A 77 0.178 -4.099 7.943 1.00 0.00 O ATOM 1132 CB ASP A 77 2.077 -1.997 9.780 1.00 0.00 C ATOM 1133 CG ASP A 77 3.581 -1.939 10.021 1.00 0.00 C ATOM 1134 OD1 ASP A 77 4.319 -2.257 9.106 1.00 0.00 O ATOM 1135 OD2 ASP A 77 3.970 -1.589 11.121 1.00 0.00 O ATOM 0 H ASP A 77 2.292 -0.331 7.989 1.00 0.00 H new ATOM 0 HA ASP A 77 2.486 -3.097 7.962 1.00 0.00 H new ATOM 0 HB2 ASP A 77 1.625 -1.037 10.031 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.626 -2.743 10.435 1.00 0.00 H new ATOM 1140 N ALA A 78 -0.627 -2.037 8.368 1.00 0.00 N ATOM 1141 CA ALA A 78 -2.018 -2.462 8.265 1.00 0.00 C ATOM 1142 C ALA A 78 -2.364 -2.790 6.818 1.00 0.00 C ATOM 1143 O ALA A 78 -3.011 -3.801 6.535 1.00 0.00 O ATOM 1144 CB ALA A 78 -2.941 -1.357 8.785 1.00 0.00 C ATOM 0 H ALA A 78 -0.497 -1.047 8.575 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.157 -3.358 8.870 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.978 -1.682 8.705 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.706 -1.148 9.829 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.797 -0.454 8.192 1.00 0.00 H new ATOM 1150 N LEU A 79 -1.948 -1.922 5.906 1.00 0.00 N ATOM 1151 CA LEU A 79 -2.246 -2.128 4.503 1.00 0.00 C ATOM 1152 C LEU A 79 -1.669 -3.461 4.030 1.00 0.00 C ATOM 1153 O LEU A 79 -2.341 -4.237 3.353 1.00 0.00 O ATOM 1154 CB LEU A 79 -1.633 -0.979 3.668 1.00 0.00 C ATOM 1155 CG LEU A 79 -2.466 -0.754 2.399 1.00 0.00 C ATOM 1156 CD1 LEU A 79 -2.657 -2.078 1.649 1.00 0.00 C ATOM 1157 CD2 LEU A 79 -3.850 -0.174 2.789 1.00 0.00 C ATOM 0 H LEU A 79 -1.410 -1.080 6.112 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.328 -2.142 4.372 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.602 -0.064 4.260 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.604 -1.221 3.400 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.943 -0.053 1.749 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.250 -1.905 0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.684 -2.482 1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.174 -2.790 2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.444 -0.013 1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.367 -0.875 3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.714 0.775 3.308 1.00 0.00 H new ATOM 1169 N SER A 80 -0.422 -3.716 4.389 1.00 0.00 N ATOM 1170 CA SER A 80 0.235 -4.955 3.994 1.00 0.00 C ATOM 1171 C SER A 80 -0.512 -6.153 4.564 1.00 0.00 C ATOM 1172 O SER A 80 -0.758 -7.132 3.862 1.00 0.00 O ATOM 1173 CB SER A 80 1.677 -4.965 4.497 1.00 0.00 C ATOM 1174 OG SER A 80 2.311 -6.164 4.077 1.00 0.00 O ATOM 0 H SER A 80 0.154 -3.088 4.949 1.00 0.00 H new ATOM 0 HA SER A 80 0.232 -5.019 2.906 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.216 -4.100 4.110 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.696 -4.892 5.584 1.00 0.00 H new ATOM 0 HG SER A 80 3.178 -6.250 4.525 1.00 0.00 H new ATOM 1180 N THR A 81 -0.879 -6.064 5.843 1.00 0.00 N ATOM 1181 CA THR A 81 -1.605 -7.151 6.495 1.00 0.00 C ATOM 1182 C THR A 81 -2.912 -7.436 5.753 1.00 0.00 C ATOM 1183 O THR A 81 -3.292 -8.594 5.537 1.00 0.00 O ATOM 1184 CB THR A 81 -1.908 -6.777 7.946 1.00 0.00 C ATOM 1185 OG1 THR A 81 -0.689 -6.618 8.656 1.00 0.00 O ATOM 1186 CG2 THR A 81 -2.747 -7.878 8.594 1.00 0.00 C ATOM 0 H THR A 81 -0.688 -5.260 6.441 1.00 0.00 H new ATOM 0 HA THR A 81 -0.985 -8.047 6.475 1.00 0.00 H new ATOM 0 HB THR A 81 -2.466 -5.841 7.973 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.339 -5.715 8.507 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.962 -7.610 9.628 