USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=12 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 26 SER OG : rot -140:sc= 0.982 USER MOD Set 1.2: A 28 THR OG1 : rot -26:sc= 0.787 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.358 X(o=-0.36,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 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -160:sc= -0.0537 (180deg=-0.375) USER MOD Single : A 40 LYS NZ :NH3+ -158:sc= 0.0612 (180deg=-2.11) USER MOD Single : A 46 HIS : no HD1:sc= -4.42! C(o=-4.4!,f=-4.6!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -3.69! C(o=-3.7!,f=-2.8!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0.273 K(o=0.27,f=-0.86) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -65:sc= 0.731 USER MOD Single : A 71 ASN : amide:sc= -1.59 X(o=-1.6,f=-1.3!) USER MOD Single : A 74 LYS NZ :NH3+ 179:sc= -2.99! (180deg=-2.99!) USER MOD Single : A 76 THR OG1 : rot 95:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 191 N ASP A 16 -0.128 2.509 3.861 1.00 0.00 N ATOM 192 CA ASP A 16 1.315 2.422 3.674 1.00 0.00 C ATOM 193 C ASP A 16 1.651 1.887 2.286 1.00 0.00 C ATOM 194 O ASP A 16 2.351 2.539 1.510 1.00 0.00 O ATOM 195 CB ASP A 16 1.936 1.524 4.745 1.00 0.00 C ATOM 196 CG ASP A 16 1.942 2.175 6.114 1.00 0.00 C ATOM 197 OD1 ASP A 16 0.905 2.109 6.807 1.00 0.00 O ATOM 198 OD2 ASP A 16 2.984 2.749 6.494 1.00 0.00 O ATOM 0 HA ASP A 16 1.730 3.425 3.767 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.383 0.586 4.794 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.958 1.276 4.459 1.00 0.00 H new ATOM 203 N PHE A 17 1.149 0.695 1.979 1.00 0.00 N ATOM 204 CA PHE A 17 1.398 0.071 0.685 1.00 0.00 C ATOM 205 C PHE A 17 0.220 -0.805 0.268 1.00 0.00 C ATOM 206 O PHE A 17 -0.441 -1.416 1.108 1.00 0.00 O ATOM 207 CB PHE A 17 2.678 -0.766 0.736 1.00 0.00 C ATOM 208 CG PHE A 17 2.533 -2.034 1.529 1.00 0.00 C ATOM 209 CD1 PHE A 17 1.721 -3.061 1.076 1.00 0.00 C ATOM 210 CD2 PHE A 17 3.210 -2.198 2.727 1.00 0.00 C ATOM 211 CE1 PHE A 17 1.586 -4.228 1.804 1.00 0.00 C ATOM 212 CE2 PHE A 17 3.079 -3.363 3.459 1.00 0.00 C ATOM 213 CZ PHE A 17 2.266 -4.380 2.997 1.00 0.00 C ATOM 0 H PHE A 17 0.567 0.142 2.609 1.00 0.00 H new ATOM 0 HA PHE A 17 1.519 0.862 -0.055 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.981 -1.015 -0.281 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.478 -0.166 1.169 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.188 -2.948 0.144 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.847 -1.406 3.093 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.949 -5.021 1.440 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.612 -3.478 4.391 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.162 -5.291 3.567 1.00 0.00 H new ATOM 223 N ASP A 18 -0.036 -0.860 -1.034 1.00 0.00 N ATOM 224 CA ASP A 18 -1.134 -1.660 -1.564 1.00 0.00 C ATOM 225 C ASP A 18 -0.687 -3.097 -1.815 1.00 0.00 C ATOM 226 O ASP A 18 0.430 -3.356 -2.266 1.00 0.00 O ATOM 227 CB ASP A 18 -1.664 -1.044 -2.860 1.00 0.00 C ATOM 228 CG ASP A 18 -3.142 -1.311 -3.066 1.00 0.00 C ATOM 229 OD1 ASP A 18 -3.958 -0.730 -2.321 1.00 0.00 O ATOM 230 OD2 ASP A 18 -3.482 -2.101 -3.971 1.00 0.00 O ATOM 0 H ASP A 18 0.502 -0.360 -1.742 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.933 -1.671 -0.823 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.491 0.032 -2.845 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.104 -1.445 -3.705 1.00 0.00 H new ATOM 235 N PRO A 19 -1.577 -4.055 -1.517 1.00 0.00 N ATOM 236 CA PRO A 19 -1.296 -5.482 -1.701 1.00 0.00 C ATOM 237 C PRO A 19 -1.222 -5.873 -3.173 