USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 499 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 66 TYR OH : rot -15:sc= -1.15 USER MOD Set 1.2: A 70 SER OG : rot 111:sc= 0.653 USER MOD Set 2.1: A 38 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -2.98! C(o=-3!,f=-5.2!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -139:sc= -1.89 (180deg=-4.56!) USER MOD Single : A 40 LYS NZ :NH3+ -108:sc= -0.46 (180deg=-3.25!) USER MOD Single : A 46 HIS : no HD1:sc= -3.95! C(o=-3.9!,f=-4.3!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -3.02! C(o=-3!,f=-2.5!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.0404 X(o=-0.04,f=-0.37) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 77:sc= 0.0542 USER MOD ----------------------------------------------------------------- ATOM 191 N ASP A 16 0.015 3.404 3.697 1.00 0.00 N ATOM 192 CA ASP A 16 1.442 3.110 3.758 1.00 0.00 C ATOM 193 C ASP A 16 1.897 2.367 2.506 1.00 0.00 C ATOM 194 O ASP A 16 2.821 2.799 1.817 1.00 0.00 O ATOM 195 CB ASP A 16 1.760 2.281 5.003 1.00 0.00 C ATOM 196 CG ASP A 16 3.227 2.346 5.382 1.00 0.00 C ATOM 197 OD1 ASP A 16 3.652 3.382 5.935 1.00 0.00 O ATOM 198 OD2 ASP A 16 3.949 1.361 5.126 1.00 0.00 O ATOM 0 HA ASP A 16 1.982 4.055 3.813 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.156 2.637 5.837 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.479 1.243 4.826 1.00 0.00 H new ATOM 203 N PHE A 17 1.244 1.246 2.219 1.00 0.00 N ATOM 204 CA PHE A 17 1.583 0.441 1.052 1.00 0.00 C ATOM 205 C PHE A 17 0.400 -0.424 0.625 1.00 0.00 C ATOM 206 O PHE A 17 -0.355 -0.918 1.462 1.00 0.00 O ATOM 207 CB PHE A 17 2.795 -0.445 1.351 1.00 0.00 C ATOM 208 CG PHE A 17 2.495 -1.569 2.300 1.00 0.00 C ATOM 209 CD1 PHE A 17 1.675 -2.618 1.916 1.00 0.00 C ATOM 210 CD2 PHE A 17 3.035 -1.579 3.576 1.00 0.00 C ATOM 211 CE1 PHE A 17 1.398 -3.654 2.788 1.00 0.00 C ATOM 212 CE2 PHE A 17 2.761 -2.612 4.452 1.00 0.00 C ATOM 213 CZ PHE A 17 1.942 -3.652 4.057 1.00 0.00 C ATOM 0 H PHE A 17 0.477 0.874 2.779 1.00 0.00 H new ATOM 0 HA PHE A 17 1.829 1.118 0.234 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.171 -0.860 0.416 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.591 0.171 1.770 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.248 -2.626 0.924 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.678 -0.770 3.890 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.756 -4.465 2.477 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.187 -2.606 5.445 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.728 -4.461 4.739 1.00 0.00 H new ATOM 223 N ASP A 18 0.247 -0.601 -0.682 1.00 0.00 N ATOM 224 CA ASP A 18 -0.843 -1.406 -1.222 1.00 0.00 C ATOM 225 C ASP A 18 -0.386 -2.839 -1.476 1.00 0.00 C ATOM 226 O ASP A 18 0.748 -3.092 -1.882 1.00 0.00 O ATOM 227 CB ASP A 18 -1.369 -0.788 -2.519 1.00 0.00 C ATOM 228 CG ASP A 18 -2.111 0.513 -2.281 1.00 0.00 C ATOM 229 OD1 ASP A 18 -1.443 1.547 -2.077 1.00 0.00 O ATOM 230 OD2 ASP A 18 -3.360 0.495 -2.298 1.00 0.00 O ATOM 0 H ASP A 18 0.864 -0.198 -1.388 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.647 -1.425 -0.486 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.535 -0.608 -3.197 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.034 -1.497 -3.013 1.00 0.00 H new ATOM 235 N PRO A 19 -1.289 -3.801 -1.229 1.00 0.00 N ATOM 236 CA PRO A 19 -1.001 -5.225 -1.424 1.00 0.00 C ATOM 237 C PRO A 19 -0.865 -5.593 -2.897 1.00 0.00 C ATOM 238 O PRO A 19 0.089 -6.262 -3.295 1.00 0.00 O ATOM 239 CB PRO A 19 -2.218 -5.920 -0.809 1.00 0.00 C ATOM 240 CG PRO A 19 -3.315 -4.916 -0.901 1.00 0.00 C ATOM 241 CD PRO A 19 -2.660 -3.571 -0.743 1.00 0.00 C ATOM 0 HA PRO A 19 -0.053 -5.515 -0.971 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.469 -6.832 -1.351 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.029 -6.206 0.226 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.831 -4.989 -1.858 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.061 -5.081 -0.123 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.170 -2.804 -1.326 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.668 -3.239 0.295 1.00 0.00 H new ATOM 249 N TYR A 20 -1.825 -5.152 -3.703 1.00 0.00 N ATOM 250 CA TYR A 20 -1.813 -5.437 -5.133 1.00 0.00 C ATOM 251 C TYR A 20 -0.585 -4.827 -5.800 1.00 0.00 C ATOM 252 O TYR A 20 0.046 -5.451 -6.654 1.00 0.00 O ATOM 253 CB TYR A 20 -3.085 -4.900 -5.792 1.00 0.00 C ATOM 254 CG TYR A 20 -4.258 -5.850 -5.708 1.00 0.00 C ATOM 255 CD1 TYR A 20 -4.932 -6.049 -4.509 1.00 0.00 C ATOM 256 CD2 TYR A 20 -4.693 -6.550 -6.827 1.00 0.00 C ATOM 257 CE1 TYR A 20 -6.004 -6.917 -4.427 1.00 0.00 C ATOM 258 CE2 TYR A 20 -5.765 -7.418 -6.755 1.00 0.00 C ATOM 259 CZ TYR A 20 -6.417 -7.598 -5.553 1.00 0.00 C ATOM 260 OH TYR A 20 -7.484 -8.463 -5.476 1.00 0.00 O ATOM 0 H TYR A 20 -2.621 -4.596 -3.390 1.00 0.00 H new ATOM 0 HA TYR A 20 -1.774 -6.519 -5.262 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.358 -3.956 -5.320 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.878 -4.684 -6.840 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.612 -5.516 -3.626 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.184 -6.413 -7.770 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -6.515 -7.061 -3.487 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -6.091 -7.953 -7.635 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.647 -8.861 -6.357 1.00 0.00 H new ATOM 270 N ARG A 21 -0.251 -3.604 -5.404 1.00 0.00 N ATOM 271 CA ARG A 21 0.902 -2.907 -5.963 1.00 0.00 C ATOM 272 C ARG A 21 2.197 -3.641 -5.626 1.00 0.00 C ATOM 273 O ARG A 21 3.095 -3.753 -6.460 1.00 0.00 O ATOM 274 CB ARG A 21 0.964 -1.473 -5.435 1.00 0.00 C ATOM 275 CG ARG A 21 -0.128 -0.572 -5.989 1.00 0.00 C ATOM 276 CD ARG A 21 0.233 -0.045 -7.369 1.00 0.00 C ATOM 277 NE ARG A 21 -0.177 -0.962 -8.430 1.00 0.00 N ATOM 278 CZ ARG A 21 -0.048 -0.693 -9.724 1.00 0.00 C ATOM 279 NH1 ARG A 21 0.476 0.460 -10.116 1.00 0.00 N ATOM 280 NH2 ARG A 21 -0.444 -1.578 -10.630 1.00 0.00 N ATOM 0 H ARG A 21 -0.762 -3.074 -4.698 1.00 0.00 H new ATOM 0 HA ARG A 21 0.789 -2.883 -7.047 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.891 -1.492 -4.348 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.936 -1.046 -5.682 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.065 -1.125 -6.043 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.291 0.265 -5.310 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.243 0.923 -7.523 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.310 0.116 -7.425 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.585 -1.858 -8.162 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.781 1.143 -9.423 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.574 0.664 -11.111 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.848 -2.466 -10.333 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.344 -1.370 -11.624 1.00 0.00 H new ATOM 294 N VAL A 22 2.285 -4.139 -4.396 1.00 0.00 N ATOM 295 CA VAL A 22 3.469 -4.863 -3.948 1.00 0.00 C ATOM 296 C VAL A 22 3.647 -6.161 -4.727 1.00 0.00 C ATOM 297 O VAL A 22 4.712 -6.420 -5.289 1.00 0.00 O ATOM 298 CB VAL A 22 3.394 -5.186 -2.444 1.00 0.00 C ATOM 299 CG1 VAL A 22 4.611 -5.987 -2.008 1.00 0.00 C ATOM 300 CG2 VAL A 22 3.269 -3.906 -1.631 1.00 0.00 C ATOM 0 H VAL A 22 1.551 -4.054 -3.693 1.00 0.00 H new ATOM 0 HA VAL A 22 4.325 -4.213 -4.130 1.00 0.00 H new ATOM 0 HB VAL A 22 2.507 -5.793 -2.264 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.540 -6.206 -0.943 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.652 -6.921 -2.568 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.515 -5.409 -2.200 