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 38 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: 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= -0.614 K(o=-0.61,f=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -2.71! K(o=-2.7!,f=-1.9) USER MOD Single : A 49 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0045) USER MOD Single : A 50 ASN : amide:sc= -3.75! C(o=-3.8!,f=-3.9!) 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=-0.31) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.805 USER MOD Single : A 70 SER OG : rot -33:sc= -0.217 USER MOD Single : A 71 ASN : amide:sc= -0.092 K(o=-0.092,f=-10!) USER MOD Single : A 74 LYS NZ :NH3+ -158:sc= -0.0409 (180deg=-0.545) USER MOD Single : A 76 THR OG1 : rot 52:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 191 N ASP A 16 0.022 2.949 4.058 1.00 0.00 N ATOM 192 CA ASP A 16 1.462 2.727 3.990 1.00 0.00 C ATOM 193 C ASP A 16 1.844 2.030 2.688 1.00 0.00 C ATOM 194 O ASP A 16 2.585 2.579 1.872 1.00 0.00 O ATOM 195 CB ASP A 16 1.928 1.893 5.185 1.00 0.00 C ATOM 196 CG ASP A 16 1.004 0.725 5.472 1.00 0.00 C ATOM 197 OD1 ASP A 16 -0.178 0.969 5.793 1.00 0.00 O ATOM 198 OD2 ASP A 16 1.463 -0.432 5.376 1.00 0.00 O ATOM 0 HA ASP A 16 1.956 3.698 4.020 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.933 1.518 4.993 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.988 2.530 6.067 1.00 0.00 H new ATOM 203 N PHE A 17 1.333 0.817 2.500 1.00 0.00 N ATOM 204 CA PHE A 17 1.622 0.044 1.298 1.00 0.00 C ATOM 205 C PHE A 17 0.397 -0.751 0.856 1.00 0.00 C ATOM 206 O PHE A 17 -0.410 -1.178 1.681 1.00 0.00 O ATOM 207 CB PHE A 17 2.798 -0.903 1.545 1.00 0.00 C ATOM 208 CG PHE A 17 2.435 -2.106 2.368 1.00 0.00 C ATOM 209 CD1 PHE A 17 1.634 -3.106 1.841 1.00 0.00 C ATOM 210 CD2 PHE A 17 2.896 -2.238 3.668 1.00 0.00 C ATOM 211 CE1 PHE A 17 1.298 -4.214 2.596 1.00 0.00 C ATOM 212 CE2 PHE A 17 2.563 -3.343 4.428 1.00 0.00 C ATOM 213 CZ PHE A 17 1.764 -4.333 3.891 1.00 0.00 C ATOM 0 H PHE A 17 0.717 0.349 3.165 1.00 0.00 H new ATOM 0 HA PHE A 17 1.888 0.741 0.503 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.195 -1.235 0.586 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.596 -0.356 2.048 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.268 -3.019 0.829 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.523 -1.468 4.092 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.672 -4.986 2.174 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.927 -3.432 5.441 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.504 -5.199 4.482 1.00 0.00 H new ATOM 223 N ASP A 18 0.266 -0.946 -0.452 1.00 0.00 N ATOM 224 CA ASP A 18 -0.859 -1.690 -1.006 1.00 0.00 C ATOM 225 C ASP A 18 -0.444 -3.113 -1.368 1.00 0.00 C ATOM 226 O ASP A 18 0.656 -3.357 -1.864 1.00 0.00 O ATOM 227 CB ASP A 18 -1.412 -0.977 -2.241 1.00 0.00 C ATOM 228 CG ASP A 18 -2.898 -1.210 -2.427 1.00 0.00 C ATOM 229 OD1 ASP A 18 -3.695 -0.439 -1.852 1.00 0.00 O ATOM 230 OD2 ASP A 18 -3.264 -2.163 -3.146 1.00 0.00 O ATOM 0 H ASP A 18 0.925 -0.599 -1.148 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.639 -1.740 -0.246 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.223 0.093 -2.154 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.879 -1.324 -3.126 1.00 0.00 H new ATOM 235 N PRO A 19 -1.343 -4.075 -1.113 1.00 0.00 N ATOM 236 CA PRO A 19 -1.093 -5.489 -1.404 1.00 0.00 C ATOM 237 C PRO A 19 -1.063 -5.777 -2.901 1.00 0.00 C ATOM 238 O PRO A 19 -0.299 -6.623 -3.365 1.00 0.00 O ATOM 239 CB PRO A 19 -2.277 -6.202 -0.745 1.00 0.00 C ATOM 240 CG PRO A 19 -3.361 -5.180 -0.708 1.00 0.00 C ATOM 241 CD PRO A 19 -2.674 -3.855 -0.522 1.00 0.00 C ATOM 0 HA PRO A 19 -0.121 -5.815 -1.033 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.579 -7.079 -1.317 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.024 -6.547 0.257 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.941 -5.193 -1.631 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.056 -5.377 0.108 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.209 -3.050 -1.026 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.606 -3.582 0.531 1.00 0.00 H new ATOM 249 N TYR A 20 -1.899 -5.068 -3.651 1.00 0.00 N ATOM 250 CA TYR A 20 -1.970 -5.249 -5.096 1.00 0.00 C ATOM 251 C TYR A 20 -0.746 -4.649 -5.781 1.00 0.00 C ATOM 252 O TYR A 20 -0.186 -5.239 -6.705 1.00 0.00 O ATOM 253 CB TYR A 20 -3.244 -4.608 -5.650 1.00 0.00 C ATOM 254 CG TYR A 20 -4.429 -5.547 -5.684 1.00 0.00 C ATOM 255 CD1 TYR A 20 -4.931 -6.106 -4.515 1.00 0.00 C ATOM 256 CD2 TYR A 20 -5.045 -5.876 -6.885 1.00 0.00 C ATOM 257 CE1 TYR A 20 -6.013 -6.965 -4.542 1.00 0.00 C ATOM 258 CE2 TYR A 20 -6.128 -6.733 -6.921 1.00 0.00 C ATOM 259 CZ TYR A 20 -6.608 -7.275 -5.746 1.00 0.00 C ATOM 260 OH TYR A 20 -7.686 -8.129 -5.778 1.00 0.00 O ATOM 0 H TYR A 20 -2.537 -4.363 -3.282 1.00 0.00 H new ATOM 0 HA TYR A 20 -1.991 -6.319 -5.302 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.497 -3.739 -5.043 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.049 -4.246 -6.659 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.468 -5.865 -3.570 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.671 -5.455 -7.806 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -6.391 -7.391 -3.624 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -6.596 -6.977 -7.863 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.987 -8.241 -6.704 1.00 0.00 H new ATOM 270 N ARG A 21 -0.336 -3.472 -5.320 1.00 0.00 N ATOM 271 CA ARG A 21 0.821 -2.790 -5.887 1.00 0.00 C ATOM 272 C ARG A 21 2.108 -3.544 -5.565 1.00 0.00 C ATOM 273 O ARG A 21 2.997 -3.666 -6.408 1.00 0.00 O ATOM 274 CB ARG A 21 0.908 -1.359 -5.354 1.00 0.00 C ATOM 275 CG ARG A 21 -0.279 -0.492 -5.739 1.00 0.00 C ATOM 276 CD ARG A 21 0.116 0.971 -5.866 1.00 0.00 C ATOM 277 NE ARG A 21 -1.037 1.861 -5.763 1.00 0.00 N ATOM 278 CZ ARG A 21 -1.818 2.173 -6.792 1.00 0.00 C ATOM 279 NH1 ARG A 21 -1.571 1.670 -7.993 1.00 0.00 N ATOM 280 NH2 ARG A 21 -2.849 2.990 -6.619 1.00 0.00 N ATOM 0 H ARG A 21 -0.788 -2.971 -4.555 1.00 0.00 H new ATOM 0 HA ARG A 21 0.699 -2.760 -6.970 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.987 -1.389 -4.267 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.821 -0.896 -5.728 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.694 -0.841 -6.684 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.064 -0.594 -4.989 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.837 1.221 -5.088 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.612 1.130 -6.823 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.255 2.265 -4.852 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.779 1.041 -8.130 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.172 1.912 -8.781 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.042 3.379 -5.696 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.448 3.229 -7.409 1.00 0.00 H new ATOM 294 N VAL A 22 2.202 -4.047 -4.338 1.00 0.00 N ATOM 295 CA VAL A 22 3.379 -4.789 -3.904 1.00 0.00 C ATOM 296 C VAL A 22 3.535 -6.084 -4.693 1.00 0.00 C ATOM 297 O VAL A 22 4.557 -6.310 -5.343 1.00 0.00 O ATOM 298 CB VAL A 22 3.311 -5.122 -2.402 1.00 0.00 C ATOM 299 CG1 VAL A 22 4.372 -6.148 -2.033 1.00 0.00 C ATOM 300 CG2 VAL A 22 3.468 -3.858 -1.569 1.00 0.00 C ATOM 0 H VAL A 22 1.477 -3.954 -3.627 1.00 0.00 H new ATOM 0 HA VAL A 22 4.241 -4.148 -4.088 1.00 0.00 H new ATOM 0 HB VAL A 22 2.333 -5.553 -2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.308 -6.370 -0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.209 -7.062 -2.605 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.360 -5.748 -2.262 