1.00 0.00 C ATOM 238 O PRO A 19 -0.508 -6.805 -3.543 1.00 0.00 O ATOM 239 CB PRO A 19 -2.485 -6.168 -1.025 1.00 0.00 C ATOM 240 CG PRO A 19 -3.586 -5.166 -1.086 1.00 0.00 C ATOM 241 CD PRO A 19 -2.926 -3.819 -0.976 1.00 0.00 C ATOM 0 HA PRO A 19 -0.330 -5.764 -1.283 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.758 -7.088 -1.542 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.253 -6.439 0.005 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.142 -5.253 -2.020 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.298 -5.319 -0.275 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.461 -3.061 -1.548 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.890 -3.472 0.057 1.00 0.00 H new ATOM 249 N TYR A 20 -1.964 -5.154 -4.009 1.00 0.00 N ATOM 250 CA TYR A 20 -1.984 -5.427 -5.441 1.00 0.00 C ATOM 251 C TYR A 20 -0.736 -4.869 -6.120 1.00 0.00 C ATOM 252 O TYR A 20 -0.173 -5.494 -7.018 1.00 0.00 O ATOM 253 CB TYR A 20 -3.237 -4.826 -6.079 1.00 0.00 C ATOM 254 CG TYR A 20 -4.434 -5.749 -6.049 1.00 0.00 C ATOM 255 CD1 TYR A 20 -4.819 -6.382 -4.873 1.00 0.00 C ATOM 256 CD2 TYR A 20 -5.180 -5.990 -7.196 1.00 0.00 C ATOM 257 CE1 TYR A 20 -5.911 -7.227 -4.841 1.00 0.00 C ATOM 258 CE2 TYR A 20 -6.274 -6.832 -7.173 1.00 0.00 C ATOM 259 CZ TYR A 20 -6.636 -7.448 -5.993 1.00 0.00 C ATOM 260 OH TYR A 20 -7.725 -8.289 -5.967 1.00 0.00 O ATOM 0 H TYR A 20 -2.559 -4.378 -3.719 1.00 0.00 H new ATOM 0 HA TYR A 20 -1.998 -6.508 -5.578 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.490 -3.900 -5.562 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.017 -4.563 -7.114 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.254 -6.210 -3.969 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.899 -5.510 -8.122 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -6.196 -7.712 -3.919 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -6.843 -7.007 -8.074 1.00 0.00 H new ATOM 0 HH TYR A 20 -8.125 -8.334 -6.861 1.00 0.00 H new ATOM 270 N ARG A 21 -0.311 -3.688 -5.682 1.00 0.00 N ATOM 271 CA ARG A 21 0.869 -3.044 -6.247 1.00 0.00 C ATOM 272 C ARG A 21 2.131 -3.833 -5.911 1.00 0.00 C ATOM 273 O ARG A 21 2.973 -4.075 -6.776 1.00 0.00 O ATOM 274 CB ARG A 21 0.994 -1.613 -5.723 1.00 0.00 C ATOM 275 CG ARG A 21 0.063 -0.628 -6.411 1.00 0.00 C ATOM 276 CD ARG A 21 0.630 -0.163 -7.743 1.00 0.00 C ATOM 277 NE ARG A 21 0.089 1.132 -8.146 1.00 0.00 N ATOM 278 CZ ARG A 21 0.381 2.274 -7.533 1.00 0.00 C ATOM 279 NH1 ARG A 21 1.206 2.281 -6.495 1.00 0.00 N ATOM 280 NH2 ARG A 21 -0.151 3.412 -7.959 1.00 0.00 N ATOM 0 H ARG A 21 -0.766 -3.158 -4.938 1.00 0.00 H new ATOM 0 HA ARG A 21 0.755 -3.018 -7.331 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.788 -1.608 -4.653 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.023 -1.277 -5.851 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.909 -1.095 -6.571 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.100 0.233 -5.763 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.716 -0.096 -7.671 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.407 -0.904 -8.511 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.548 1.162 -8.942 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.618 1.408 -6.165 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.428 3.159 -6.026 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.785 3.411 -8.758 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.074 4.288 -7.488 1.00 0.00 H new ATOM 294 N VAL A 22 2.257 -4.230 -4.649 1.00 0.00 N ATOM 295 CA VAL A 22 3.416 -4.992 -4.199 1.00 0.00 C ATOM 296 C VAL A 22 3.523 -6.319 -4.941 1.00 