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.217 -4.152 -0.570 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.137 -3.272 -1.814 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.363 -3.375 -1.925 1.00 0.00 H new ATOM 310 N LEU A 23 2.598 -6.975 -4.757 1.00 0.00 N ATOM 311 CA LEU A 23 2.637 -8.249 -5.468 1.00 0.00 C ATOM 312 C LEU A 23 2.680 -8.029 -6.977 1.00 0.00 C ATOM 313 O LEU A 23 2.999 -8.941 -7.738 1.00 0.00 O ATOM 314 CB LEU A 23 1.420 -9.099 -5.099 1.00 0.00 C ATOM 315 CG LEU A 23 1.381 -9.630 -3.666 1.00 0.00 C ATOM 316 CD1 LEU A 23 0.029 -10.258 -3.366 1.00 0.00 C ATOM 317 CD2 LEU A 23 2.500 -10.636 -3.440 1.00 0.00 C ATOM 0 H LEU A 23 1.709 -6.776 -4.297 1.00 0.00 H new ATOM 0 HA LEU A 23 3.544 -8.776 -5.170 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.522 -8.505 -5.269 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.375 -9.948 -5.781 1.00 0.00 H new ATOM 0 HG LEU A 23 1.529 -8.792 -2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.020 -10.630 -2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.755 -9.510 -3.487 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.149 -11.084 -4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.457 -11.004 -2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.383 -11.471 -4.130 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.463 -10.155 -3.613 1.00 0.00 H new ATOM 329 N GLY A 24 2.358 -6.810 -7.401 1.00 0.00 N ATOM 330 CA GLY A 24 2.369 -6.492 -8.817 1.00 0.00 C ATOM 331 C GLY A 24 1.234 -7.158 -9.570 1.00 0.00 C ATOM 332 O GLY A 24 1.436 -7.709 -10.652 1.00 0.00 O ATOM 0 H GLY A 24 2.090 -6.038 -6.790 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.300 -5.412 -8.944 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.320 -6.804 -9.249 1.00 0.00 H new ATOM 336 N VAL A 25 0.036 -7.111 -8.995 1.00 0.00 N ATOM 337 CA VAL A 25 -1.135 -7.715 -9.618 1.00 0.00 C ATOM 338 C VAL A 25 -2.209 -6.670 -9.899 1.00 0.00 C ATOM 339 O VAL A 25 -2.125 -5.536 -9.426 1.00 0.00 O ATOM 340 CB VAL A 25 -1.733 -8.824 -8.732 1.00 0.00 C ATOM 341 CG1 VAL A 25 -1.083 -10.164 -9.042 1.00 0.00 C ATOM 342 CG2 VAL A 25 -1.574 -8.473 -7.260 1.00 0.00 C ATOM 0 H VAL A 25 -0.148 -6.661 -8.099 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.802 -8.152 -10.559 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.798 -8.905 -8.950 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.518 -10.935 -8.406 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.253 -10.418 -10.088 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.011 -10.101 -8.854 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.002 -9.267 -6.648 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.515 -8.364 -7.024 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.091 -7.536 -7.051 1.00 0.00 H new ATOM 352 N SER A 26 -3.219 -7.059 -10.671 1.00 0.00 N ATOM 353 CA SER A 26 -4.309 -6.155 -11.018 1.00 0.00 C ATOM 354 C SER A 26 -5.635 -6.665 -10.464 1.00 0.00 C ATOM 355 O SER A 26 -5.695 -7.731 -9.851 1.00 0.00 O ATOM 356 CB SER A 26 -4.404 -5.996 -12.536 1.00 0.00 C ATOM 357 OG SER A 26 -3.538 -4.973 -12.997 1.00 0.00 O ATOM 0 H SER A 26 -3.305 -7.995 -11.068 1.00 0.00 H new ATOM 0 HA SER A 26 -4.099 -5.183 -10.571 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.149 -6.939 -13.020 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.431 -5.761 -12.817 1.00 0.00 H new ATOM 0 HG SER A 26 -3.616 -4.892 -13.971 1.00 0.00 H new ATOM 363 N ARG A 27 -6.697 -5.897 -10.686 1.00 0.00 N ATOM 364 CA ARG A 27 -8.023 -6.270 -10.209 1.00 0.00 C ATOM 365 C ARG A 27 -8.493 -7.564 -10.866 1.00 0.00 C ATOM 366 O ARG A 27 -9.384 -8.245 -10.356 1.00 0.00 O ATOM 367 CB ARG A 27 -9.024 -5.148 -10.491 1.00 0.00 C ATOM 368 CG ARG A 27 -8.692 -4.333 -11.730 1.00 0.00 C ATOM 369 CD ARG A 27 -7.820 -3.134 -11.392 1.00 0.00 C ATOM 370 NE ARG A 27 -8.616 -1.951 -11.076 1.00 0.00 N ATOM 371 CZ ARG A 27 -9.428 -1.358 -11.945 1.00 0.00 C ATOM 372 NH1 ARG A 27 -9.551 -1.837 -13.175 1.00 0.00 N ATOM 373 NH2 ARG A 27 -10.119 -0.285 -11.583 1.00 0.00 N ATOM 0 H ARG A 27 -6.665 -5.013 -11.193 1.00 0.00 H new ATOM 0 HA ARG A 27 -7.963 -6.431 -9.133 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.018 -5.580 -10.606 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -9.064 -4.483 -9.629 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.179 -4.964 -12.455 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -9.614 -3.992 -12.200 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.181 -3.378 -10.544 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.163 -2.915 -12.234 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.545 -1.559 -10.137 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.022 -2.662 -13.456 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.175 -1.380 -13.840 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.027 0.085 -10.637 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.742 0.170 -12.251 1.00 0.00 H new ATOM 387 N THR A 28 -7.890 -7.897 -12.003 1.00 0.00 N ATOM 388 CA THR A 28 -8.247 -9.108 -12.732 1.00 0.00 C ATOM 389 C THR A 28 -7.699 -10.349 -12.038 1.00 0.00 C ATOM 390 O THR A 28 -8.133 -11.468 -12.312 1.00 0.00 O ATOM 391 CB THR A 28 -7.723 -9.068 -14.179 1.00 0.00 C ATOM 392 OG1 THR A 28 -6.296 -9.191 -14.187 1.00 0.00 O ATOM 393 CG2 THR A 28 -8.128 -7.772 -14.866 1.00 0.00 C ATOM 0 H THR A 28 -7.152 -7.345 -12.439 1.00 0.00 H new ATOM 0 HA THR A 28 -9.336 -9.157 -12.750 1.00 0.00 H new ATOM 0 HB THR A 28 -8.163 -9.903 -14.724 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.971 -9.166 -15.111 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.746 -7.767 -15.887 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.215 -7.694 -14.884 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.713 -6.925 -14.319 1.00 0.00 H new ATOM 401 N ALA A 29 -6.742 -10.145 -11.139 1.00 0.00 N ATOM 402 CA ALA A 29 -6.136 -11.248 -10.404 1.00 0.00 C ATOM 403 C ALA A 29 -7.012 -11.673 -9.230 1.00 0.00 C ATOM 404 O ALA A 29 -7.397 -10.850 -8.401 1.00 0.00 O ATOM 405 CB ALA A 29 -4.749 -10.858 -9.915 1.00 0.00 C ATOM 0 H ALA A 29 -6.370 -9.225 -10.902 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.045 -12.097 -11.082 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.308 -11.691 -9.368 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.118 -10.611 -10.769 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.825 -9.992 -9.257 1.00 0.00 H new ATOM 411 N SER A 30 -7.324 -12.964 -9.168 1.00 0.00 N ATOM 412 CA SER A 30 -8.159 -13.497 -8.098 1.00 0.00 C ATOM 413 C SER A 30 -7.315 -14.248 -7.072 1.00 0.00 C ATOM 414 O SER A 30 -6.152 -14.564 -7.323 1.00 0.00 O ATOM 415 CB SER A 30 -9.229 -14.427 -8.673 1.00 0.00 C ATOM 416 OG SER A 30 -8.645 -15.583 -9.247 1.00 0.00 O ATOM 0 H SER A 30 -7.011 -13.659 -9.846 1.00 0.00 H new ATOM 0 HA SER A 30 -8.645 -12.659 -7.599 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.923 -14.719 -7.885 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.809 -13.896 -9.428 1.00 0.00 H new ATOM 0 HG SER A 30 -9.350 -16.162 -9.606 1.00 0.00 H new ATOM 422 N GLN A 31 -7.909 -14.529 -5.917 1.00 0.00 N ATOM 423 CA GLN A 31 -7.212 -15.241 -4.853 1.00 0.00 C ATOM 424 C GLN A 31 -6.292 -16.314 -5.428 1.00 0.00 C ATOM 425 O GLN A 31 -5.220 -16.581 -4.887 1.00 0.00 O ATOM 426 CB GLN A 31 -8.217 -15.877 -3.892 1.00 0.00 C ATOM 427 CG GLN A 31 -7.588 -16.397 -2.610 1.00 0.00 C ATOM 428 CD GLN A 31 -7.449 -15.322 -1.550 1.00 0.00 C ATOM 429 OE1 GLN A 31 -8.443 -14.788 -1.056 1.00 0.00 O ATOM 430 NE2 GLN A 31 -6.211 -14.998 -1.194 1.00 0.00 N ATOM 0 H GLN A 31 -8.871 -14.274 -5.694 