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.418 -4.111 -0.510 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.431 -3.396 -1.786 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.668 -3.159 -1.813 1.00 0.00 H new ATOM 310 N LEU A 23 2.514 -6.933 -4.634 1.00 0.00 N ATOM 311 CA LEU A 23 2.536 -8.207 -5.344 1.00 0.00 C ATOM 312 C LEU A 23 2.629 -7.989 -6.851 1.00 0.00 C ATOM 313 O LEU A 23 3.253 -8.773 -7.564 1.00 0.00 O ATOM 314 CB LEU A 23 1.284 -9.020 -5.012 1.00 0.00 C ATOM 315 CG LEU A 23 1.269 -9.700 -3.642 1.00 0.00 C ATOM 316 CD1 LEU A 23 -0.065 -10.390 -3.403 1.00 0.00 C ATOM 317 CD2 LEU A 23 2.414 -10.696 -3.529 1.00 0.00 C ATOM 0 H LEU A 23 1.661 -6.762 -4.102 1.00 0.00 H new ATOM 0 HA LEU A 23 3.418 -8.760 -5.020 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.419 -8.360 -5.077 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.159 -9.786 -5.777 1.00 0.00 H new ATOM 0 HG LEU A 23 1.401 -8.935 -2.877 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.057 -10.868 -2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.868 -9.653 -3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.228 -11.144 -4.173 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.388 -11.170 -2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.312 -11.457 -4.303 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.363 -10.175 -3.655 1.00 0.00 H new ATOM 329 N GLY A 24 2.006 -6.916 -7.328 1.00 0.00 N ATOM 330 CA GLY A 24 2.033 -6.613 -8.747 1.00 0.00 C ATOM 331 C GLY A 24 0.887 -7.260 -9.500 1.00 0.00 C ATOM 332 O GLY A 24 1.094 -7.891 -10.537 1.00 0.00 O ATOM 0 H GLY A 24 1.483 -6.251 -6.758 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.991 -5.533 -8.886 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.979 -6.952 -9.170 1.00 0.00 H new ATOM 336 N VAL A 25 -0.325 -7.104 -8.978 1.00 0.00 N ATOM 337 CA VAL A 25 -1.508 -7.679 -9.607 1.00 0.00 C ATOM 338 C VAL A 25 -2.617 -6.641 -9.744 1.00 0.00 C ATOM 339 O VAL A 25 -2.621 -5.627 -9.047 1.00 0.00 O ATOM 340 CB VAL A 25 -2.043 -8.881 -8.805 1.00 0.00 C ATOM 341 CG1 VAL A 25 -1.219 -10.126 -9.096 1.00 0.00 C ATOM 342 CG2 VAL A 25 -2.045 -8.569 -7.316 1.00 0.00 C ATOM 0 H VAL A 25 -0.514 -6.584 -8.121 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.206 -8.018 -10.598 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.070 -9.074 -9.114 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.611 -10.965 -8.521 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.274 -10.358 -10.160 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.181 -9.949 -8.816 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.426 -9.429 -6.765 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.029 -8.349 -6.989 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.682 -7.705 -7.126 1.00 0.00 H new ATOM 352 N SER A 26 -3.555 -6.902 -10.649 1.00 0.00 N ATOM 353 CA SER A 26 -4.668 -5.988 -10.881 1.00 0.00 C ATOM 354 C SER A 26 -5.974 -6.580 -10.361 1.00 0.00 C ATOM 355 O SER A 26 -6.017 -7.732 -9.927 1.00 0.00 O ATOM 356 CB SER A 26 -4.795 -5.675 -12.373 1.00 0.00 C ATOM 357 OG SER A 26 -4.018 -4.543 -12.724 1.00 0.00 O ATOM 0 H SER A 26 -3.567 -7.738 -11.233 1.00 0.00 H new ATOM 0 HA SER A 26 -4.467 -5.064 -10.339 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.473 -6.537 -12.957 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.841 -5.494 -12.622 1.00 0.00 H new ATOM 0 HG SER A 26 -4.115 -4.364 -13.683 1.00 0.00 H new ATOM 363 N ARG A 27 -7.038 -5.784 -10.408 1.00 0.00 N ATOM 364 CA ARG A 27 -8.345 -6.228 -9.941 1.00 0.00 C ATOM 365 C ARG A 27 -8.716 -7.573 -10.559 1.00 0.00 C ATOM 366 O ARG A 27 -9.318 -8.425 -9.904 1.00 0.00 O ATOM 367 CB ARG A 27 -9.413 -5.186 -10.283 1.00 0.00 C ATOM 368 CG ARG A 27 -9.427 -4.788 -11.749 1.00 0.00 C ATOM 369 CD ARG A 27 -10.643 -3.938 -12.084 1.00 0.00 C ATOM 370 NE ARG A 27 -10.717 -3.624 -13.508 1.00 0.00 N ATOM 371 CZ ARG A 27 -11.846 -3.312 -14.134 1.00 0.00 C ATOM 372 NH1 ARG A 27 -12.989 -3.271 -13.465 1.00 0.00 N ATOM 373 NH2 ARG A 27 -11.832 -3.039 -15.433 1.00 0.00 N ATOM 0 H ARG A 27 -7.020 -4.829 -10.765 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.295 -6.347 -8.859 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.393 -5.580 -10.013 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -9.248 -4.296 -9.675 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.518 -4.234 -11.986 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -9.425 -5.684 -12.370 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -11.548 -4.465 -11.782 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -10.607 -3.012 -11.510 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.854 -3.645 -14.052 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -13.003 -3.479 -12.467 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -13.855 -3.031 -13.948 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.954 -3.069 -15.951 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.699 -2.799 -15.913 1.00 0.00 H new ATOM 387 N THR A 28 -8.352 -7.758 -11.824 1.00 0.00 N ATOM 388 CA THR A 28 -8.648 -8.998 -12.531 1.00 0.00 C ATOM 389 C THR A 28 -8.048 -10.199 -11.808 1.00 0.00 C ATOM 390 O THR A 28 -8.544 -11.318 -11.928 1.00 0.00 O ATOM 391 CB THR A 28 -8.113 -8.962 -13.975 1.00 0.00 C ATOM 392 OG1 THR A 28 -8.430 -10.187 -14.645 1.00 0.00 O ATOM 393 CG2 THR A 28 -6.607 -8.746 -13.989 1.00 0.00 C ATOM 0 H THR A 28 -7.852 -7.065 -12.380 1.00 0.00 H new ATOM 0 HA THR A 28 -9.733 -9.097 -12.556 1.00 0.00 H new ATOM 0 HB THR A 28 -8.588 -8.130 -14.495 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.088 -10.156 -15.563 1.00 0.00 H new ATOM 0 HG21 THR A 28 -6.252 -8.724 -15.019 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.371 -7.799 -13.504 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.118 -9.560 -13.454 1.00 0.00 H new ATOM 401 N ALA A 29 -6.978 -9.958 -11.058 1.00 0.00 N ATOM 402 CA ALA A 29 -6.312 -11.020 -10.313 1.00 0.00 C ATOM 403 C ALA A 29 -7.164 -11.481 -9.135 1.00 0.00 C ATOM 404 O ALA A 29 -7.707 -10.664 -8.392 1.00 0.00 O ATOM 405 CB ALA A 29 -4.948 -10.550 -9.830 1.00 0.00 C ATOM 0 H ALA A 29 -6.554 -9.037 -10.950 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.175 -11.869 -10.982 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.462 -11.353 -9.275 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.333 -10.277 -10.687 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.071 -9.683 -9.181 1.00 0.00 H new ATOM 411 N SER A 30 -7.276 -12.796 -8.971 1.00 0.00 N ATOM 412 CA SER A 30 -8.065 -13.366 -7.886 1.00 0.00 C ATOM 413 C SER A 30 -7.191 -14.210 -6.963 1.00 0.00 C ATOM 414 O SER A 30 -6.010 -14.425 -7.237 1.00 0.00 O ATOM 415 CB SER A 30 -9.204 -14.218 -8.448 1.00 0.00 C ATOM 416 OG SER A 30 -10.277 -13.407 -8.893 1.00 0.00 O ATOM 0 H SER A 30 -6.830 -13.486 -9.576 1.00 0.00 H new ATOM 0 HA SER A 30 -8.487 -12.545 -7.307 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.835 -14.824 -9.275 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.559 -14.907 -7.682 1.00 0.00 H new ATOM 0 HG SER A 30 -10.991 -13.976 -9.249 1.00 0.00 H new ATOM 422 N GLN A 31 -7.780 -14.683 -5.870 1.00 0.00 N ATOM 423 CA GLN A 31 -7.055 -15.503 -4.906 1.00 0.00 C ATOM 424 C GLN A 31 -6.094 -16.453 -5.614 1.00 0.00 C ATOM 425 O GLN A 31 -5.049 -16.811 -5.072 1.00 0.00 O ATOM 426 CB GLN A 31 -8.035 -16.299 -4.042 1.00 0.00 C ATOM 427 CG GLN A 31 -8.824 -15.438 -3.068 1.00 0.00 C ATOM 428 CD GLN A 31 -8.130 -15.287 -1.729 1.00 0.00 C ATOM 429 OE1 GLN A 31 -8.563 -15.854 -0.725 1.00 0.00 O ATOM 430 NE2 GLN A 31 -7.046 -14.520 -1.706 1.00 0.00 N ATOM 0 H GLN A 31 -8.757 -14.513 -5.630 