0.00 C ATOM 297 O VAL A 22 4.529 -6.598 -5.595 1.00 0.00 O ATOM 298 CB VAL A 22 3.353 -5.266 -2.685 1.00 0.00 C ATOM 299 CG1 VAL A 22 4.492 -6.181 -2.260 1.00 0.00 C ATOM 300 CG2 VAL A 22 3.389 -3.960 -1.905 1.00 0.00 C ATOM 0 H VAL A 22 1.571 -4.037 -3.920 1.00 0.00 H new ATOM 0 HA VAL A 22 4.297 -4.387 -4.415 1.00 0.00 H new ATOM 0 HB VAL A 22 2.412 -5.769 -2.464 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.431 -6.363 -1.187 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.416 -7.128 -2.794 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.446 -5.708 -2.494 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.344 -4.173 -0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.313 -3.427 -2.130 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.536 -3.343 -2.189 1.00 0.00 H new ATOM 310 N LEU A 23 2.481 -7.135 -4.836 1.00 0.00 N ATOM 311 CA LEU A 23 2.457 -8.435 -5.498 1.00 0.00 C ATOM 312 C LEU A 23 2.521 -8.275 -7.013 1.00 0.00 C ATOM 313 O LEU A 23 3.170 -9.060 -7.703 1.00 0.00 O ATOM 314 CB LEU A 23 1.194 -9.205 -5.107 1.00 0.00 C ATOM 315 CG LEU A 23 1.143 -9.727 -3.671 1.00 0.00 C ATOM 316 CD1 LEU A 23 -0.129 -10.527 -3.439 1.00 0.00 C ATOM 317 CD2 LEU A 23 2.371 -10.573 -3.367 1.00 0.00 C ATOM 0 H LEU A 23 1.641 -6.920 -4.299 1.00 0.00 H new ATOM 0 HA LEU A 23 3.333 -8.997 -5.173 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.333 -8.556 -5.267 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.085 -10.052 -5.784 1.00 0.00 H new ATOM 0 HG LEU A 23 1.139 -8.873 -2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.148 -10.891 -2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.996 -9.891 -3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.156 -11.374 -4.124 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.318 -10.936 -2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.407 -11.421 -4.051 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.269 -9.968 -3.492 1.00 0.00 H new ATOM 329 N GLY A 24 1.843 -7.252 -7.525 1.00 0.00 N ATOM 330 CA GLY A 24 1.838 -7.006 -8.955 1.00 0.00 C ATOM 331 C GLY A 24 0.664 -7.665 -9.652 1.00 0.00 C ATOM 332 O GLY A 24 0.821 -8.268 -10.714 1.00 0.00 O ATOM 0 H GLY A 24 1.297 -6.589 -6.974 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.807 -5.932 -9.136 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.768 -7.376 -9.388 1.00 0.00 H new ATOM 336 N VAL A 25 -0.518 -7.551 -9.053 1.00 0.00 N ATOM 337 CA VAL A 25 -1.724 -8.140 -9.622 1.00 0.00 C ATOM 338 C VAL A 25 -2.706 -7.062 -10.066 1.00 0.00 C ATOM 339 O VAL A 25 -2.671 -5.935 -9.572 1.00 0.00 O ATOM 340 CB VAL A 25 -2.423 -9.072 -8.615 1.00 0.00 C ATOM 341 CG1 VAL A 25 -1.806 -10.462 -8.656 1.00 0.00 C ATOM 342 CG2 VAL A 25 -2.350 -8.489 -7.211 1.00 0.00 C ATOM 0 H VAL A 25 -0.665 -7.056 -8.174 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.412 -8.723 -10.489 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.473 -9.158 -8.895 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.313 -11.106 -7.938 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.915 -10.879 -9.657 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.748 -10.398 -8.402 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.849 -9.160 -6.512 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.306 -8.372 -6.920 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.843 -7.517 -7.195 1.00 0.00 H new ATOM 352 N SER A 26 -3.581 -7.415 -11.002 1.00 0.00 N ATOM 353 CA SER A 26 -4.571 -6.476 -11.516 1.00 0.00 C ATOM 354 C SER A 26 -5.925 -6.694 -10.847 1.00 0.00 C ATOM 355 O SER A 26 -6.097 -7.624 -10.058 1.00 0.00 