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.604 -14.520 -4.307 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.981 -15.142 -3.640 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.721 -16.700 -4.399 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.195 -17.213 -2.217 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.605 -16.810 -2.834 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.416 -15.466 -1.629 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.055 -14.281 -0.485 1.00 0.00 H new ATOM 439 N ALA A 32 -6.720 -16.926 -6.528 1.00 0.00 N ATOM 440 CA ALA A 32 -5.935 -17.968 -7.177 1.00 0.00 C ATOM 441 C ALA A 32 -4.664 -17.394 -7.794 1.00 0.00 C ATOM 442 O ALA A 32 -3.556 -17.809 -7.455 1.00 0.00 O ATOM 443 CB ALA A 32 -6.767 -18.673 -8.237 1.00 0.00 C ATOM 0 H ALA A 32 -7.606 -16.718 -6.988 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.643 -18.694 -6.418 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.168 -19.449 -8.713 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.642 -19.126 -7.771 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.088 -17.951 -8.987 1.00 0.00 H new ATOM 449 N ASP A 33 -4.832 -16.439 -8.701 1.00 0.00 N ATOM 450 CA ASP A 33 -3.698 -15.807 -9.366 1.00 0.00 C ATOM 451 C ASP A 33 -2.780 -15.133 -8.351 1.00 0.00 C ATOM 452 O ASP A 33 -1.556 -15.204 -8.464 1.00 0.00 O ATOM 453 CB ASP A 33 -4.186 -14.782 -10.390 1.00 0.00 C ATOM 454 CG ASP A 33 -4.700 -15.432 -11.660 1.00 0.00 C ATOM 455 OD1 ASP A 33 -3.960 -16.245 -12.252 1.00 0.00 O ATOM 456 OD2 ASP A 33 -5.843 -15.127 -12.063 1.00 0.00 O ATOM 0 H ASP A 33 -5.743 -16.085 -8.993 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.132 -16.583 -9.882 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.979 -14.179 -9.947 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.370 -14.103 -10.637 1.00 0.00 H new ATOM 461 N ILE A 34 -3.380 -14.479 -7.362 1.00 0.00 N ATOM 462 CA ILE A 34 -2.616 -13.792 -6.328 1.00 0.00 C ATOM 463 C ILE A 34 -1.649 -14.746 -5.634 1.00 0.00 C ATOM 464 O ILE A 34 -0.468 -14.441 -5.471 1.00 0.00 O ATOM 465 CB ILE A 34 -3.540 -13.158 -5.272 1.00 0.00 C ATOM 466 CG1 ILE A 34 -4.527 -12.197 -5.938 1.00 0.00 C ATOM 467 CG2 ILE A 34 -2.720 -12.435 -4.215 1.00 0.00 C ATOM 468 CD1 ILE A 34 -5.798 -11.990 -5.145 1.00 0.00 C ATOM 0 H ILE A 34 -4.392 -14.410 -7.255 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.051 -13.003 -6.825 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.107 -13.951 -4.784 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.040 -11.233 -6.086 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.783 -12.579 -6.926 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.388 -11.992 -3.476 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.054 -13.144 -3.723 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.130 -11.650 -4.687 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.450 -11.297 -5.677 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.308 -12.945 -5.019 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.553 -11.578 -4.166 1.00 0.00 H new ATOM 480 N LYS A 35 -2.159 -15.904 -5.227 1.00 0.00 N ATOM 481 CA LYS A 35 -1.341 -16.905 -4.553 1.00 0.00 C ATOM 482 C LYS A 35 -0.153 -17.311 -5.419 1.00 0.00 C ATOM 483 O LYS A 35 0.972 -17.426 -4.933 1.00 0.00 O ATOM 484 CB LYS A 35 -2.184 -18.138 -4.215 1.00 0.00 C ATOM 485 CG LYS A 35 -1.418 -19.208 -3.457 1.00 0.00 C ATOM 486 CD LYS A 35 -2.166 -20.531 -3.453 1.00 0.00 C ATOM 487 CE LYS A 35 -1.766 -21.394 -2.266 1.00 0.00 C ATOM 488 NZ LYS A 35 -2.711 -22.527 -2.061 1.00 0.00 N ATOM 0 H LYS A 35 -3.135 -16.172 -5.352 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.962 -16.466 -3.630 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.044 -17.828 -3.621 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.573 -18.567 -5.139 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.437 -19.345 -3.911 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.251 -18.880 -2.431 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.239 -20.343 -3.422 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.963 -21.068 -4.380 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.760 -21.784 -2.423 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.733 -20.781 -1.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.404 -23.091 -1.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.666 -22.155 -1.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.723 -23.127 -2.910 1.00 0.00 H new ATOM 502 N LYS A 36 -0.410 -17.524 -6.705 1.00 0.00 N ATOM 503 CA LYS A 36 0.639 -17.913 -7.641 1.00 0.00 C ATOM 504 C LYS A 36 1.643 -16.782 -7.834 1.00 0.00 C ATOM 505 O LYS A 36 2.829 -17.024 -8.061 1.00 0.00 O ATOM 506 CB LYS A 36 0.028 -18.304 -8.989 1.00 0.00 C ATOM 507 CG LYS A 36 1.002 -18.200 -10.150 1.00 0.00 C ATOM 508 CD LYS A 36 0.334 -18.547 -11.470 1.00 0.00 C ATOM 509 CE LYS A 36 1.245 -18.247 -12.651 1.00 0.00 C ATOM 510 NZ LYS A 36 1.128 -16.831 -13.096 1.00 0.00 N ATOM 0 H LYS A 36 -1.336 -17.434 -7.123 1.00 0.00 H new ATOM 0 HA LYS A 36 1.164 -18.773 -7.224 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.343 -19.327 -8.927 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.832 -17.664 -9.188 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.404 -17.188 -10.199 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.845 -18.870 -9.980 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.064 -19.603 -11.476 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.592 -17.981 -11.570 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.278 -18.457 -12.375 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.996 -18.910 -13.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.764 -16.667 -13.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.148 -16.637 -13.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.390 -16.198 -12.313 1.00 0.00 H new ATOM 524 N ALA A 37 1.162 -15.547 -7.742 1.00 0.00 N ATOM 525 CA ALA A 37 2.018 -14.379 -7.904 1.00 0.00 C ATOM 526 C ALA A 37 2.990 -14.245 -6.736 1.00 0.00 C ATOM 527 O ALA A 37 4.173 -13.965 -6.929 1.00 0.00 O ATOM 528 CB ALA A 37 1.174 -13.120 -8.037 1.00 0.00 C ATOM 0 H ALA A 37 0.183 -15.329 -7.556 1.00 0.00 H new ATOM 0 HA ALA A 37 2.601 -14.510 -8.816 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.827 -12.255 -8.157 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.524 -13.208 -8.908 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.566 -12.993 -7.141 1.00 0.00 H new ATOM 534 N TYR A 38 2.483 -14.446 -5.525 1.00 0.00 N ATOM 535 CA TYR A 38 3.306 -14.345 -4.325 1.00 0.00 C ATOM 536 C TYR A 38 4.482 -15.315 -4.388 1.00 0.00 C ATOM 537 O TYR A 38 5.643 -14.903 -4.388 1.00 0.00 O ATOM 538 CB TYR A 38 2.465 -14.627 -3.079 1.00 0.00 C ATOM 539 CG TYR A 38 3.278 -15.091 -1.892 1.00 0.00 C ATOM 540 CD1 TYR A 38 3.904 -14.177 -1.053 1.00 0.00 C ATOM 541 CD2 TYR A 38 3.419 -16.444 -1.608 1.00 0.00 C ATOM 542 CE1 TYR A 38 4.648 -14.597 0.032 1.00 0.00 C ATOM 543 CE2 TYR A 38 4.160 -16.872 -0.524 1.00 0.00 C ATOM 544 CZ TYR A 38 4.773 -15.945 0.293 1.00 0.00 C ATOM 545 OH TYR A 38 5.513 -16.367 1.374 1.00 0.00 O ATOM 0 H TYR A 38 1.506 -14.680 -5.348 1.00 0.00 H new ATOM 0 HA TYR A 38 3.698 -13.329 -4.269 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.922 -13.723 -2.805 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.720 -15.386 -3.318 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.807 -13.120 -1.253 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.941 -17.173 -2.246 1.00 0.00 H new ATOM 0 HE1 TYR A 38 5.129 -13.873 0.673 1.00 0.00 H new ATOM 0 HE2 TYR A 38 4.259 -17.927 -0.317 1.00 0.00 H new ATOM 0 HH TYR A 38 5.500 -17.346 1.417 1.00 0.00 H new ATOM 555 N LYS A 39 4.174 -16.606 -4.443 1.00 0.00 N ATOM 556 CA LYS A 39 5.203 -17.637 -4.508 1.00 0.00 C ATOM 557 C LYS A 39 6.367 -17.188 -5.386 1.00 0.00 C ATOM 558 O LYS A 39 7.477 -16.970 -4.899 1.00 0.00 O ATOM 559 CB LYS A 39 4.614 -18.941 -5.051 1.00 0.00 C ATOM 560 CG LYS A 39 4.080 -19.864 -3.969 1.00 0.00 C ATOM 561 CD LYS A 39 2.644 -19.526 -3.607 1.00 0.00 C ATOM 562 CE LYS A 39 2.318 -19.934 -2.178 1.00 0.00 C ATOM 563 NZ LYS A 39 1.027 -19.355 -1.716 1.00 0.00 N ATOM 0 H LYS A 39 3.219 -16.964 -4.444 1.00 0.00 H new ATOM 0 HA LYS A 39 5.576 -17.807 -3.498 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.808 -18.704 -5.745 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.381 -19.467 -5.620 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.136 -20.898 -4.311 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.708 -19.787 -3.081 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.480 -18.455 -3.727 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.966 -20.031 -4.294 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.272 -21.021 -2.112 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.120 -19.608 -1.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.124 -19.031 -0.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.771 -18.550 -2.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.283 -20.079 -1.770 1.00 0.00 H new ATOM 577 N LYS A 40 6.107 -17.051 -6.681 1.00 0.00 N ATOM 578 CA LYS A 40 7.132 -16.626 -7.627 1.00 0.00 C ATOM 579 C LYS A 40 7.977 -15.499 -7.043 1.00 0.00 C ATOM 580 O LYS A 40 9.198 -15.618 -6.932 1.00 0.00 O ATOM 581 CB LYS A 40 6.487 -16.168 -8.937 1.00 0.00 C ATOM 582 CG LYS A 40 6.120 -17.311 -9.867 1.00 0.00 C ATOM 583 CD LYS A 40 5.203 -16.847 -10.987 1.00 0.00 C ATOM 584 CE LYS A 40 5.406 -17.670 -12.250 1.00 0.00 C ATOM 585 NZ LYS A 40 4.708 -18.983 -12.175 1.00 0.00 N ATOM 0 H LYS A 40 5.194 -17.228 -7.100 1.00 0.00 H new ATOM 0 HA LYS A 40 7.782 -17.478 -7.827 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.589 -15.594 -8.709 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.172 -15.496 -9.454 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.027 -17.740 -10.293 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.630 -18.101 -9.298 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.165 -16.924 -10.664 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.393 -15.795 -11.202 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.037 -17.112 -13.110 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.472 -17.834 -12.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.409 -19.743 -12.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.060 -18.986 -11.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.167 -19.139 -13.049 1.00 0.00 H new ATOM 599 N LEU A 41 7.321 -14.405 -6.670 1.00 0.00 N ATOM 600 CA LEU A 41 8.013 -13.257 -6.095 1.00 0.00 C ATOM 601 C LEU A 41 8.857 -13.674 -4.895 1.00 0.00 C ATOM 602 O LEU A 41 9.955 -13.158 -4.687 1.00 0.00 O ATOM 603 CB LEU A 41 7.004 -12.187 -5.675 1.00 0.00 C ATOM 604 CG LEU A 41 6.594 -11.189 -6.759 1.00 0.00 C ATOM 605 CD1 LEU A 41 5.246 -10.567 -6.429 1.00 0.00 C ATOM 606 CD2 LEU A 41 7.655 -10.111 -6.921 1.00 0.00 C ATOM 0 H LEU A 41 6.311 -14.289 -6.756 1.00 0.00 H new ATOM 0 HA LEU A 41 8.676 -12.845 -6.856 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.106 -12.686 -5.310 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.423 -11.631 -4.836 1.00 0.00 H new ATOM 0 HG LEU A 41 6.503 -11.725 -7.704 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.970 -9.860 -7.211 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.490 -11.350 -6.365 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.310 -10.045 -5.474 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.346 -9.410 -7.696 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.779 -9.578 -5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.601 -10.572 -7.204 1.00 0.00 H new ATOM 618 N ALA A 42 8.339 -14.613 -4.111 1.00 0.00 N ATOM 619 CA ALA A 42 9.047 -15.104 -2.935 1.00 0.00 C ATOM 620 C ALA A 42 10.250 -15.952 -3.332 1.00 0.00 C ATOM 621 O ALA A 42 11.286 -15.925 -2.669 1.00 0.00 O ATOM 622 CB ALA A 42 8.105 -15.903 -2.047 1.00 0.00 C ATOM 0 H ALA A 42 7.431 -15.050 -4.269 1.00 0.00 H new ATOM 0 HA ALA A 42 9.412 -14.243 -2.376 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.647 -16.263 -1.173 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.280 -15.267 -1.726 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.711 -16.752 -2.605 1.00 0.00 H new ATOM 628 N ARG A 43 10.105 -16.705 -4.418 1.00 0.00 N ATOM 629 CA ARG A 43 11.179 -17.563 -4.902 1.00 0.00 C ATOM 630 C ARG A 43 12.286 -16.735 -5.549 1.00 0.00 C ATOM 631 O ARG A 43 13.471 -16.994 -5.340 1.00 0.00 O ATOM 632 CB ARG A 43 10.635 -18.580 -5.907 1.00 0.00 C ATOM 633 CG ARG A 43 9.596 -19.520 -5.319 1.00 0.00 C ATOM 634 CD ARG A 43 9.048 -20.472 -6.371 1.00 0.00 C ATOM 635 NE ARG A 43 9.995 -21.535 -6.694 1.00 0.00 N ATOM 636 CZ ARG A 43 9.825 -22.392 -7.695 1.00 0.00 C ATOM 637 NH1 ARG A 43 8.750 -22.310 -8.467 1.00 0.00 N ATOM 638 NH2 ARG A 43 10.732 -23.332 -7.926 1.00 0.00 N ATOM 0 H ARG A 43 9.254 -16.738 -4.979 1.00 0.00 H new ATOM 0 HA ARG A 43 11.598 -18.095 -4.048 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.195 -18.046 -6.749 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.464 -19.168 -6.301 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.041 -20.092 -4.505 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.779 -18.939 -4.891 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.118 -20.912 -6.012 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.808 -19.913 -7.276 1.00 0.00 H new ATOM 0 HE ARG A 43 10.833 -21.625 -6.120 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.051 -21.588 -8.293 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.622 -22.969 -9.235 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.561 -23.397 -7.335 1.00 0.00 H new ATOM 0 HH22 ARG A 43 10.601 -23.990 -8.695 1.00 0.00 H new ATOM 652 N GLU A 44 11.891 -15.739 -6.336 1.00 0.00 N ATOM 653 CA GLU A 44 12.850 -14.875 -7.013 1.00 0.00 C ATOM 654 C GLU A 44 13.500 -13.906 -6.030 1.00 0.00 C ATOM 655 O GLU A 44 14.724 -13.828 -5.937 1.00 0.00 O ATOM 656 CB GLU A 44 12.163 -14.095 -8.136 1.00 0.00 C ATOM 657 CG GLU A 44 12.119 -14.842 -9.458 1.00 0.00 C ATOM 658 CD GLU A 44 12.120 -13.911 -10.655 1.00 0.00 C ATOM 659 OE1 GLU A 44 11.034 -13.415 -11.020 1.00 0.00 O ATOM 660 OE2 GLU A 44 13.206 -13.680 -11.227 1.00 0.00 O ATOM 0 H GLU A 44 10.914 -15.511 -6.520 1.00 0.00 H new ATOM 0 HA GLU A 44 13.628 -15.506 -7.442 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.145 -13.855 -7.830 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.684 -13.148 -8.281 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.977 -15.511 -9.522 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.226 -15.466 -9.489 1.00 0.00 H new ATOM 667 N TRP A 45 12.670 -13.170 -5.299 1.00 0.00 N ATOM 668 CA TRP A 45 13.163 -12.205 -4.322 1.00 0.00 C ATOM 669 C TRP A 45 13.535 -12.896 -3.015 1.00 0.00 C ATOM 670 O TRP A 45 13.697 -12.245 -1.982 1.00 0.00 O ATOM 671 CB TRP A 45 12.109 -11.128 -4.062 1.00 0.00 C ATOM 672 CG TRP A 45 11.774 -10.318 -5.279 1.00 0.00 C ATOM 673 CD1 TRP A 45 10.844 -10.618 -6.232 1.00 0.00 C ATOM 674 CD2 TRP A 45 12.369 -9.077 -5.673 1.00 0.00 C ATOM 675 NE1 TRP A 45 10.824 -9.638 -7.195 1.00 0.00 N ATOM 676 CE2 TRP A 45 11.750 -8.681 -6.874 1.00 0.00 C ATOM 677 CE3 TRP A 45 13.363 -8.261 -5.126 1.00 0.00 C ATOM 678 CZ2 TRP A 45 12.095 -7.506 -7.537 1.00 0.00 C ATOM 679 CZ3 TRP A 45 13.704 -7.095 -5.785 1.00 0.00 C ATOM 680 CH2 TRP A 45 13.071 -6.726 -6.979 1.00 0.00 C ATOM 0 H TRP A 45 11.653 -13.223 -5.364 1.00 0.00 H new ATOM 0 HA TRP A 45 14.058 -11.736 -4.731 1.00 0.00 H new ATOM 0 HB2 TRP A 45 11.201 -11.601 -3.688 1.00 0.00 H new ATOM 0 HB3 TRP A 45 12.467 -10.461 -3.278 1.00 0.00 H new ATOM 0 HD1 TRP A 45 10.216 -11.497 -6.230 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.218 -9.625 -8.015 1.00 0.00 H new ATOM 0 HE3 TRP A 45 13.856 -8.536 -4.