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.475 -14.839 -4.265 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.731 -16.830 -4.692 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.483 -17.054 -3.482 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.981 -14.452 -3.505 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.809 -15.879 -2.915 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.722 -14.069 -2.562 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.537 -14.382 -0.833 1.00 0.00 H new ATOM 439 N ALA A 32 -6.457 -16.859 -6.826 1.00 0.00 N ATOM 440 CA ALA A 32 -5.627 -17.767 -7.608 1.00 0.00 C ATOM 441 C ALA A 32 -4.381 -17.060 -8.130 1.00 0.00 C ATOM 442 O ALA A 32 -3.257 -17.441 -7.804 1.00 0.00 O ATOM 443 CB ALA A 32 -6.427 -18.351 -8.763 1.00 0.00 C ATOM 0 H ALA A 32 -7.320 -16.573 -7.288 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.306 -18.579 -6.955 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.795 -19.027 -9.338 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.283 -18.900 -8.372 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.777 -17.545 -9.408 1.00 0.00 H new ATOM 449 N ASP A 33 -4.588 -16.029 -8.942 1.00 0.00 N ATOM 450 CA ASP A 33 -3.481 -15.268 -9.508 1.00 0.00 C ATOM 451 C ASP A 33 -2.597 -14.691 -8.407 1.00 0.00 C ATOM 452 O ASP A 33 -1.375 -14.635 -8.544 1.00 0.00 O ATOM 453 CB ASP A 33 -4.011 -14.141 -10.396 1.00 0.00 C ATOM 454 CG ASP A 33 -2.944 -13.578 -11.316 1.00 0.00 C ATOM 455 OD1 ASP A 33 -1.994 -14.318 -11.645 1.00 0.00 O ATOM 456 OD2 ASP A 33 -3.061 -12.398 -11.706 1.00 0.00 O ATOM 0 H ASP A 33 -5.512 -15.701 -9.223 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.879 -15.946 -10.113 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.842 -14.514 -10.994 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.404 -13.341 -9.768 1.00 0.00 H new ATOM 461 N ILE A 34 -3.224 -14.263 -7.316 1.00 0.00 N ATOM 462 CA ILE A 34 -2.494 -13.691 -6.191 1.00 0.00 C ATOM 463 C ILE A 34 -1.566 -14.722 -5.557 1.00 0.00 C ATOM 464 O ILE A 34 -0.364 -14.492 -5.422 1.00 0.00 O ATOM 465 CB ILE A 34 -3.454 -13.150 -5.115 1.00 0.00 C ATOM 466 CG1 ILE A 34 -4.412 -12.124 -5.724 1.00 0.00 C ATOM 467 CG2 ILE A 34 -2.668 -12.532 -3.968 1.00 0.00 C ATOM 468 CD1 ILE A 34 -5.639 -11.867 -4.879 1.00 0.00 C ATOM 0 H ILE A 34 -4.235 -14.301 -7.187 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.901 -12.866 -6.585 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.042 -13.980 -4.723 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.879 -11.185 -5.872 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.725 -12.471 -6.709 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.360 -12.154 -3.215 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.022 -13.288 -3.521 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.058 -11.711 -4.345 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.272 -11.130 -5.372 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.195 -12.796 -4.752 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.336 -11.490 -3.902 1.00 0.00 H new ATOM 480 N LYS A 35 -2.132 -15.860 -5.169 1.00 0.00 N ATOM 481 CA LYS A 35 -1.356 -16.929 -4.552 1.00 0.00 C ATOM 482 C LYS A 35 -0.229 -17.385 -5.472 1.00 0.00 C ATOM 483 O LYS A 35 0.853 -17.750 -5.012 1.00 0.00 O ATOM 484 CB LYS A 35 -2.263 -18.115 -4.212 1.00 0.00 C ATOM 485 CG LYS A 35 -1.507 -19.336 -3.718 1.00 0.00 C ATOM 486 CD LYS A 35 -2.235 -20.622 -4.070 1.00 0.00 C ATOM 487 CE LYS A 35 -3.580 -20.713 -3.365 1.00 0.00 C ATOM 488 NZ LYS A 35 -3.439 -21.196 -1.964 1.00 0.00 N ATOM 0 H LYS A 35 -3.126 -16.066 -5.271 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.916 -16.540 -3.634 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.978 -17.808 -3.449 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.838 -18.387 -5.097 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.509 -19.350 -4.157 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.379 -19.273 -2.637 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.384 -20.673 -5.149 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.619 -21.477 -3.793 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.057 -19.733 -3.365 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.235 -21.387 -3.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.377 -21.244 -1.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.007 -22.142 -1.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.835 -20.540 -1.430 1.00 0.00 H new ATOM 502 N LYS A 36 -0.488 -17.360 -6.775 1.00 0.00 N ATOM 503 CA LYS A 36 0.505 -17.768 -7.761 1.00 0.00 C ATOM 504 C LYS A 36 1.570 -16.690 -7.939 1.00 0.00 C ATOM 505 O LYS A 36 2.759 -16.990 -8.042 1.00 0.00 O ATOM 506 CB LYS A 36 -0.169 -18.059 -9.104 1.00 0.00 C ATOM 507 CG LYS A 36 0.736 -17.829 -10.302 1.00 0.00 C ATOM 508 CD LYS A 36 -0.034 -17.920 -11.608 1.00 0.00 C ATOM 509 CE LYS A 36 -0.012 -19.333 -12.171 1.00 0.00 C ATOM 510 NZ LYS A 36 1.158 -19.557 -13.064 1.00 0.00 N ATOM 0 H LYS A 36 -1.378 -17.061 -7.173 1.00 0.00 H new ATOM 0 HA LYS A 36 0.988 -18.676 -7.399 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.512 -19.094 -9.112 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.053 -17.429 -9.201 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.204 -16.848 -10.222 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.539 -18.566 -10.300 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.066 -17.608 -11.446 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.397 -17.231 -12.334 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.015 -20.050 -11.351 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.932 -19.517 -12.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.136 -20.531 -13.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.119 -18.890 -13.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.037 -19.406 -12.529 1.00 0.00 H new ATOM 524 N ALA A 37 1.135 -15.434 -7.972 1.00 0.00 N ATOM 525 CA ALA A 37 2.052 -14.313 -8.133 1.00 0.00 C ATOM 526 C ALA A 37 2.959 -14.166 -6.916 1.00 0.00 C ATOM 527 O ALA A 37 4.144 -13.855 -7.047 1.00 0.00 O ATOM 528 CB ALA A 37 1.275 -13.026 -8.372 1.00 0.00 C ATOM 0 H ALA A 37 0.154 -15.168 -7.889 1.00 0.00 H new ATOM 0 HA ALA A 37 2.681 -14.512 -9.001 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.972 -12.197 -8.491 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.674 -13.126 -9.276 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.622 -12.832 -7.521 1.00 0.00 H new ATOM 534 N TYR A 38 2.397 -14.390 -5.734 1.00 0.00 N ATOM 535 CA TYR A 38 3.155 -14.280 -4.494 1.00 0.00 C ATOM 536 C TYR A 38 4.344 -15.236 -4.495 1.00 0.00 C ATOM 537 O TYR A 38 5.498 -14.810 -4.530 1.00 0.00 O ATOM 538 CB TYR A 38 2.253 -14.570 -3.293 1.00 0.00 C ATOM 539 CG TYR A 38 2.989 -15.166 -2.113 1.00 0.00 C ATOM 540 CD1 TYR A 38 3.636 -14.353 -1.191 1.00 0.00 C ATOM 541 CD2 TYR A 38 3.036 -16.541 -1.921 1.00 0.00 C ATOM 542 CE1 TYR A 38 4.310 -14.892 -0.112 1.00 0.00 C ATOM 543 CE2 TYR A 38 3.706 -17.089 -0.845 1.00 0.00 C ATOM 544 CZ TYR A 38 4.342 -16.261 0.057 1.00 0.00 C ATOM 545 OH TYR A 38 5.010 -16.802 1.130 1.00 0.00 O ATOM 0 H TYR A 38 1.418 -14.649 -5.608 1.00 0.00 H new ATOM 0 HA TYR A 38 3.533 -13.260 -4.418 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.770 -13.644 -2.980 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.462 -15.254 -3.600 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.612 -13.281 -1.320 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.540 -17.193 -2.625 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.809 -14.246 0.595 1.00 0.00 H new ATOM 0 