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.683 -7.992 8.046 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.195 -8.818 8.570 1.00 0.00 H new ATOM 1194 N ALA A 82 -3.609 -6.381 5.369 1.00 0.00 N ATOM 1195 CA ALA A 82 -4.865 -6.542 4.649 1.00 0.00 C ATOM 1196 C ALA A 82 -4.611 -7.071 3.237 1.00 0.00 C ATOM 1197 O ALA A 82 -5.346 -7.940 2.735 1.00 0.00 O ATOM 1198 CB ALA A 82 -5.586 -5.194 4.559 1.00 0.00 C ATOM 0 H ALA A 82 -3.333 -5.414 5.540 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.484 -7.258 5.190 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.525 -5.319 4.020 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.791 -4.823 5.563 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.956 -4.479 4.030 1.00 0.00 H new ATOM 1204 N LEU A 83 -3.571 -6.539 2.584 1.00 0.00 N ATOM 1205 CA LEU A 83 -3.261 -6.954 1.228 1.00 0.00 C ATOM 1206 C LEU A 83 -2.897 -8.438 1.178 1.00 0.00 C ATOM 1207 O LEU A 83 -3.446 -9.200 0.385 1.00 0.00 O ATOM 1208 CB LEU A 83 -2.089 -6.108 0.690 1.00 0.00 C ATOM 1209 CG LEU A 83 -2.240 -5.920 -0.822 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -1.011 -5.207 -1.368 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -2.384 -7.285 -1.500 1.00 0.00 C ATOM 0 H LEU A 83 -2.945 -5.833 2.972 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.143 -6.801 0.606 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.070 -5.138 1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.141 -6.599 0.912 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.129 -5.322 -1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.117 -5.072 -2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.912 -4.233 -0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.123 -5.804 -1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.491 -7.147 -2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.498 -7.887 -1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.265 -7.794 -1.110 1.00 0.00 H new ATOM 1223 N VAL A 84 -1.962 -8.837 2.030 1.00 0.00 N ATOM 1224 CA VAL A 84 -1.534 -10.228 2.071 1.00 0.00 C ATOM 1225 C VAL A 84 -2.725 -11.119 2.402 1.00 0.00 C ATOM 1226 O VAL A 84 -2.814 -12.253 1.926 1.00 0.00 O ATOM 1227 CB VAL A 84 -0.436 -10.412 3.123 1.00 0.00 C ATOM 1228 CG1 VAL A 84 -1.009 -10.167 4.513 1.00 0.00 C ATOM 1229 CG2 VAL A 84 0.126 -11.836 3.040 1.00 0.00 C ATOM 0 H VAL A 84 -1.490 -8.224 2.695 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.135 -10.507 1.096 1.00 0.00 H new ATOM 0 HB VAL A 84 0.365 -9.698 2.934 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.225 -10.299 5.258 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.398 -9.151 4.572 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.815 -10.876 4.705 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.907 -11.963 3.790 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.673 -12.554 3.223 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.545 -12.005 2.048 1.00 0.00 H new ATOM 1239 N ALA A 85 -3.643 -10.597 3.214 1.00 0.00 N ATOM 1240 CA ALA A 85 -4.829 -11.360 3.589 1.00 0.00 C ATOM 1241 C ALA A 85 -5.613 -11.741 2.340 1.00 0.00 C ATOM 1242 O ALA A 85 -6.230 -12.807 2.276 1.00 0.00 O ATOM 1243 CB ALA A 85 -5.706 -10.531 4.524 1.00 0.00 C ATOM 0 H ALA A 85 -3.589 -9.662 3.619 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.521 -12.269 4.106 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.589 -11.107 4.800 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.143 -10.278 5.422 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.013 -9.615 4.018 1.00 0.00 H new