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 11.610 -7.221 -8.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 14.472 -6.457 -5.372 1.00 0.00 H new ATOM 0 HH2 TRP A 45 13.359 -5.808 -7.469 1.00 0.00 H new ATOM 691 N HIS A 46 13.669 -14.217 -3.066 1.00 0.00 N ATOM 692 CA HIS A 46 14.023 -14.996 -1.884 1.00 0.00 C ATOM 693 C HIS A 46 15.386 -14.573 -1.343 1.00 0.00 C ATOM 694 O HIS A 46 16.350 -14.400 -2.089 1.00 0.00 O ATOM 695 CB HIS A 46 14.033 -16.488 -2.215 1.00 0.00 C ATOM 696 CG HIS A 46 13.673 -17.362 -1.053 1.00 0.00 C ATOM 697 ND1 HIS A 46 14.435 -18.442 -0.659 1.00 0.00 N ATOM 698 CD2 HIS A 46 12.626 -17.310 -0.198 1.00 0.00 C ATOM 699 CE1 HIS A 46 13.871 -19.017 0.388 1.00 0.00 C ATOM 700 NE2 HIS A 46 12.772 -18.349 0.688 1.00 0.00 N ATOM 0 H HIS A 46 13.538 -14.771 -3.912 1.00 0.00 H new ATOM 0 HA HIS A 46 13.273 -14.807 -1.116 1.00 0.00 H new ATOM 0 HB2 HIS A 46 13.334 -16.676 -3.030 1.00 0.00 H new ATOM 0 HB3 HIS A 46 15.024 -16.765 -2.574 1.00 0.00 H new ATOM 0 HD2 HIS A 46 11.825 -16.586 -0.210 1.00 0.00 H new ATOM 0 HE1 HIS A 46 14.245 -19.885 0.910 1.00 0.00 H new ATOM 0 HE2 HIS A 46 12.135 -18.569 1.454 1.00 0.00 H new ATOM 708 N PRO A 47 15.469 -14.402 -0.016 1.00 0.00 N ATOM 709 CA PRO A 47 16.709 -13.998 0.654 1.00 0.00 C ATOM 710 C PRO A 47 17.766 -15.097 0.630 1.00 0.00 C ATOM 711 O PRO A 47 18.963 -14.818 0.566 1.00 0.00 O ATOM 712 CB PRO A 47 16.261 -13.718 2.091 1.00 0.00 C ATOM 713 CG PRO A 47 15.039 -14.550 2.275 1.00 0.00 C ATOM 714 CD PRO A 47 14.360 -14.592 0.934 1.00 0.00 C ATOM 0 HA PRO A 47 17.177 -13.144 0.165 1.00 0.00 H new ATOM 0 HB2 PRO A 47 17.036 -13.989 2.807 1.00 0.00 H new ATOM 0 HB3 PRO A 47 16.046 -12.660 2.240 1.00 0.00 H new ATOM 0 HG2 PRO A 47 15.298 -15.554 2.613 1.00 0.00 H new ATOM 0 HG3 PRO A 47 14.383 -14.118 3.031 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.850 -15.541 0.771 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.610 -13.807 0.839 1.00 0.00 H new ATOM 722 N ASP A 48 17.315 -16.345 0.682 1.00 0.00 N ATOM 723 CA ASP A 48 18.223 -17.487 0.665 1.00 0.00 C ATOM 724 C ASP A 48 19.084 -17.477 -0.595 1.00 0.00 C ATOM 725 O ASP A 48 20.245 -17.887 -0.570 1.00 0.00 O ATOM 726 CB ASP A 48 17.434 -18.794 0.748 1.00 0.00 C ATOM 727 CG ASP A 48 16.763 -18.980 2.095 1.00 0.00 C ATOM 728 OD1 ASP A 48 15.944 -18.116 2.474 1.00 0.00 O ATOM 729 OD2 ASP A 48 17.056 -19.989 2.771 1.00 0.00 O ATOM 0 H ASP A 48 16.327 -16.592 0.736 1.00 0.00 H new ATOM 0 HA ASP A 48 18.879 -17.412 1.533 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.678 -18.809 -0.037 1.00 0.00 H new ATOM 0 HB3 ASP A 48 18.105 -19.633 0.560 1.00 0.00 H new ATOM 734 N LYS A 49 18.507 -17.008 -1.696 1.00 0.00 N ATOM 735 CA LYS A 49 19.220 -16.945 -2.966 1.00 0.00 C ATOM 736 C LYS A 49 19.825 -15.561 -3.183 1.00 0.00 C ATOM 737 O LYS A 49 20.860 -15.421 -3.832 1.00 0.00 O ATOM 738 CB LYS A 49 18.277 -17.288 -4.122 1.00 0.00 C ATOM 739 CG LYS A 49 17.862 -18.748 -4.156 1.00 0.00 C ATOM 740 CD LYS A 49 18.968 -19.629 -4.713 1.00 0.00 C ATOM 741 CE LYS A 49 18.487 -21.055 -4.933 1.00 0.00 C ATOM 742 NZ LYS A 49 18.218 -21.755 -3.646 1.00 0.00 N ATOM 0 H LYS A 49 17.547 -16.666 -1.734 1.00 0.00 H new ATOM 0 HA LYS A 49 20.029 -17.675 -2.936 1.00 0.00 H new ATOM 0 HB2 LYS A 49 17.384 -16.667 -4.048 1.00 0.00 H new ATOM 0 HB3 LYS A 49 18.764 -17.035 -5.064 1.00 0.00 H new ATOM 0 HG2 LYS A 49 17.605 -19.078 -3.149 1.00 0.00 H new ATOM 0 HG3 LYS A 49 16.966 -18.858 -4.766 1.00 0.00 H new ATOM 0 HD2 LYS A 49 19.325 -19.215 -5.656 1.00 0.00 H new ATOM 0 HD3 LYS A 49 19.814 -19.631 -4.026 1.00 0.00 H new ATOM 0 HE2 LYS A 49 17.579 -21.043 -5.536 1.00 0.00 H new ATOM 0 HE3 LYS A 49 19.238 -21.608 -5.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 17.892 -22.724 -3.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 19.090 -21.789 -3.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 17.483 -21.242 -3.118 1.00 0.00 H new ATOM 756 N ASN A 50 19.172 -14.543 -2.632 1.00 0.00 N ATOM 757 CA ASN A 50 19.646 -13.170 -2.765 1.00 0.00 C ATOM 758 C ASN A 50 20.775 -12.887 -1.779 1.00 0.00 C ATOM 759 O ASN A 50 20.594 -12.984 -0.565 1.00 0.00 O ATOM 760 CB ASN A 50 18.496 -12.187 -2.536 1.00 0.00 C ATOM 761 CG ASN A 50 17.747 -11.866 -3.815 1.00 0.00 C ATOM 762 OD1 ASN A 50 18.326 -11.862 -4.902 1.00 0.00 O ATOM 763 ND2 ASN A 50 16.453 -11.594 -3.691 1.00 0.00 N ATOM 0 H ASN A 50 18.314 -14.643 -2.090 1.00 0.00 H new ATOM 0 HA ASN A 50 20.030 -13.041 -3.777 1.00 0.00 H new ATOM 0 HB2 ASN A 50 17.802 -12.607 -1.807 1.00 0.00 H new ATOM 0 HB3 ASN A 50 18.889 -11.265 -2.107 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.898 -11.370 -4.517 1.00 0.00 H new ATOM 0 HD22 ASN A 50 16.015 -11.609 -2.770 1.00 0.00 H new ATOM 770 N LYS A 51 21.942 -12.536 -2.309 1.00 0.00 N ATOM 771 CA LYS A 51 23.102 -12.237 -1.477 1.00 0.00 C ATOM 772 C LYS A 51 23.255 -10.732 -1.278 1.00 0.00 C ATOM 773 O LYS A 51 23.837 -10.284 -0.290 1.00 0.00 O ATOM 774 CB LYS A 51 24.371 -12.810 -2.111 1.00 0.00 C ATOM 775 CG LYS A 51 24.371 -14.325 -2.211 1.00 0.00 C ATOM 776 CD LYS A 51 24.587 -14.974 -0.854 1.00 0.00 C ATOM 777 CE LYS A 51 25.117 -16.393 -0.993 1.00 0.00 C ATOM 778 NZ LYS A 51 26.594 -16.417 -1.185 1.00 0.00 N ATOM 0 H LYS A 51 22.110 -12.452 -3.312 1.00 0.00 H new ATOM 0 HA LYS A 51 22.949 -12.701 -0.503 1.00 0.00 H new ATOM 0 HB2 LYS A 51 24.490 -12.389 -3.109 1.00 0.00 H new ATOM 0 HB3 LYS A 51 25.234 -12.493 -1.526 1.00 0.00 H new ATOM 0 HG2 LYS A 51 23.423 -14.663 -2.630 1.00 0.00 H new ATOM 0 HG3 LYS A 51 25.155 -14.645 -2.897 1.00 0.00 H new ATOM 0 HD2 LYS A 51 25.289 -14.377 -0.272 1.00 0.00 H new ATOM 0 HD3 LYS A 51 23.647 -14.988 -0.302 1.00 0.00 H new ATOM 0 HE2 LYS A 51 24.857 -16.967 -0.103 1.00 0.00 H new ATOM 0 HE3 LYS A 51 24.633 -16.880 -1.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 26.916 -17.402 -1.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 26.841 -15.891 -2.