HE2 TYR A 38 3.732 -18.160 -0.710 1.00 0.00 H new ATOM 0 HH TYR A 38 4.935 -17.779 1.103 1.00 0.00 H new ATOM 555 N LYS A 39 4.052 -16.531 -4.456 1.00 0.00 N ATOM 556 CA LYS A 39 5.095 -17.551 -4.454 1.00 0.00 C ATOM 557 C LYS A 39 6.246 -17.153 -5.371 1.00 0.00 C ATOM 558 O LYS A 39 7.389 -17.024 -4.930 1.00 0.00 O ATOM 559 CB LYS A 39 4.519 -18.899 -4.896 1.00 0.00 C ATOM 560 CG LYS A 39 3.895 -19.694 -3.762 1.00 0.00 C ATOM 561 CD LYS A 39 3.206 -20.948 -4.275 1.00 0.00 C ATOM 562 CE LYS A 39 3.178 -22.040 -3.217 1.00 0.00 C ATOM 563 NZ LYS A 39 2.303 -23.177 -3.616 1.00 0.00 N ATOM 0 H LYS A 39 3.102 -16.900 -4.425 1.00 0.00 H new ATOM 0 HA LYS A 39 5.478 -17.642 -3.438 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.767 -18.728 -5.666 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.312 -19.492 -5.351 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.666 -19.970 -3.042 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.173 -19.071 -3.234 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.187 -20.707 -4.578 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.724 -21.312 -5.162 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.191 -22.404 -3.044 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.824 -21.623 -2.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.311 -23.900 -2.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.331 -22.835 -3.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.655 -23.592 -4.502 1.00 0.00 H new ATOM 577 N LYS A 40 5.939 -16.957 -6.649 1.00 0.00 N ATOM 578 CA LYS A 40 6.947 -16.571 -7.629 1.00 0.00 C ATOM 579 C LYS A 40 7.839 -15.460 -7.083 1.00 0.00 C ATOM 580 O LYS A 40 9.053 -15.627 -6.961 1.00 0.00 O ATOM 581 CB LYS A 40 6.278 -16.111 -8.926 1.00 0.00 C ATOM 582 CG LYS A 40 6.046 -17.234 -9.922 1.00 0.00 C ATOM 583 CD LYS A 40 5.058 -18.258 -9.388 1.00 0.00 C ATOM 584 CE LYS A 40 5.236 -19.609 -10.063 1.00 0.00 C ATOM 585 NZ LYS A 40 4.293 -20.627 -9.523 1.00 0.00 N ATOM 0 H LYS A 40 4.999 -17.059 -7.030 1.00 0.00 H new ATOM 0 HA LYS A 40 7.568 -17.443 -7.837 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.322 -15.646 -8.687 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.897 -15.345 -9.393 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.672 -16.820 -10.858 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.993 -17.724 -10.147 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.192 -18.367 -8.312 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.041 -17.901 -9.548 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.079 -19.502 -11.136 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.261 -19.953 -9.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.446 -21.534 -10.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.459 -20.748 -8.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.314 -20.311 -9.679 1.00 0.00 H new ATOM 599 N LEU A 41 7.229 -14.327 -6.754 1.00 0.00 N ATOM 600 CA LEU A 41 7.967 -13.188 -6.218 1.00 0.00 C ATOM 601 C LEU A 41 8.921 -13.629 -5.113 1.00 0.00 C ATOM 602 O LEU A 41 10.116 -13.337 -5.157 1.00 0.00 O ATOM 603 CB LEU A 41 6.998 -12.133 -5.682 1.00 0.00 C ATOM 604 CG LEU A 41 6.519 -11.087 -6.689 1.00 0.00 C ATOM 605 CD1 LEU A 41 5.170 -10.523 -6.272 1.00 0.00 C ATOM 606 CD2 LEU A 41 7.545 -9.972 -6.828 1.00 0.00 C ATOM 0 H LEU A 41 6.225 -14.172 -6.849 1.00 0.00 H new ATOM 0 HA LEU A 41 8.554 -12.754 -7.027 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.125 -12.644 -5.276 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.479 -11.615 -4.852 1.00 0.00 H new ATOM 0 HG LEU A 41 6.403 -11.571 -7.659 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.845 -9.780 -7.001 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.438 -11.329 -6.224 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.259 -10.055 -5.292 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.188 -9.236 -7.549 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.693 -9.491 -5.861 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.491 -10.389 -7.174 1.00 0.00 H new ATOM 618 N ALA A 42 8.385 -14.334 -4.122 1.00 0.00 N ATOM 619 CA ALA A 42 9.189 -14.818 -3.007 1.00 0.00 C ATOM 620 C ALA A 42 10.379 -15.633 -3.502 1.00 0.00 C ATOM 621 O ALA A 42 11.462 -15.585 -2.918 1.00 0.00 O ATOM 622 CB ALA A 42 8.334 -15.650 -2.062 1.00 0.00 C ATOM 0 H ALA A 42 7.397 -14.583 -4.069 1.00 0.00 H new ATOM 0 HA ALA A 42 9.573 -13.953 -2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.947 -16.005 -1.234 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.520 -15.038 -1.674 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.922 -16.504 -2.600 1.00 0.00 H new ATOM 628 N ARG A 43 10.171 -16.381 -4.580 1.00 0.00 N ATOM 629 CA ARG A 43 11.227 -17.208 -5.152 1.00 0.00 C ATOM 630 C ARG A 43 12.335 -16.343 -5.744 1.00 0.00 C ATOM 631 O ARG A 43 13.518 -16.643 -5.593 1.00 0.00 O ATOM 632 CB ARG A 43 10.654 -18.131 -6.229 1.00 0.00 C ATOM 633 CG ARG A 43 9.534 -19.029 -5.730 1.00 0.00 C ATOM 634 CD ARG A 43 10.072 -20.353 -5.209 1.00 0.00 C ATOM 635 NE ARG A 43 9.235 -20.904 -4.146 1.00 0.00 N ATOM 636 CZ ARG A 43 9.670 -21.779 -3.247 1.00 0.00 C ATOM 637 NH1 ARG A 43 10.927 -22.200 -3.282 1.00 0.00 N ATOM 638 NH2 ARG A 43 8.848 -22.234 -2.310 1.00 0.00 N ATOM 0 H ARG A 43 9.281 -16.432 -5.075 1.00 0.00 H new ATOM 0 HA ARG A 43 11.652 -17.815 -4.352 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.281 -17.524 -7.054 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.456 -18.752 -6.627 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.985 -18.521 -4.937 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.827 -19.215 -6.539 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.133 -21.068 -6.030 1.00 0.00 H new ATOM 0 HD3 ARG A 43 11.086 -20.210 -4.835 1.00 0.00 H new ATOM 0 HE ARG A 43 8.263 -20.600 -4.091 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.562 -21.852 -4.000 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.259 -22.872 -2.590 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.881 -21.912 -2.280 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.183 -22.906 -1.620 1.00 0.00 H new ATOM 652 N GLU A 44 11.941 -15.267 -6.420 1.00 0.00 N ATOM 653 CA GLU A 44 12.901 -14.360 -7.036 1.00 0.00 C ATOM 654 C GLU A 44 13.597 -13.505 -5.981 1.00 0.00 C ATOM 655 O GLU A 44 14.825 -13.492 -5.889 1.00 0.00 O ATOM 656 CB GLU A 44 12.203 -13.459 -8.058 1.00 0.00 C ATOM 657 CG GLU A 44 12.174 -14.040 -9.462 1.00 0.00 C ATOM 658 CD GLU A 44 11.617 -13.068 -10.483 1.00 0.00 C ATOM 659 OE1 GLU A 44 10.705 -12.291 -10.127 1.00 0.00 O ATOM 660 OE2 GLU A 44 12.091 -13.084 -11.638 1.00 0.00 O ATOM 0 H GLU A 44 10.965 -15.003 -6.554 1.00 0.00 H new ATOM 0 HA GLU A 44 13.653 -14.961 -7.546 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.180 -13.275 -7.729 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.708 -12.494 -8.084 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.184 -14.328 -9.753 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.571 -14.948 -9.463 1.00 0.00 H new ATOM 667 N TRP A 45 12.804 -12.794 -5.188 1.00 0.00 N ATOM 668 CA TRP A 45 13.344 -11.935 -4.139 1.00 0.00 C ATOM 669 C TRP A 45 13.778 -12.759 -2.932 1.00 0.00 C ATOM 670 O TRP A 45 14.118 -12.210 -1.883 1.00 0.00 O ATOM 671 CB TRP A 45 12.303 -10.897 -3.716 1.00 0.00 C ATOM 672 CG TRP A 45 11.867 -10.002 -4.836 1.00 0.00 C ATOM 673 CD1 TRP A 45 10.840 -10.222 -5.709 1.00 0.00 C ATOM 674 CD2 TRP A 45 12.447 -8.746 -5.204 1.00 0.00 C ATOM 675 NE1 TRP A 45 10.747 -9.179 -6.598 1.00 0.00 N ATOM 676 CE2 TRP A 45 11.721 -8.260 -6.309 1.00 0.00 C ATOM 677 CE3 TRP A 45 13.508 -7.984 -4.707 1.00 0.00 C ATOM 678 CZ2 TRP A 45 12.024 -7.048 -6.923 1.00 0.00 C ATOM 679 CZ3 TRP A 45 13.808 -6.781 -5.319 1.00 0.00 C ATOM 680 CH2 TRP A 45 13.068 -6.322 -6.416 1.00 0.00 C ATOM 0 H TRP A 45 11.786 -12.795 -5.251 1.00 0.00 H new ATOM 0 HA TRP A 45 14.218 -11.421 -4.538 1.00 0.00 H new ATOM 0 HB2 TRP A 45 11.431 -11.411 -3.311 1.00 0.00 H new ATOM 0 HB3 TRP A 45 12.715 -10.287 -2.912 1.00 0.00 H new ATOM 0 HD1 TRP A 45 10.196 -11.089 -5.701 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.064 -9.101 -7.351 1.00 0.00 H new ATOM 0 HE3 TRP A 45 14.083 -8.329 -3.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 11.455 -6.693 -7.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 14.627 -6.185 -4.945 1.00 0.00 H new ATOM 0 HH2 TRP A 45 13.326 -5.377 -6.871 1.00 0.00 H new ATOM 691 N HIS A 46 13.766 -14.079 -3.086 1.00 0.00 N ATOM 692 CA HIS A 46 14.161 -14.979 -2.008 1.00 0.00 C ATOM 693 C HIS A 46 15.545 -14.618 -1.478 1.00 0.00 C ATOM 694 O HIS A 46 16.492 -14.410 -2.238 1.00 0.00 O ATOM 695 CB HIS A 46 14.149 -16.428 -2.494 1.00 0.00 C ATOM 696 CG HIS A 46 13.838 -17.420 -1.416 1.00 0.00 C ATOM 697 ND1 HIS A 46 14.562 -18.578 -1.226 1.00 0.00 N ATOM 698 CD2 HIS A 46 12.875 -17.420 -0.465 1.00 0.00 C ATOM 699 CE1 HIS A 46 14.056 -19.249 -0.207 1.00 0.00 C ATOM 700 NE2 HIS A 46 13.032 -18.567 0.273 1.00 0.00 N ATOM 0 H HIS A 46 13.487 -14.549 -3.947 1.00 0.00 H new ATOM 0 HA HIS A 46 13.442 -14.871 -1.196 1.00 0.00 H new ATOM 0 HB2 HIS A 46 13.413 -16.529 -3.292 1.00 0.00 H new ATOM 0 HB3 HIS A 46 15.121 -16.666 -2.925 1.00 0.00 H new ATOM 0 HD2 HIS A 46 12.123 -16.659 -0.315 1.00 0.00 H new ATOM 0 HE1 HIS A 46 14.418 -20.194 0.170 1.00 0.00 H new ATOM 0 HE2 HIS A 46 12.452 -18.847 1.064 1.00 0.00 H new ATOM 708 N PRO A 47 15.668 -14.541 -0.145 1.00 0.00 N ATOM 709 CA PRO A 47 16.933 -14.205 0.515 1.00 0.00 C ATOM 710 C PRO A 47 17.968 -15.317 0.386 1.00 0.00 C ATOM 711 O PRO A 47 19.169 -15.056 0.311 1.00 0.00 O ATOM 712 CB PRO A 47 16.530 -14.018 1.980 1.00 0.00 C ATOM 713 CG PRO A 47 15.298 -14.839 2.142 1.00 0.00 C ATOM 714 CD PRO A 47 14.582 -14.777 0.821 1.00 0.00 C ATOM 0 HA PRO A 47 17.403 -13.327 0.072 1.00 0.00 H new ATOM 0 HB2 PRO A 47 17.319 -14.352 2.653 1.00 0.00 H new ATOM 0 HB3 PRO A 47 16.339 -12.969 2.207 1.00 0.00 H new ATOM 0 HG2 PRO A 47 15.546 -15.868 2.403 1.00 0.00 H new ATOM 0 HG3 PRO A 47 14.672 -14.449 2.944 1.00 0.00 H new ATOM 0 HD2 PRO A 47 14.050 -15.704 0.609 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.845 -13.974 0.801 1.00 0.00 H new ATOM 722 N ASP A 48 17.495 -16.559 0.360 1.00 0.00 N ATOM 723 CA ASP A 48 18.380 -17.711 0.238 1.00 0.00 C ATOM 724 C ASP A 48 19.289 -17.572 -0.979 1.00 0.00 C ATOM 725 O ASP A 48 20.481 -17.875 -0.915 1.00 0.00 O ATOM 726 CB ASP A 48 17.563 -19.000 0.135 1.00 0.00 C ATOM 727 CG ASP A 48 18.375 -20.231 0.486 1.00 0.00 C ATOM 728 OD1 ASP A 48 18.837 -20.327 1.642 1.00 0.00 O ATOM 729 OD2 ASP A 48 18.551 -21.098 -0.396 1.00 0.00 O ATOM 0 H ASP A 48 16.504 -16.793 0.422 1.00 0.00 H new ATOM 0 HA ASP A 48 19.003 -17.755 1.131 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.702 -18.935 0.800 1.00 0.00 H new ATOM 0 HB3 ASP A 48 17.176 -19.101 -0.879 1.00 0.00 H new ATOM 734 N LYS A 49 18.719 -17.112 -2.087 1.00 0.00 N ATOM 735 CA LYS A 49 19.477 -16.932 -3.320 1.00 0.00 C ATOM 736 C LYS A 49 20.094 -15.539 -3.381 1.00 0.00 C ATOM 737 O LYS A 49 21.151 -15.343 -3.979 1.00 0.00 O ATOM 738 CB LYS A 49 18.573 -17.155 -4.535 1.00 0.00 C ATOM 739 CG LYS A 49 19.264 -16.892 -5.862 1.00 0.00 C ATOM 740 CD LYS A 49 19.947 -18.142 -6.392 1.00 0.00 C ATOM 741 CE LYS A 49 18.940 -19.125 -6.971 1.00 0.00 C ATOM 742 NZ LYS A 49 18.479 -18.713 -8.325 1.00 0.00 N ATOM 0 H LYS A 49 17.734 -16.857 -2.157 1.00 0.00 H new ATOM 0 HA LYS A 49 20.282 -17.667 -3.333 1.00 0.00 H new ATOM 0 HB2 LYS A 49 18.208 -18.182 -4.522 1.00 0.00 H new ATOM 0 HB3 LYS A 49 17.702 -16.505 -4.453 1.00 0.00 H new ATOM 0 HG2 LYS A 49 18.534 -16.539 -6.590 1.00 0.00 H new ATOM 0 HG3 LYS A 49 20.001 -16.098 -5.739 1.00 0.00 H new ATOM 0 HD2 LYS A 49 20.670 -17.865 -7.160 1.00 0.00 H new ATOM 0 HD3 LYS A 49 20.505 -18.622 -5.588 1.00 0.00 H new ATOM 0 HE2 LYS A 49 19.391 -20.116 -7.027 1.00 0.00 H new ATOM 0 HE3 LYS A 49 18.082 -19.202 -6.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 17.833 -19.434 -8.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 17.981 -17.802 -8.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 19.300 -18.615 -8.956 1.00 0.00 H new ATOM 756 N ASN A 50 19.428 -14.574 -2.755 1.00 0.00 N ATOM 757 CA ASN A 50 19.912 -13.198 -2.738 1.00 0.00 C ATOM 758 C ASN A 50 20.988 -13.014 -1.672 1.00 0.00 C ATOM 759 O ASN A 50 20.820 -13.430 -0.526 1.00 0.00 O ATOM 760 CB ASN A 50 18.754 -12.231 -2.482 1.00 0.00 C ATOM 761 CG ASN A 50 18.081 -11.782 -3.765 1.00 0.00 C ATOM 762 OD1 ASN A 50 18.701 -11.757 -4.828 1.00 0.00 O ATOM 763 ND2 ASN A 50 16.806 -11.425 -3.670 1.00 0.00 N ATOM 0 H ASN A 50 18.552 -14.719 -2.253 1.00 0.00 H new ATOM 0 HA ASN A 50 20.349 -12.980 -3.712 1.00 0.00 H new ATOM 0 HB2 ASN A 50 18.018 -12.712 -1.838 1.00 0.00 H new ATOM 0 HB3 ASN A 50 19.125 -11.358 -1.945 1.00 0.00 H new ATOM 0 HD21 ASN A 50 16.300 -11.114 -4.499 1.00 0.00 H new ATOM 0 HD22 ASN A 50 16.332 -11.462 -2.768 1.00 0.00 H new ATOM 770 N LYS A 51 22.094 -12.386 -2.058 1.00 0.00 N ATOM 771 CA LYS A 51 23.198 -12.144 -1.137 1.00 0.00 C ATOM 772 C LYS A 51 23.335 -10.656 -0.831 1.00 0.00 C ATOM 773 O LYS A 51 23.650 -10.270 0.294 1.00 0.00 O ATOM 774 CB LYS A 51 24.506 -12.677 -1.725 1.00 0.00 C ATOM 775 CG LYS A 51 25.746 -12.164 -1.014 1.00 0.00 C ATOM 776 CD LYS A 51 25.838 -12.699 0.405 1.00 0.00 C ATOM 777 CE LYS A 51 26.396 -14.113 0.432 1.00 0.00 C ATOM 778 NZ LYS A 51 27.884 -14.123 0.372 1.00 0.00 N ATOM 0 H LYS A 51 22.249 -12.035 -3.003 1.00 0.00 H new ATOM 0 HA LYS A 51 22.984 -12.670 -0.207 1.00 0.00 H new ATOM 0 HB2 LYS A 51 24.497 -13.766 -1.682 1.00 0.00 H new ATOM 0 HB3 LYS A 51 24.561 -12.400 -2.778 1.00 0.00 H new ATOM 0 HG2 LYS A 51 26.634 -12.458 -1.573 1.00 0.00 H new ATOM 0 HG3 LYS A 51 25.729 -11.074 -0.992 1.00 0.00 H new ATOM 0 HD2 LYS A 51 26.474 -12.044 1.001 1.00 0.00 H new ATOM 0 HD3 LYS A 51 24.849 -12.688 0.864 1.00 0.00 H new ATOM 0 HE2 LYS A 51 26.066 -14.617 1.341 1.00 0.00 H new ATOM 0 HE3 LYS A 51 25.995 -14.678 -0.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 28.226 -15.105 0.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 28.199 -13.665 -0.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 28.268 -13.606 1.189 1.00 0.00 H new ATOM 792 N ASP A 52 23.095 -9.825 -1.840 1.00 0.00 N ATOM 793 CA ASP A 52 23.190 -8.379 -1.678 1.00 0.00 C ATOM 794 C ASP A 52 22.328 -7.905 -0.512 1.00 0.00 C ATOM 795 O ASP A 52 21.248 -8.435 -0.251 1.00 0.00 O ATOM 796 CB ASP A 52 22.762 -7.671 -2.965 1.00 0.00 C ATOM 797 CG ASP A 52 23.916 -7.472 -3.928 1.00 0.00 C ATOM 798 OD1 ASP A 52 25.071 -7.382 -3.460 1.00 0.00 O ATOM 799 OD2 ASP A 52 23.665 -7.407 -5.149 1.00 0.00 O ATOM 0 H ASP A 52 22.833 -10.128 -2.778 1.00 0.00 H new ATOM 0 HA ASP A 52 24.229 -8.130 -1.463 1.00 0.00 H new ATOM 0 HB2 ASP A 52 21.981 -8.253 -3.454 1.00 0.00 H new ATOM 0 HB3 ASP A 52 22.329 -6.702 -2.716 1.00 0.00 H new ATOM 804 N PRO A 53 22.816 -6.884 0.208 1.00 0.00 N ATOM 805 CA PRO A 53 22.107 -6.317 1.359 1.00 0.00 C ATOM 806 C PRO A 53 20.851 -5.555 0.948 1.00 0.00 C ATOM 807 O PRO A 53 20.927 -4.543 0.253 1.00 0.00 O ATOM 808 CB PRO A 53 23.134 -5.362 1.973 1.00 0.00 C ATOM 809 CG PRO A 53 24.032 -4.993 0.843 1.00 0.00 C ATOM 810 CD PRO A 53 24.098 -6.204 -0.046 1.00 0.00 C ATOM 0 HA PRO A 53 21.760 -7.090 2.045 1.00 0.00 