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 27.058 -15.975 -0.366 1.00 0.00 H new ATOM 792 N ASP A 52 22.727 -9.959 -2.220 1.00 0.00 N ATOM 793 CA ASP A 52 22.802 -8.504 -2.146 1.00 0.00 C ATOM 794 C ASP A 52 22.031 -7.981 -0.939 1.00 0.00 C ATOM 795 O ASP A 52 20.964 -8.484 -0.587 1.00 0.00 O ATOM 796 CB ASP A 52 22.253 -7.878 -3.429 1.00 0.00 C ATOM 797 CG ASP A 52 23.321 -7.704 -4.491 1.00 0.00 C ATOM 798 OD1 ASP A 52 23.837 -8.727 -4.987 1.00 0.00 O ATOM 799 OD2 ASP A 52 23.641 -6.543 -4.826 1.00 0.00 O ATOM 0 H ASP A 52 22.242 -10.315 -3.044 1.00 0.00 H new ATOM 0 HA ASP A 52 23.849 -8.224 -2.034 1.00 0.00 H new ATOM 0 HB2 ASP A 52 21.453 -8.505 -3.822 1.00 0.00 H new ATOM 0 HB3 ASP A 52 21.814 -6.908 -3.197 1.00 0.00 H new ATOM 804 N PRO A 53 22.582 -6.946 -0.287 1.00 0.00 N ATOM 805 CA PRO A 53 21.963 -6.332 0.891 1.00 0.00 C ATOM 806 C PRO A 53 20.693 -5.563 0.544 1.00 0.00 C ATOM 807 O PRO A 53 20.733 -4.578 -0.193 1.00 0.00 O ATOM 808 CB PRO A 53 23.044 -5.376 1.402 1.00 0.00 C ATOM 809 CG PRO A 53 23.866 -5.057 0.201 1.00 0.00 C ATOM 810 CD PRO A 53 23.852 -6.296 -0.651 1.00 0.00 C ATOM 0 HA PRO A 53 21.653 -7.077 1.623 1.00 0.00 H new ATOM 0 HB2 PRO A 53 22.605 -4.476 1.832 1.00 0.00 H new ATOM 0 HB3 PRO A 53 23.647 -5.841 2.182 1.00 0.00 H new ATOM 0 HG2 PRO A 53 23.452 -4.206 -0.340 1.00 0.00 H new ATOM 0 HG3 PRO A 53 24.884 -4.790 0.485 1.00 0.00 H new ATOM 0 HD2 PRO A 53 23.889 -6.054 -1.713 1.00 0.00 H new ATOM 0 HD3 PRO A 53 24.707 -6.938 -0.440 1.00 0.00 H new ATOM 818 N GLY A 54 19.565 -6.020 1.080 1.00 0.00 N ATOM 819 CA GLY A 54 18.298 -5.362 0.815 1.00 0.00 C ATOM 820 C GLY A 54 17.225 -6.332 0.364 1.00 0.00 C ATOM 821 O GLY A 54 16.073 -6.234 0.787 1.00 0.00 O ATOM 0 H GLY A 54 19.506 -6.833 1.693 1.00 0.00 H new ATOM 0 HA2 GLY A 54 17.963 -4.848 1.716 1.00 0.00 H new ATOM 0 HA3 GLY A 54 18.441 -4.601 0.048 1.00 0.00 H new ATOM 825 N ALA A 55 17.601 -7.271 -0.497 1.00 0.00 N ATOM 826 CA ALA A 55 16.662 -8.263 -1.005 1.00 0.00 C ATOM 827 C ALA A 55 15.675 -8.689 0.076 1.00 0.00 C ATOM 828 O ALA A 55 14.490 -8.884 -0.194 1.00 0.00 O ATOM 829 CB ALA A 55 17.412 -9.473 -1.544 1.00 0.00 C ATOM 0 H ALA A 55 18.550 -7.366 -0.858 1.00 0.00 H new ATOM 0 HA ALA A 55 16.096 -7.808 -1.818 1.00 0.00 H new ATOM 0 HB1 ALA A 55 16.698 -10.206 -1.920 1.00 0.00 H new ATOM 0 HB2 ALA A 55 18.072 -9.161 -2.353 1.00 0.00 H new ATOM 0 HB3 ALA A 55 18.004 -9.920 -0.745 1.00 0.00 H new ATOM 835 N GLU A 56 16.172 -8.832 1.301 1.00 0.00 N ATOM 836 CA GLU A 56 15.332 -9.237 2.422 1.00 0.00 C ATOM 837 C GLU A 56 14.235 -8.207 2.680 1.00 0.00 C ATOM 838 O GLU A 56 13.070 -8.559 2.867 1.00 0.00 O ATOM 839 CB GLU A 56 16.180 -9.421 3.683 1.00 0.00 C ATOM 840 CG GLU A 56 15.505 -10.263 4.752 1.00 0.00 C ATOM 841 CD GLU A 56 14.678 -9.432 5.714 1.00 0.00 C ATOM 842 OE1 GLU A 56 15.079 -8.284 6.001 1.00 0.00 O ATOM 843 OE2 GLU A 56 13.631 -9.928 6.179 1.00 0.00 O ATOM 0 H GLU A 56 17.150 -8.674 1.542 1.00 0.00 H new ATOM 0 HA GLU A 56 14.862 -10.187 2.166 1.00 0.00 H new ATOM 0 HB2 GLU A 56 17.127 -9.887 3.409 1.00 0.00 H new ATOM 0 HB3 GLU A 56 16.415 -8.441 4.099 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.864 -11.004 4.274 1.00 0.00 H new ATOM 0 HG3 GLU A 56 16.264 -10.811 5.311 1.00 0.00 H new ATOM 850 N ASP A 57 14.617 -6.935 2.689 1.00 0.00 N ATOM 851 CA ASP A 57 13.667 -5.854 2.923 1.00 0.00 C ATOM 852 C ASP A 57 12.424 -6.024 2.055 1.00 0.00 C ATOM 853 O ASP A 57 11.300 -6.019 2.555 1.00 0.00 O ATOM 854 CB ASP A 57 14.321 -4.501 2.639 1.00 0.00 C ATOM 855 CG ASP A 57 13.382 -3.338 2.893 1.00 0.00 C ATOM 856 OD1 ASP A 57 12.479 -3.480 3.744 1.00 0.00 O ATOM 857 OD2 ASP A 57 13.551 -2.286 2.242 1.00 0.00 O ATOM 0 H ASP A 57 15.577 -6.627 2.537 1.00 0.00 H new ATOM 0 HA ASP A 57 13.365 -5.890 3.970 1.00 0.00 H new ATOM 0 HB2 ASP A 57 15.207 -4.391 3.264 1.00 0.00 H new ATOM 0 HB3 ASP A 57 14.656 -4.474 1.602 1.00 0.00 H new ATOM 862 N ARG A 58 12.636 -6.174 0.751 1.00 0.00 N ATOM 863 CA ARG A 58 11.533 -6.343 -0.187 1.00 0.00 C ATOM 864 C ARG A 58 10.790 -7.649 0.077 1.00 0.00 C ATOM 865 O ARG A 58 9.561 -7.675 0.139 1.00 0.00 O ATOM 866 CB ARG A 58 12.052 -6.321 -1.626 1.00 0.00 C ATOM 867 CG ARG A 58 10.986 -5.972 -2.653 1.00 0.00 C ATOM 868 CD ARG A 58 10.631 -4.494 -2.607 1.00 0.00 C ATOM 869 NE ARG A 58 11.687 -3.660 -3.176 1.00 0.00 N ATOM 870 CZ ARG A 58 11.914 -3.550 -4.480 1.00 0.00 C ATOM 871 NH1 ARG A 58 11.162 -4.217 -5.346 1.00 0.00 N ATOM 872 NH2 ARG A 58 12.893 -2.771 -4.921 1.00 0.00 N ATOM 0 H ARG A 58 13.561 -6.182 0.321 1.00 0.00 H new ATOM 0 HA ARG A 58 10.838 -5.515 -0.045 1.00 0.00 H new ATOM 0 HB2 ARG A 58 12.865 -5.599 -1.699 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.471 -7.298 -1.867 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.341 -6.231 -3.650 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.092 -6.568 -2.468 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.703 -4.327 -3.153 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.451 -4.196 -1.574 1.00 0.00 H new ATOM 0 HE ARG A 58 12.282 -3.133 -2.537 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.407 -4.816 -5.011 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.338 -4.131 -6.347 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.472 -2.256 -4.258 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.066 -2.687 -5.923 1.00 0.00 H new ATOM 886 N PHE A 59 11.545 -8.732 0.232 1.00 0.00 N ATOM 887 CA PHE A 59 10.959 -10.043 0.487 1.00 0.00 C ATOM 888 C PHE A 59 9.878 -9.955 1.562 1.00 0.00 C ATOM 889 O PHE A 59 8.869 -10.657 1.500 1.00 0.00 O ATOM 890 CB PHE A 59 12.042 -11.034 0.917 1.00 0.00 C ATOM 891 CG PHE A 59 11.496 -12.359 1.370 1.00 0.00 C ATOM 892 CD1 PHE A 59 11.039 -13.286 0.448 1.00 0.00 C ATOM 893 CD2 PHE A 59 11.440 -12.675 2.718 1.00 0.00 C ATOM 894 CE1 PHE A 59 10.537 -14.506 0.862 1.00 0.00 C ATOM 895 CE2 PHE A 59 10.939 -13.893 3.137 1.00 0.00 C ATOM 896 CZ PHE A 59 10.486 -14.809 2.208 1.00 0.00 C ATOM 0 H PHE A 59 12.564 -8.728 0.185 1.00 0.00 H new ATOM 0 HA PHE A 59 10.501 -10.395 -0.437 1.00 0.00 H new ATOM 0 HB2 PHE A 59 12.726 -11.197 0.084 1.00 0.00 H new ATOM 0 HB3 PHE A 59 12.625 -10.594 1.726 1.00 0.00 H new ATOM 0 HD1 PHE A 59 11.075 -13.053 -0.606 1.00 0.00 H new ATOM 0 HD2 PHE A 59 11.792 -11.962 3.449 1.00 0.00 H new ATOM 0 HE1 PHE A 59 10.185 -15.221 0.133 1.00 0.00 H new ATOM 0 HE2 PHE A 59 10.902 -14.128 4.190 1.00 0.00 H new ATOM 0 HZ PHE A 59 10.093 -15.761 2.534 1.00 0.00 H new ATOM 906 N ILE A 60 10.099 -9.088 2.545 1.00 0.00 N ATOM 907 CA ILE A 60 9.145 -8.908 3.632 1.00 0.00 C ATOM 908 C ILE A 60 7.875 -8.223 3.140 1.00 0.00 C ATOM 909 O ILE A 60 6.765 -8.664 3.439 1.00 0.00 O ATOM 910 CB ILE A 60 9.750 -8.080 4.780 1.00 0.00 C ATOM 911 CG1 ILE A 60 11.025 -8.745 5.302 1.00 0.00 C ATOM 912 CG2 ILE A 60 8.737 -7.911 5.903 1.00 0.00 C ATOM 913 CD1 ILE A 60 11.863 -7.842 6.179 1.00 0.00 C ATOM 0 H ILE A 60 10.930 -8.500 2.611 1.00 0.00 H new ATOM 0 HA ILE A 60 8.898 -9.902 4.004 1.00 0.00 H new ATOM 0 HB ILE A 60 10.008 -7.092 4.398 1.00 0.00 H new ATOM 0 HG12 ILE A 60 10.754 -9.637 5.867 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.626 -9.074 4.455 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.180 -7.323 6.707 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.854 -7.398 5.522 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.450 -8.891 6.285 1.00 0.00 H new ATOM 0 HD11 ILE A 60 12.750 -8.380 6.512 1.00 0.00 H new ATOM 0 HD12 ILE A 60 12.164 -6.961 5.612 1.00 0.00 H new ATOM 0 HD13 ILE A 60 11.279 -7.533 7.046 1.00 0.00 H new ATOM 925 N GLN A 61 8.046 -7.144 2.383 1.00 0.00 N ATOM 926 CA GLN A 61 6.912 -6.399 1.849 1.00 0.00 C ATOM 927 C GLN A 61 6.034 -7.292 0.980 1.00 0.00 C ATOM 928 O GLN A 61 4.807 -7.186 1.004 1.00 0.00 O ATOM 929 CB GLN A 61 7.401 -5.199 1.036 1.00 0.00 C ATOM 930 CG GLN A 61 7.726 -3.980 1.886 1.00 0.00 C ATOM 931 CD GLN A 61 8.201 -2.802 1.058 1.00 0.00 C ATOM 932 OE1 GLN A 61 9.389 -2.476 1.046 1.00 0.00 O ATOM 933 NE2 GLN A 61 7.274 -2.157 0.360 1.00 0.00 N ATOM 0 H GLN A 61 8.958 -6.766 2.126 1.00 0.00 H new ATOM 0 HA GLN A 61 6.316 -6.042 2.689 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.290 -5.488 0.475 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.638 -4.930 0.306 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.840 -3.689 2.451 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.495 -4.243 2.612 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.301 -2.462 0.400 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.534 -1.357 -0.216 1.00 0.00 H new ATOM 942 N ILE A 62 6.669 -8.173 0.214 1.00 0.00 N ATOM 943 CA ILE A 62 5.945 -9.085 -0.662 1.00 0.00 C ATOM 944 C ILE A 62 5.019 -9.996 0.137 1.00 0.00 C ATOM 945 O ILE A 62 3.849 -10.164 -0.206 1.00 0.00 O ATOM 946 CB ILE A 62 6.909 -9.953 -1.492 1.00 0.00 C ATOM 947 CG1 ILE A 62 7.675 -9.087 -2.495 1.00 0.00 C ATOM 948 CG2 ILE A 62 6.145 -11.055 -2.211 1.00 0.00 C ATOM 949 CD1 ILE A 62 8.951 -9.726 -2.994 1.00 0.00 C ATOM 0 H ILE A 62 7.683 -8.274 0.183 1.00 0.00 H new ATOM 0 HA ILE A 62 5.351 -8.469 -1.337 1.00 0.00 H new ATOM 0 HB ILE A 62 7.628 -10.417 -0.817 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.028 -8.873 -3.346 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.915 -8.131 -2.029 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.840 -11.660 -2.793 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.641 -11.686 -1.479 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.406 -10.610 -2.877 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.441 -9.056 -3.701 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.617 -9.915 -2.152 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.716 -10.668 -3.490 1.00 0.00 H new ATOM 961 N SER A 63 5.551 -10.581 1.205 1.00 0.00 N ATOM 962 CA SER A 63 4.773 -11.477 2.053 1.00 0.00 C ATOM 963 C SER A 63 3.691 -10.709 2.806 1.00 0.00 C ATOM 964 O SER A 63 2.550 -11.160 2.907 1.00 0.00 O ATOM 965 CB SER A 63 5.689 -12.195 3.047 1.00 0.00 C ATOM 966 OG SER A 63 5.061 -13.352 3.574 1.00 0.00 O ATOM 0 H SER A 63 6.517 -10.451 1.504 1.00 0.00 H new ATOM 0 HA SER A 63 4.291 -12.216 1.413 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.619 -12.475 2.553 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.952 -11.518 3.860 1.00 0.00 H new ATOM 0 HG SER A 63 5.667 -13.794 4.205 1.00 0.00 H new ATOM 972 N LYS A 64 4.057 -9.545 3.332 1.00 0.00 N ATOM 973 CA LYS A 64 3.119 -8.712 4.074 1.00 0.00 C ATOM 974 C LYS A 64 1.941 -8.303 3.195 1.00 0.00 C ATOM 975 O LYS A 64 0.804 -8.228 3.661 1.00 0.00 O ATOM 976 CB LYS A 64 3.826 -7.464 4.610 1.00 0.00 C ATOM 977 CG LYS A 64 4.851 -7.763 5.690 1.00 0.00 C ATOM 978 CD LYS A 64 4.190 -7.995 7.038 1.00 0.00 C ATOM 979 CE LYS A 64 5.073 -8.826 7.956 1.00 0.00 C ATOM 980 NZ LYS A 64 4.744 -8.604 9.392 1.00 0.00 N ATOM 0 H LYS A 64 4.997 -9.157 3.258 1.00 0.00 H new ATOM 0 HA LYS A 64 2.739 -9.296 4.913 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.320 -6.953 3.783 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.080 -6.777 5.009 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.429 -8.644 5.411 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.553 -6.933 5.766 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.975 -7.036 7.509 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.235 -8.501 6.894 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.955 -9.882 7.715 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.119 -8.574 7.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.367 -9.188 9.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.881 -7.601 9.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.753 -8.868 9.566 1.00 0.00 H new ATOM 994 N ALA A 65 2.221 -8.041 1.923 1.00 0.00 N ATOM 995 CA ALA A 65 1.183 -7.643 0.979 1.00 0.00 C ATOM 996 C ALA A 65 0.171 -8.765 0.771 1.00 0.00 C ATOM 997 O ALA A 65 -1.025 -8.584 0.998 1.00 0.00 O ATOM 998 CB ALA A 65 1.806 -7.239 -0.349 1.00 0.00 C ATOM 0 H ALA A 65 3.157 -8.097 1.522 1.00 0.00 H new ATOM 0 HA ALA A 65 0.655 -6.786 1.397 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.020 -6.944 -1.045 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.485 -6.401 -0.192 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.359 -8.082 -0.763 1.00 0.00 H new ATOM 1004 N TYR A 66 0.658 -9.922 0.338 1.00 0.00 N ATOM 1005 CA TYR A 66 -0.204 -11.072 0.097 1.00 0.00 C ATOM 1006 C TYR A 66 -0.991 -11.436 1.352 1.00 0.00 C ATOM 1007 O TYR A 66 -2.186 -11.722 1.288 1.00 0.00 O ATOM 1008 CB TYR A 66 0.626 -12.272 -0.364 1.00 0.00 C ATOM 1009 CG TYR A 66 -0.205 -13.486 -0.712 1.00 0.00 C ATOM 1010 CD1 TYR A 66 -1.399 -13.357 -1.413 1.00 0.00 C ATOM 1011 CD2 TYR A 66 0.201 -14.761 -0.340 1.00 0.00 C ATOM 1012 CE1 TYR A 66 -2.162 -14.463 -1.733 1.00 0.00 C ATOM 1013 CE2 TYR A 66 -0.555 -15.873 -0.657 1.00 0.00 C ATOM 1014 CZ TYR A 66 -1.736 -15.719 -1.353 1.00 0.00 C ATOM 1015 OH TYR A 66 -2.492 -16.824 -1.669 1.00 0.00 O ATOM 0 H TYR A 66 1.646 -10.088 0.147 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.911 -10.805 -0.689 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.214 -11.983 -1.235 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.332 -12.539 0.423 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.735 -12.375 -1.712 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.124 -14.885 0.207 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.087 -14.345 -2.278 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.223 -16.857 -0.362 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.390 -16.540 -1.938 1.00 0.00 H new ATOM 1025 N GLU A 67 -0.310 -11.423 2.494 1.00 0.00 N ATOM 1026 CA GLU A 67 -0.945 -11.751 3.765 1.00 0.00 C ATOM 1027 C GLU A 67 -2.362 -11.188 3.828 1.00 0.00 C ATOM 1028 O GLU A 67 -3.313 -11.906 4.137 1.00 0.00 O ATOM 1029 CB GLU A 67 -0.116 -11.206 4.930 1.00 0.00 C ATOM 1030 CG GLU A 67 0.930 -12.183 5.443 1.00 0.00 C ATOM 1031 CD GLU A 67 0.324 -13.488 5.920 1.00 0.00 C ATOM 1032 OE1 GLU A 67 0.058 -14.364 5.070 1.00 0.00 O ATOM 1033 OE2 GLU A 67 0.116 -13.635 7.142 1.00 0.00 O ATOM 0 H GLU A 67 0.680 -11.189 2.565 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.001 -12.837 3.844 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.380 -10.288 4.614 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.785 -10.941 5.748 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.649 -12.389 4.650 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.482 -11.722 6.262 1.00 0.00 H new ATOM 1040 N ILE A 68 -2.494 -9.900 3.532 1.00 0.00 N ATOM 1041 CA ILE A 68 -3.793 -9.240 3.554 1.00 0.00 C ATOM 1042 C ILE A 68 -4.806 -9.994 2.699 1.00 0.00 C ATOM 1043 O ILE A 68 -5.908 -10.308 3.153 1.00 0.00 O ATOM 1044 CB ILE A 68 -3.696 -7.787 3.053 1.00 0.00 C ATOM 1045 CG1 ILE A 68 -2.718 -6.990 3.919 1.00 0.00 C ATOM 1046 CG2 ILE A 68 -5.070 -7.133 3.056 1.00 0.00 C ATOM 1047 CD1 ILE A 68 -2.016 -5.879 3.171 1.00 0.00 C ATOM 0 H ILE A 68 -1.717 -9.292 3.274 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.127 -9.236 4.592 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.321 -7.795 2.029 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.258 -6.563 4.764 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.971 -7.670 4.329 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.985 -6.106 2.699 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.740 -7.690 2.401 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.471 -7.133 4.070 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.339 -5.357 3.847 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.448 -6.301 2.342 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.755 -5.177 2.784 1.00 0.00 H new ATOM 1059 N LEU A 69 -4.427 -10.285 1.460 1.00 0.00 N ATOM 1060 CA LEU A 69 -5.301 -11.004 0.540 1.00 0.00 C ATOM 1061 C LEU A 69 -5.409 -12.475 0.930 1.00 0.00 C ATOM 1062 O LEU A 69 -6.483 -12.955 1.293 1.00 0.00 O ATOM 1063 CB LEU A 69 -4.780 -10.881 -0.892 1.00 0.00 C ATOM 1064 CG LEU A 69 -4.368 -9.478 -1.338 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -3.394 -9.553 -2.505 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -5.592 -8.657 -1.715 1.00 0.00 C ATOM 0 H LEU A 69 -3.519 -10.034 1.069 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.294 -10.558 0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.921 -11.543 -1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.552 -11.244 -1.571 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.867 -8.985 -0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.112 -8.545 -2.809 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.503 -10.103 -2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.868 -10.065 -3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.279 -7.661 -2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.121 -9.147 -2.533 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.254 -8.574 -0.853 1.00 0.00 H new ATOM 1078 N SER A 70 -4.288 -13.186 0.854 1.00 0.00 N ATOM 1079 CA SER A 70 -4.256 -14.603 1.197 1.00 0.00 C ATOM 1080 C SER A 70 -5.223 -14.907 2.337 1.00 0.00 C ATOM 1081 O SER A 70 -6.061 -15.802 2.232 1.00 0.00 O ATOM 1082 CB SER A 70 -2.838 -15.022 1.590 1.00 0.00 C ATOM 1083 OG SER A 70 -2.715 -16.433 1.625 1.00 0.00 O ATOM 0 H SER A 70 -3.390 -12.804 0.558 1.00 0.00 H new ATOM 0 HA SER A 70 -4.565 -15.172 0.320 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.123 -14.609 0.879 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.591 -14.608 2.567 1.00 0.00 H new ATOM 0 HG SER A 70 -2.144 -16.730 0.886 1.00 0.00 H new ATOM 1089 N ASN A 71 -5.100 -14.155 3.426 1.00 0.00 N ATOM 1090 CA ASN A 71 -5.962 -14.344 4.587 1.00 0.00 C ATOM 1091 C ASN A 71 -7.386 -13.883 4.288 1.00 0.00 C ATOM 1092 O ASN A 71 -7.655 -12.685 4.203 1.00 0.00 O ATOM 1093 CB ASN A 71 -5.408 -13.579 5.790 1.00 0.00 C ATOM 1094 CG ASN A 71 -4.420 -14.402 6.593 1.00 0.00 C ATOM 1095 OD1 ASN A 71 -4.684 -15.557 6.927 1.00 0.00 O ATOM 1096 ND2 ASN A 71 -3.274 -13.809 6.908 1.00 0.00 N ATOM 0 H ASN A 71 -4.412 -13.409 3.529 1.00 0.00 H new ATOM 0 HA ASN A 71 -5.985 -15.408 4.822 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.921 -12.667 5.444 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.232 -13.275 6.435 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.571 -14.313 7.448 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.097 -12.850 6.610 1.00 0.00 H new ATOM 1103 N GLU A 72 -8.293 -14.842 4.131 1.00 0.00 N ATOM 1104 CA GLU A 72 -9.688 -14.533 3.842 1.00 0.00 C ATOM 1105 C GLU A 72 -10.158 -13.329 4.653 1.00 0.00 C ATOM 1106 O GLU A 72 -10.558 -12.309 4.094 1.00 0.00 O ATOM 1107 CB GLU A 72 -10.574 -15.743 4.144 1.00 0.00 C ATOM 1108 CG GLU A 72 -12.037 -15.530 3.792 1.00 0.00 C ATOM 1109 CD GLU A 72 -12.852 -16.805 3.884 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -13.296 -17.145 5.001 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -13.045 -17.464 2.841 1.00 0.00 O ATOM 0 H GLU A 72 -8.087 -15.839 4.199 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.768 -14.289 2.783 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.198 -16.605 3.592 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.496 -15.984 5.204 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.463 -14.782 4.461 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.109 -15.130 2.781 1.00 0.00 H new ATOM 1118 N GLU A 73 -10.108 -13.458 5.976 1.00 0.00 N ATOM 1119 CA GLU A 73 -10.530 -12.382 6.864 1.00 0.00 C ATOM 1120 C GLU A 73 -9.947 -11.045 6.415 1.00 0.00 C ATOM 1121 O GLU A 73 -10.677 -10.139 6.013 1.00 0.00 O ATOM 1122 CB GLU A 73 -10.102 -12.680 8.302 1.00 0.00 C ATOM 1123 CG GLU A 73 -11.053 -13.607 9.041 1.00 0.00 C ATOM 1124 CD GLU A 73 -10.758 -13.682 10.526 1.00 0.00 C ATOM 1125 OE1 GLU A 73 -9.631 -14.082 10.887 1.00 0.00 O ATOM 1126 OE2 GLU A 73 -11.653 -13.341 11.327 1.00 0.00 O ATOM 0 H GLU A 73 -9.780 -14.296 6.455 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.617 -12.317 6.822 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -9.108 -13.127 8.291 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.023 -11.741 8.851 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.077 -13.263 8.895 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.988 -14.606 8.611 1.00 0.00 H new ATOM 1133 N LYS A 74 -8.625 -10.930 6.486 1.00 0.00 N ATOM 1134 CA LYS A 74 -7.941 -9.706 6.086 1.00 0.00 C ATOM 1135 C LYS A 74 -8.500 -9.174 4.770 1.00 0.00 C ATOM 1136 O LYS A 74 -8.834 -7.995 4.658 1.00 0.00 O ATOM 1137 CB LYS A 74 -6.438 -9.958 5.949 1.00 0.00 C ATOM 1138 CG LYS A 74 -5.728 -10.145 7.279 1.00 0.00 C ATOM 1139 CD LYS A 74 -4.221 -10.214 7.102 1.00 0.00 C ATOM 1140 CE LYS A 74 -3.605 -8.826 7.017 1.00 0.00 C ATOM 1141 NZ LYS A 74 -3.337 -8.254 8.366 1.00 0.00 N ATOM 0 H LYS A 74 -8.006 -11.670 6.817 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.109 -8.957 6.860 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.281 -10.845 5.335 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.985 -9.120 5.419 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.979 -9.320 7.946 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.081 -11.059 7.756 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.780 -10.758 7.937 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.985 -10.774 6.197 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.674 -8.876 6.452 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.275 -8.164 6.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.917 -7.308 8.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.229 -8.182 8.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.677 -8.872 8.880 1.00 0.00 H new ATOM 1155 N ARG A 75 -8.601 -10.052 3.778 1.00 0.00 N ATOM 1156 CA ARG A 75 -9.120 -9.671 2.470 1.00 0.00 C ATOM 1157 C ARG A 75 -10.522 -9.081 2.593 1.00 0.00 C ATOM 1158 O ARG A 75 -10.751 -7.920 2.252 1.00 0.00 O ATOM 1159 CB ARG A 75 -9.145 -10.882 1.535 1.00 0.00 C ATOM 1160 CG ARG A 75 -9.538 -10.540 0.107 1.00 0.00 C ATOM 1161 CD ARG A 75 -9.058 -11.600 -0.872 1.00 0.00 C ATOM 1162 NE ARG A 75 -10.019 -12.690 -1.014 1.00 0.00 N ATOM 1163 CZ ARG A 75 -11.168 -12.576 -1.670 1.00 0.00 C ATOM 1164 NH1 ARG A 75 -11.497 -11.427 -2.243 1.00 0.00 N ATOM 1165 NH2 ARG A 75 -11.990 -13.614 -1.756 1.00 0.00 N ATOM 0 H ARG A 75 -8.330 -11.032 3.855 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.460 -8.911 2.052 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -8.159 -11.347 1.530 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.844 -11.620 1.929 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.622 -10.445 0.040 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -9.116 -9.573 -0.166 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.883 -11.142 -1.845 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -8.103 -12.001 -0.533 1.00 0.00 H new ATOM 0 HE ARG A 75 -9.796 -13.588 -0.586 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.867 -10.627 -2.181 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.380 -11.343 -2.746 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -11.740 -14.500 -1.318 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -12.872 -13.525 -2.260 1.00 0.00 H new ATOM 1179 N THR A 76 -11.458 -9.889 3.081 1.00 0.00 N ATOM 1180 CA THR A 76 -12.837 -9.448 3.247 1.00 0.00 C ATOM 1181 C THR A 76 -12.904 -8.121 3.995 1.00 0.00 C ATOM 1182 O THR A 76 -13.702 -7.248 3.659 1.00 0.00 O ATOM 1183 CB THR A 76 -13.674 -10.495 4.006 1.00 0.00 C ATOM 1184 OG1 THR A 76 -13.615 -11.755 3.327 1.00 0.00 O ATOM 1185 CG2 THR A 76 -15.123 -10.046 4.125 1.00 0.00 C ATOM 0 H THR A 76 -11.286 -10.852 3.368 1.00 0.00 H new ATOM 0 HA THR A 76 -13.250 -9.319 2.247 1.00 0.00 H new ATOM 0 HB THR A 76 -13.259 -10.602 5.008 1.00 0.00 H new ATOM 0 HG1 THR A 76 -12.752 -12.183 3.506 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.695 -10.801 4.665 1.00 0.00 H new ATOM 0 HG22 THR A 76 -15.168 -9.101 4.667 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.546 -9.914 3.129 1.00 0.00 H new