H new ATOM 0 HB2 PRO A 53 22.651 -4.482 2.399 1.00 0.00 H new ATOM 0 HB3 PRO A 53 23.689 -5.842 2.779 1.00 0.00 H new ATOM 0 HG2 PRO A 53 23.643 -4.131 0.301 1.00 0.00 H new ATOM 0 HG3 PRO A 53 25.023 -4.720 1.205 1.00 0.00 H new ATOM 0 HD2 PRO A 53 24.205 -5.927 -1.095 1.00 0.00 H new ATOM 0 HD3 PRO A 53 24.947 -6.840 0.204 1.00 0.00 H new ATOM 818 N GLY A 54 19.696 -6.049 1.383 1.00 0.00 N ATOM 819 CA GLY A 54 18.440 -5.402 1.051 1.00 0.00 C ATOM 820 C GLY A 54 17.420 -6.371 0.487 1.00 0.00 C ATOM 821 O GLY A 54 16.247 -6.333 0.858 1.00 0.00 O ATOM 0 H GLY A 54 19.608 -6.886 1.959 1.00 0.00 H new ATOM 0 HA2 GLY A 54 18.032 -4.928 1.944 1.00 0.00 H new ATOM 0 HA3 GLY A 54 18.624 -4.610 0.325 1.00 0.00 H new ATOM 825 N ALA A 55 17.867 -7.240 -0.413 1.00 0.00 N ATOM 826 CA ALA A 55 16.985 -8.224 -1.029 1.00 0.00 C ATOM 827 C ALA A 55 15.964 -8.750 -0.026 1.00 0.00 C ATOM 828 O ALA A 55 14.773 -8.835 -0.326 1.00 0.00 O ATOM 829 CB ALA A 55 17.797 -9.372 -1.610 1.00 0.00 C ATOM 0 H ALA A 55 18.835 -7.283 -0.732 1.00 0.00 H new ATOM 0 HA ALA A 55 16.442 -7.733 -1.837 1.00 0.00 H new ATOM 0 HB1 ALA A 55 17.125 -10.099 -2.066 1.00 0.00 H new ATOM 0 HB2 ALA A 55 18.482 -8.987 -2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 55 18.366 -9.854 -0.815 1.00 0.00 H new ATOM 835 N GLU A 56 16.438 -9.101 1.165 1.00 0.00 N ATOM 836 CA GLU A 56 15.565 -9.621 2.211 1.00 0.00 C ATOM 837 C GLU A 56 14.426 -8.647 2.503 1.00 0.00 C ATOM 838 O GLU A 56 13.260 -9.038 2.558 1.00 0.00 O ATOM 839 CB GLU A 56 16.365 -9.884 3.489 1.00 0.00 C ATOM 840 CG GLU A 56 15.535 -10.479 4.615 1.00 0.00 C ATOM 841 CD GLU A 56 16.205 -10.343 5.968 1.00 0.00 C ATOM 842 OE1 GLU A 56 16.371 -9.198 6.436 1.00 0.00 O ATOM 843 OE2 GLU A 56 16.562 -11.384 6.559 1.00 0.00 O ATOM 0 H GLU A 56 17.421 -9.035 1.430 1.00 0.00 H new ATOM 0 HA GLU A 56 15.137 -10.559 1.859 1.00 0.00 H new ATOM 0 HB2 GLU A 56 17.188 -10.560 3.259 1.00 0.00 H new ATOM 0 HB3 GLU A 56 16.807 -8.948 3.830 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.563 -9.987 4.644 1.00 0.00 H new ATOM 0 HG3 GLU A 56 15.352 -11.534 4.409 1.00 0.00 H new ATOM 850 N ASP A 57 14.774 -7.379 2.689 1.00 0.00 N ATOM 851 CA ASP A 57 13.781 -6.349 2.974 1.00 0.00 C ATOM 852 C ASP A 57 12.568 -6.495 2.061 1.00 0.00 C ATOM 853 O ASP A 57 11.450 -6.712 2.529 1.00 0.00 O ATOM 854 CB ASP A 57 14.396 -4.958 2.806 1.00 0.00 C ATOM 855 CG ASP A 57 13.434 -3.850 3.187 1.00 0.00 C ATOM 856 OD1 ASP A 57 12.209 -4.069 3.090 1.00 0.00 O ATOM 857 OD2 ASP A 57 13.907 -2.763 3.581 1.00 0.00 O ATOM 0 H ASP A 57 15.735 -7.039 2.648 1.00 0.00 H new ATOM 0 HA ASP A 57 13.453 -6.472 4.006 1.00 0.00 H new ATOM 0 HB2 ASP A 57 15.293 -4.884 3.421 1.00 0.00 H new ATOM 0 HB3 ASP A 57 14.708 -4.824 1.770 1.00 0.00 H new ATOM 862 N ARG A 58 12.796 -6.375 0.758 1.00 0.00 N ATOM 863 CA ARG A 58 11.721 -6.491 -0.220 1.00 0.00 C ATOM 864 C ARG A 58 10.917 -7.768 0.006 1.00 0.00 C ATOM 865 O ARG A 58 9.697 -7.725 0.169 1.00 0.00 O ATOM 866 CB ARG A 58 12.291 -6.480 -1.640 1.00 0.00 C ATOM 867 CG ARG A 58 11.237 -6.289 -2.718 1.00 0.00 C ATOM 868 CD ARG A 58 11.009 -4.816 -3.019 1.00 0.00 C ATOM 869 NE ARG A 58 10.145 -4.622 -4.181 1.00 0.00 N ATOM 870 CZ ARG A 58 10.112 -3.501 -4.892 1.00 0.00 C ATOM 871 NH1 ARG A 58 10.890 -2.479 -4.563 1.00 0.00 N ATOM 872 NH2 ARG A 58 9.299 -3.401 -5.937 1.00 0.00 N ATOM 0 H ARG A 58 13.716 -6.197 0.355 1.00 0.00 H new ATOM 0 HA ARG A 58 11.057 -5.636 -0.096 1.00 0.00 H new ATOM 0 HB2 ARG A 58 13.029 -5.682 -1.720 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.816 -7.418 -1.819 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.548 -6.804 -3.627 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.300 -6.745 -2.398 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.562 -4.333 -2.150 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.968 -4.329 -3.195 1.00 0.00 H new ATOM 0 HE ARG A 58 9.534 -5.389 -4.461 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.517 -2.552 -3.761 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.862 -1.619 -5.111 1.00 0.00 H new ATOM 0 HH21 ARG A 58 8.700 -4.185 -6.194 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.274 -2.540 -6.483 1.00 0.00 H new ATOM 886 N PHE A 59 11.607 -8.903 0.014 1.00 0.00 N ATOM 887 CA PHE A 59 10.957 -10.192 0.219 1.00 0.00 C ATOM 888 C PHE A 59 9.919 -10.107 1.335 1.00 0.00 C ATOM 889 O PHE A 59 8.812 -10.630 1.207 1.00 0.00 O ATOM 890 CB PHE A 59 11.996 -11.264 0.555 1.00 0.00 C ATOM 891 CG PHE A 59 11.402 -12.512 1.143 1.00 0.00 C ATOM 892 CD1 PHE A 59 10.863 -13.490 0.323 1.00 0.00 C ATOM 893 CD2 PHE A 59 11.383 -12.706 2.514 1.00 0.00 C ATOM 894 CE1 PHE A 59 10.315 -14.640 0.861 1.00 0.00 C ATOM 895 CE2 PHE A 59 10.837 -13.854 3.057 1.00 0.00 C ATOM 896 CZ PHE A 59 10.302 -14.822 2.230 1.00 0.00 C ATOM 0 H PHE A 59 12.617 -8.957 -0.119 1.00 0.00 H new ATOM 0 HA PHE A 59 10.449 -10.465 -0.706 1.00 0.00 H new ATOM 0 HB2 PHE A 59 12.544 -11.524 -0.351 1.00 0.00 H new ATOM 0 HB3 PHE A 59 12.719 -10.850 1.257 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.871 -13.353 -0.748 1.00 0.00 H new ATOM 0 HD2 PHE A 59 11.799 -11.952 3.166 1.00 0.00 H new ATOM 0 HE1 PHE A 59 9.898 -15.395 0.211 1.00 0.00 H new ATOM 0 HE2 PHE A 59 10.829 -13.994 4.128 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.874 -15.719 2.653 1.00 0.00 H new ATOM 906 N ILE A 60 10.286 -9.445 2.427 1.00 0.00 N ATOM 907 CA ILE A 60 9.388 -9.291 3.564 1.00 0.00 C ATOM 908 C ILE A 60 8.098 -8.589 3.154 1.00 0.00 C ATOM 909 O ILE A 60 7.003 -9.028 3.504 1.00 0.00 O ATOM 910 CB ILE A 60 10.053 -8.495 4.703 1.00 0.00 C ATOM 911 CG1 ILE A 60 11.340 -9.187 5.154 1.00 0.00 C ATOM 912 CG2 ILE A 60 9.091 -8.338 5.871 1.00 0.00 C ATOM 913 CD1 ILE A 60 12.198 -8.334 6.063 1.00 0.00 C ATOM 0 H ILE A 60 11.199 -9.007 2.548 1.00 0.00 H new ATOM 0 HA ILE A 60 9.155 -10.294 3.921 1.00 0.00 H new ATOM 0 HB ILE A 60 10.308 -7.502 4.332 1.00 0.00 H new ATOM 0 HG12 ILE A 60 11.084 -10.111 5.672 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.921 -9.465 4.275 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.575 -7.774 6.668 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.200 -7.806 5.539 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.808 -9.322 6.244 1.00 0.00 H new ATOM 0 HD11 ILE A 60 13.094 -8.888 6.343 1.00 0.00 H new ATOM 0 HD12 ILE A 60 12.485 -7.421 5.541 1.00 0.00 H new ATOM 0 HD13 ILE A 60 11.634 -8.078 6.960 1.00 0.00 H new ATOM 925 N GLN A 61 8.236 -7.497 2.408 1.00 0.00 N ATOM 926 CA GLN A 61 7.080 -6.735 1.949 1.00 0.00 C ATOM 927 C GLN A 61 6.141 -7.612 1.127 1.00 0.00 C ATOM 928 O GLN A 61 4.925 -7.582 1.316 1.00 0.00 O ATOM 929 CB GLN A 61 7.533 -5.533 1.118 1.00 0.00 C ATOM 930 CG GLN A 61 7.767 -4.277 1.941 1.00 0.00 C ATOM 931 CD GLN A 61 8.092 -3.070 1.084 1.00 0.00 C ATOM 932 OE1 GLN A 61 8.783 -3.180 0.072 1.00 0.00 O ATOM 933 NE2 GLN A 61 7.593 -1.907 1.487 1.00 0.00 N ATOM 0 H GLN A 61 9.136 -7.121 2.109 1.00 0.00 H new ATOM 0 HA GLN A 61 6.539 -6.379 2.826 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.453 -5.790 0.594 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.781 -5.324 0.357 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.878 -4.067 2.536 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.585 -4.452 2.640 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.025 -1.861 2.333 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.778 -1.059 0.951 1.00 0.00 H new ATOM 942 N ILE A 62 6.714 -8.390 0.215 1.00 0.00 N ATOM 943 CA ILE A 62 5.927 -9.276 -0.634 1.00 0.00 C ATOM 944 C ILE A 62 4.998 -10.153 0.197 1.00 0.00 C ATOM 945 O ILE A 62 3.788 -10.180 -0.027 1.00 0.00 O ATOM 946 CB ILE A 62 6.831 -10.178 -1.496 1.00 0.00 C ATOM 947 CG1 ILE A 62 7.743 -9.326 -2.381 1.00 0.00 C ATOM 948 CG2 ILE A 62 5.986 -11.116 -2.345 1.00 0.00 C ATOM 949 CD1 ILE A 62 8.986 -10.053 -2.844 1.00 0.00 C ATOM 0 H ILE A 62 7.719 -8.425 0.045 1.00 0.00 H new ATOM 0 HA ILE A 62 5.332 -8.639 -1.288 1.00 0.00 H new ATOM 0 HB ILE A 62 7.456 -10.780 -0.836 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.181 -8.992 -3.253 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.038 -8.432 -1.831 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.638 -11.747 -2.949 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.374 -11.742 -1.696 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.340 -10.531 -2.999 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.585 -9.389 -3.467 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.570 -10.363 -1.978 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.700 -10.932 -3.422 1.00 0.00 H new ATOM 961 N SER A 63 5.572 -10.869 1.159 1.00 0.00 N ATOM 962 CA SER A 63 4.795 -11.749 2.024 1.00 0.00 C ATOM 963 C SER A 63 3.729 -10.963 2.782 1.00 0.00 C ATOM 964 O SER A 63 2.552 -11.326 2.777 1.00 0.00 O ATOM 965 CB SER A 63 5.714 -12.468 3.013 1.00 0.00 C ATOM 966 OG SER A 63 5.129 -13.676 3.468 1.00 0.00 O ATOM 0 H SER A 63 6.572 -10.857 1.359 1.00 0.00 H new ATOM 0 HA SER A 63 4.299 -12.489 1.396 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.671 -12.681 2.536 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.919 -11.817 3.863 1.00 0.00 H new ATOM 0 HG SER A 63 5.737 -14.117 4.097 1.00 0.00 H new ATOM 972 N LYS A 64 4.149 -9.885 3.434 1.00 0.00 N ATOM 973 CA LYS A 64 3.233 -9.045 4.197 1.00 0.00 C ATOM 974 C LYS A 64 2.074 -8.574 3.325 1.00 0.00 C ATOM 975 O LYS A 64 0.930 -8.513 3.776 1.00 0.00 O ATOM 976 CB LYS A 64 3.975 -7.838 4.774 1.00 0.00 C ATOM 977 CG LYS A 64 4.969 -8.199 5.864 1.00 0.00 C ATOM 978 CD LYS A 64 4.280 -8.399 7.203 1.00 0.00 C ATOM 979 CE LYS A 64 5.207 -9.056 8.215 1.00 0.00 C ATOM 980 NZ LYS A 64 4.547 -9.233 9.538 1.00 0.00 N ATOM 0 H LYS A 64 5.120 -9.572 3.450 1.00 0.00 H new ATOM 0 HA LYS A 64 2.830 -9.641 5.016 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.502 -7.327 3.968 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.247 -7.133 5.176 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.499 -9.110 5.587 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.716 -7.410 5.952 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.944 -7.436 7.588 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.392 -9.016 7.068 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.528 -10.026 7.837 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.104 -8.448 8.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.211 -9.684 10.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.263 -8.305 9.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.706 -9.834 9.429 1.00 0.00 H new ATOM 994 N ALA A 65 2.377 -8.242 2.074 1.00 0.00 N ATOM 995 CA ALA A 65 1.359 -7.780 1.138 1.00 0.00 C ATOM 996 C ALA A 65 0.329 -8.870 0.865 1.00 0.00 C ATOM 997 O ALA A 65 -0.875 -8.612 0.858 1.00 0.00 O ATOM 998 CB ALA A 65 2.006 -7.324 -0.161 1.00 0.00 C ATOM 0 H ALA A 65 3.319 -8.284 1.685 1.00 0.00 H new ATOM 0 HA ALA A 65 0.841 -6.934 1.590 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.235 -6.982 -0.851 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.698 -6.507 0.044 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.550 -8.156 -0.608 1.00 0.00 H new ATOM 1004 N TYR A 66 0.809 -10.088 0.639 1.00 0.00 N ATOM 1005 CA TYR A 66 -0.071 -11.217 0.362 1.00 0.00 C ATOM 1006 C TYR A 66 -0.923 -11.556 1.582 1.00 0.00 C ATOM 1007 O TYR A 66 -2.118 -11.820 1.463 1.00 0.00 O ATOM 1008 CB TYR A 66 0.748 -12.438 -0.058 1.00 0.00 C ATOM 1009 CG TYR A 66 -0.096 -13.637 -0.425 1.00 0.00 C ATOM 1010 CD1 TYR A 66 -1.258 -13.490 -1.173 1.00 0.00 C ATOM 1011 CD2 TYR A 66 0.266 -14.917 -0.023 1.00 0.00 C ATOM 1012 CE1 TYR A 66 -2.033 -14.582 -1.511 1.00 0.00 C ATOM 1013 CE2 TYR A 66 -0.502 -16.015 -0.358 1.00 0.00 C ATOM 1014 CZ TYR A 66 -1.651 -15.842 -1.101 1.00 0.00 C ATOM 1015 OH TYR A 66 -2.420 -16.934 -1.435 1.00 0.00 O ATOM 0 H TYR A 66 1.803 -10.319 0.642 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.735 -10.935 -0.455 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.373 -12.170 -0.910 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.419 -12.712 0.756 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.560 -12.505 -1.496 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.163 -15.056 0.562 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.933 -14.450 -2.093 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.205 -17.003 -0.040 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.011 -17.746 -1.070 1.00 0.00 H new ATOM 1025 N GLU A 67 -0.296 -11.546 2.754 1.00 0.00 N ATOM 1026 CA GLU A 67 -0.995 -11.854 3.996 1.00 0.00 C ATOM 1027 C GLU A 67 -2.396 -11.248 3.996 1.00 0.00 C ATOM 1028 O GLU A 67 -3.382 -11.937 4.260 1.00 0.00 O ATOM 1029 CB GLU A 67 -0.202 -11.332 5.196 1.00 0.00 C ATOM 1030 CG GLU A 67 0.970 -12.218 5.583 1.00 0.00 C ATOM 1031 CD GLU A 67 1.547 -11.862 6.939 1.00 0.00 C ATOM 1032 OE1 GLU A 67 0.757 -11.663 7.886 1.00 0.00 O ATOM 1033 OE2 GLU A 67 2.788 -11.782 7.054 1.00 0.00 O ATOM 0 H GLU A 67 0.694 -11.328 2.869 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.086 -12.937 4.073 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.169 -10.332 4.969 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.872 -11.237 6.050 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.646 -13.259 5.592 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.750 -12.133 4.827 1.00 0.00 H new ATOM 1040 N ILE A 68 -2.475 -9.955 3.698 1.00 0.00 N ATOM 1041 CA ILE A 68 -3.754 -9.257 3.663 1.00 0.00 C ATOM 1042 C ILE A 68 -4.777 -10.025 2.833 1.00 0.00 C ATOM 1043 O ILE A 68 -5.874 -10.329 3.305 1.00 0.00 O ATOM 1044 CB ILE A 68 -3.604 -7.837 3.086 1.00 0.00 C ATOM 1045 CG1 ILE A 68 -2.623 -7.021 3.930 1.00 0.00 C ATOM 1046 CG2 ILE A 68 -4.958 -7.146 3.023 1.00 0.00 C ATOM 1047 CD1 ILE A 68 -1.880 -5.966 3.141 1.00 0.00 C ATOM 0 H ILE A 68 -1.669 -9.370 3.478 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.104 -9.187 4.693 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.208 -7.912 2.073 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.168 -6.539 4.742 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.901 -7.697 4.388 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.836 -6.143 2.613 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.630 -7.720 2.385 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.379 -7.079 4.026 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.202 -5.427 3.803 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.307 -6.443 2.346 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.594 -5.267 2.705 1.00 0.00 H new ATOM 1059 N LEU A 69 -4.411 -10.338 1.595 1.00 0.00 N ATOM 1060 CA LEU A 69 -5.297 -11.074 0.698 1.00 0.00 C ATOM 1061 C LEU A 69 -5.416 -12.533 1.127 1.00 0.00 C ATOM 1062 O LEU A 69 -6.498 -13.000 1.480 1.00 0.00 O ATOM 1063 CB LEU A 69 -4.780 -10.993 -0.740 1.00 0.00 C ATOM 1064 CG LEU A 69 -4.342 -9.609 -1.218 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -3.294 -9.730 -2.314 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -5.540 -8.810 -1.710 1.00 0.00 C ATOM 0 H LEU A 69 -3.508 -10.094 1.189 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.286 -10.618 0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.935 -11.674 -0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.562 -11.355 -1.407 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.898 -9.079 -0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.994 -8.735 -2.642 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.424 -10.263 -1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.712 -10.280 -3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.209 -7.827 -2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.013 -9.337 -2.539 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.257 -8.693 -0.898 1.00 0.00 H new ATOM 1078 N SER A 70 -4.295 -13.247 1.095 1.00 0.00 N ATOM 1079 CA SER A 70 -4.274 -14.654 1.478 1.00 0.00 C ATOM 1080 C SER A 70 -5.125 -14.890 2.722 1.00 0.00 C ATOM 1081 O SER A 70 -5.627 -15.991 2.944 1.00 0.00 O ATOM 1082 CB SER A 70 -2.838 -15.113 1.734 1.00 0.00 C ATOM 1083 OG SER A 70 -2.365 -14.638 2.983 1.00 0.00 O ATOM 0 H SER A 70 -3.390 -12.874 0.808 1.00 0.00 H new ATOM 0 HA SER A 70 -4.692 -15.236 0.657 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.792 -16.202 1.715 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.190 -14.752 0.935 1.00 0.00 H new ATOM 0 HG SER A 70 -2.767 -13.765 3.174 1.00 0.00 H new ATOM 1089 N ASN A 71 -5.282 -13.847 3.531 1.00 0.00 N ATOM 1090 CA ASN A 71 -6.071 -13.941 4.754 1.00 0.00 C ATOM 1091 C ASN A 71 -7.532 -13.589 4.487 1.00 0.00 C ATOM 1092 O ASN A 71 -7.831 -12.574 3.858 1.00 0.00 O ATOM 1093 CB ASN A 71 -5.499 -13.012 5.827 1.00 0.00 C ATOM 1094 CG ASN A 71 -6.219 -13.149 7.154 1.00 0.00 C ATOM 1095 OD1 ASN A 71 -6.887 -12.221 7.610 1.00 0.00 O ATOM 1096 ND2 ASN A 71 -6.087 -14.312 7.782 1.00 0.00 N ATOM 0 H ASN A 71 -4.874 -12.928 3.362 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.023 -14.970 5.110 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.440 -13.231 5.967 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.568 -11.980 5.484 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.549 -14.463 8.679 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.523 -15.054 7.368 1.00 0.00 H new ATOM 1103 N GLU A 72 -8.436 -14.435 4.970 1.00 0.00 N ATOM 1104 CA GLU A 72 -9.865 -14.213 4.783 1.00 0.00 C ATOM 1105 C GLU A 72 -10.310 -12.925 5.470 1.00 0.00 C ATOM 1106 O GLU A 72 -10.890 -12.042 4.839 1.00 0.00 O ATOM 1107 CB GLU A 72 -10.664 -15.398 5.330 1.00 0.00 C ATOM 1108 CG GLU A 72 -12.012 -15.587 4.655 1.00 0.00 C ATOM 1109 CD GLU A 72 -12.498 -17.022 4.715 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -13.037 -17.421 5.769 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -12.339 -17.746 3.710 1.00 0.00 O ATOM 0 H GLU A 72 -8.205 -15.280 5.493 1.00 0.00 H new ATOM 0 HA GLU A 72 -10.055 -14.119 3.714 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.076 -16.308 5.210 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.819 -15.258 6.400 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.747 -14.938 5.131 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.939 -15.275 3.613 1.00 0.00 H new ATOM 1118 N GLU A 73 -10.034 -12.827 6.767 1.00 0.00 N ATOM 1119 CA GLU A 73 -10.407 -11.648 7.540 1.00 0.00 C ATOM 1120 C GLU A 73 -9.928 -10.372 6.852 1.00 0.00 C ATOM 1121 O GLU A 73 -10.732 -9.572 6.373 1.00 0.00 O ATOM 1122 CB GLU A 73 -9.822 -11.729 8.951 1.00 0.00 C ATOM 1123 CG GLU A 73 -10.506 -12.759 9.835 1.00 0.00 C ATOM 1124 CD GLU A 73 -12.006 -12.553 9.917 1.00 0.00 C ATOM 1125 OE1 GLU A 73 -12.435 -11.401 10.136 1.00 0.00 O ATOM 1126 OE2 GLU A 73 -12.751 -13.543 9.763 1.00 0.00 O ATOM 0 H GLU A 73 -9.554 -13.549 7.304 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.495 -11.619 7.607 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.761 -11.969 8.882 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.897 -10.750 9.423 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.301 -13.757 9.449 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.081 -12.711 10.838 1.00 0.00 H new ATOM 1133 N LYS A 74 -8.613 -10.190 6.807 1.00 0.00 N ATOM 1134 CA LYS A 74 -8.025 -9.013 6.178 1.00 0.00 C ATOM 1135 C LYS A 74 -8.674 -8.737 4.826 1.00 0.00 C ATOM 1136 O LYS A 74 -9.254 -7.672 4.611 1.00 0.00 O ATOM 1137 CB LYS A 74 -6.517 -9.204 6.001 1.00 0.00 C ATOM 1138 CG LYS A 74 -5.754 -9.266 7.313 1.00 0.00 C ATOM 1139 CD LYS A 74 -4.318 -9.716 7.103 1.00 0.00 C ATOM 1140 CE LYS A 74 -3.722 -10.295 8.377 1.00 0.00 C ATOM 1141 NZ LYS A 74 -2.571 -11.196 8.092 1.00 0.00 N ATOM 0 H LYS A 74 -7.934 -10.842 7.199 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.204 -8.157 6.829 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.339 -10.123 5.443 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.123 -8.384 5.400 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.763 -8.284 7.787 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.256 -9.953 7.994 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.282 -10.464 6.311 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.716 -8.871 6.770 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.395 -9.483 9.027 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.490 -10.847 8.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.431 -11.844 8.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.766 -11.747 7.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.712 -10.627 7.952 1.00 0.00 H new ATOM 1155 N ARG A 75 -8.574 -9.702 3.918 1.00 0.00 N ATOM 1156 CA ARG A 75 -9.152 -9.563 2.587 1.00 0.00 C ATOM 1157 C ARG A 75 -10.626 -9.177 2.672 1.00 0.00 C ATOM 1158 O ARG A 75 -11.127 -8.406 1.853 1.00 0.00 O ATOM 1159 CB ARG A 75 -9.000 -10.867 1.802 1.00 0.00 C ATOM 1160 CG ARG A 75 -9.129 -10.690 0.297 1.00 0.00 C ATOM 1161 CD ARG A 75 -9.694 -11.938 -0.363 1.00 0.00 C ATOM 1162 NE ARG A 75 -11.064 -12.211 0.064 1.00 0.00 N ATOM 1163 CZ ARG A 75 -11.924 -12.936 -0.643 1.00 0.00 C ATOM 1164 NH1 ARG A 75 -11.556 -13.460 -1.804 1.00 0.00 N ATOM 1165 NH2 ARG A 75 -13.153 -13.140 -0.188 1.00 0.00 N ATOM 0 H ARG A 75 -8.098 -10.589 4.080 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.615 -8.770 2.067 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -8.027 -11.305 2.026 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.755 -11.576 2.142 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.776 -9.839 0.084 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.152 -10.462 -0.129 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -9.669 -11.818 -1.446 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -9.062 -12.793 -0.122 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.378 -11.824 0.954 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.611 -13.307 -2.156 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.218 -14.016 -2.345 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.439 -12.740 0.706 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -13.812 -13.697 -0.732 1.00 0.00 H new ATOM 1179 N THR A 76 -11.318 -9.720 3.669 1.00 0.00 N ATOM 1180 CA THR A 76 -12.734 -9.435 3.861 1.00 0.00 C ATOM 1181 C THR A 76 -12.953 -7.982 4.267 1.00 0.00 C ATOM 1182 O THR A 76 -13.816 -7.298 3.719 1.00 0.00 O ATOM 1183 CB THR A 76 -13.352 -10.354 4.932 1.00 0.00 C ATOM 1184 OG1 THR A 76 -13.304 -11.717 4.495 1.00 0.00 O ATOM 1185 CG2 THR A 76 -14.793 -9.959 5.218 1.00 0.00 C ATOM 0 H THR A 76 -10.920 -10.360 4.356 1.00 0.00 H new ATOM 0 HA THR A 76 -13.226 -9.620 2.906 1.00 0.00 H new ATOM 0 HB THR A 76 -12.773 -10.246 5.849 1.00 0.00 H new ATOM 0 HG1 THR A 76 -12.390 -11.941 4.221 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.208 -10.622 5.977 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.824 -8.931 5.578 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.381 -10.041 4.304 1.00 0.00 H new