O ATOM 356 CB SER A 26 -4.709 -6.627 -13.032 1.00 0.00 C ATOM 357 OG SER A 26 -5.722 -7.561 -13.362 1.00 0.00 O ATOM 0 H SER A 26 -3.624 -8.344 -11.420 1.00 0.00 H new ATOM 0 HA SER A 26 -4.230 -5.466 -11.288 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.943 -5.660 -13.477 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.759 -6.952 -13.456 1.00 0.00 H new ATOM 0 HG SER A 26 -5.428 -8.108 -14.120 1.00 0.00 H new ATOM 363 N ARG A 27 -6.882 -5.829 -11.166 1.00 0.00 N ATOM 364 CA ARG A 27 -8.220 -5.925 -10.596 1.00 0.00 C ATOM 365 C ARG A 27 -8.889 -7.237 -10.995 1.00 0.00 C ATOM 366 O ARG A 27 -9.723 -7.770 -10.263 1.00 0.00 O ATOM 367 CB ARG A 27 -9.078 -4.744 -11.052 1.00 0.00 C ATOM 368 CG ARG A 27 -9.109 -4.560 -12.560 1.00 0.00 C ATOM 369 CD ARG A 27 -9.301 -3.100 -12.940 1.00 0.00 C ATOM 370 NE ARG A 27 -9.482 -2.928 -14.379 1.00 0.00 N ATOM 371 CZ ARG A 27 -10.626 -3.169 -15.010 1.00 0.00 C ATOM 372 NH1 ARG A 27 -11.685 -3.590 -14.332 1.00 0.00 N ATOM 373 NH2 ARG A 27 -10.712 -2.989 -16.322 1.00 0.00 N ATOM 0 H ARG A 27 -6.755 -5.054 -11.816 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.127 -5.900 -9.510 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.097 -4.885 -10.691 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.700 -3.832 -10.591 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.179 -4.930 -12.992 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -9.917 -5.157 -12.984 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -10.169 -2.700 -12.415 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.436 -2.523 -12.612 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.686 -2.605 -14.930 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -11.622 -3.730 -13.324 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.562 -3.774 -14.819 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.899 -2.665 -16.847 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.591 -3.174 -16.806 1.00 0.00 H new ATOM 387 N THR A 28 -8.517 -7.754 -12.162 1.00 0.00 N ATOM 388 CA THR A 28 -9.081 -9.002 -12.660 1.00 0.00 C ATOM 389 C THR A 28 -8.370 -10.207 -12.055 1.00 0.00 C ATOM 390 O THR A 28 -8.846 -11.337 -12.159 1.00 0.00 O ATOM 391 CB THR A 28 -8.992 -9.085 -14.196 1.00 0.00 C ATOM 392 OG1 THR A 28 -7.623 -9.028 -14.611 1.00 0.00 O ATOM 393 CG2 THR A 28 -9.772 -7.953 -14.846 1.00 0.00 C ATOM 0 H THR A 28 -7.827 -7.327 -12.780 1.00 0.00 H new ATOM 0 HA THR A 28 -10.130 -9.016 -12.363 1.00 0.00 H new ATOM 0 HB THR A 28 -9.428 -10.033 -14.512 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.096 -8.554 -13.935 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.694 -8.033 -15.930 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.820 -8.017 -14.552 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.362 -6.996 -14.523 1.00 0.00 H new ATOM 401 N ALA A 29 -7.228 -9.958 -11.422 1.00 0.00 N ATOM 402 CA ALA A 29 -6.453 -11.023 -10.798 1.00 0.00 C ATOM 403 C ALA A 29 -7.165 -11.569 -9.565 1.00 0.00 C ATOM 404 O ALA A 29 -7.417 -10.838 -8.607 1.00 0.00 O ATOM 405 CB ALA A 29 -5.065 -10.519 -10.429 1.00 0.00 C ATOM 0 H ALA A 29 -6.819 -9.028 -11.328 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.353 -11.836 -11.517 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.497 -11.325 -9.964 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.549 -10.183 -11.328 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.154 -9.687 -9.730 1.00 0.00 H new ATOM 411 N SER A 30 -7.486 -12.859 -9.595 1.00 0.00 N ATOM 412 CA SER A 30 -8.173 -13.502 -8.481 1.00 0.00 C ATOM 413 C SER A 30 -7.195 -14.308 -7.632 1.00 0.00 C ATOM 414 O SER A 30 -6.038 -14.495 -8.009 1.00 0.00 O ATOM 415 CB SER A 30 -9.287 -14.413 -8.999 1.00 0.00 C ATOM 416 OG SER A 30 -10.496 -13.693 -9.171 1.00 0.00 O ATOM 0 H SER A 30 -7.281 -13.479 -10.379 1.00 0.00 H new ATOM 0 HA SER A 30 -8.611 -12.722 -7.858 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.986 -14.857 -9.948 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.445 -15.234 -8.299 1.00 0.00 H new ATOM 0 HG SER A 30 -11.192 -14.297 -9.504 1.00 0.00 H new ATOM 422 N GLN A 31 -7.668 -14.782 -6.485 1.00 0.00 N ATOM 423 CA GLN A 31 -6.836 -15.568 -5.581 1.00 0.00 C ATOM 424 C GLN A 31 -5.860 -16.441 -6.362 1.00 0.00 C ATOM 425 O GLN A 31 -4.646 -16.350 -6.179 1.00 0.00 O ATOM 426 CB GLN A 31 -7.709 -16.440 -4.678 1.00 0.00 C ATOM 427 CG GLN A 31 -7.042 -16.814 -3.364 1.00 0.00 C ATOM 428 CD GLN A 31 -7.314 -15.808 -2.263 1.00 0.00 C ATOM 429 OE1 GLN A 31 -8.134 -16.048 -1.377 1.00 0.00 O ATOM 430 NE2 GLN A 31 -6.626 -14.673 -2.314 1.00 0.00 N ATOM 0 H GLN A 31 -8.623 -14.636 -6.159 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.263 -14.878 -4.962 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.639 -15.912 -4.466 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.974 -17.352 -5.214 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.395 -17.796 -3.049 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.966 -16.896 -3.518 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.956 -14.516 -3.067 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.768 -13.958 -1.600 1.00 0.00 H new ATOM 439 N ALA A 32 -6.398 -17.288 -7.233 1.00 0.00 N ATOM 440 CA ALA A 32 -5.575 -18.177 -8.043 1.00 0.00 C ATOM 441 C ALA A 32 -4.390 -17.431 -8.647 1.00 0.00 C ATOM 442 O ALA A 32 -3.267 -17.934 -8.657 1.00 0.00 O ATOM 443 CB ALA A 32 -6.411 -18.819 -9.140 1.00 0.00 C ATOM 0 H ALA A 32 -7.401 -17.377 -7.396 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.185 -18.961 -7.393 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.783 -19.480 -9.737 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.220 -19.395 -8.691 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.830 -18.042 -9.780 1.00 0.00 H new ATOM 449 N ASP A 33 -4.649 -16.228 -9.149 1.00 0.00 N ATOM 450 CA ASP A 33 -3.603 -15.412 -9.755 1.00 0.00 C ATOM 451 C ASP A 33 -2.654 -14.868 -8.692 1.00 0.00 C ATOM 452 O ASP A 33 -1.436 -14.870 -8.874 1.00 0.00 O ATOM 453 CB ASP A 33 -4.222 -14.256 -10.543 1.00 0.00 C ATOM 454 CG ASP A 33 -4.506 -14.625 -11.986 1.00 0.00 C ATOM 455 OD1 ASP A 33 -3.696 -15.368 -12.578 1.00 0.00 O ATOM 456 OD2 ASP A 33 -5.538 -14.171 -12.523 1.00 0.00 O ATOM 0 H ASP A 33 -5.573 -15.797 -9.148 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.033 -16.043 -10.437 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.149 -13.947 -10.061 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.548 -13.400 -10.516 1.00 0.00 H new ATOM 461 N ILE A 34 -3.220 -14.403 -7.583 1.00 0.00 N ATOM 462 CA ILE A 34 -2.423 -13.856 -6.491 1.00 0.00 C ATOM 463 C ILE A 34 -1.455 -14.899 -5.942 1.00 0.00 C ATOM 464 O ILE A 34 -0.238 -14.715 -5.984 1.00 0.00 O ATOM 465 CB ILE A 34 -3.315 -13.346 -5.344 1.00 0.00 C ATOM 466 CG1 ILE A 34 -4.354 -12.357 -5.878 1.00 0.00 C ATOM 467 CG2 ILE A 34 -2.466 -12.698 -4.261 1.00 0.00 C ATOM 468 CD1 ILE A 34 -5.410 -11.983 -4.862 1.00 0.00 C ATOM 0 H ILE A 34 -4.226 -14.394 -7.417 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.858 -13.019 -6.901 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.840 -14.195 -4.907 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.845 -11.452 -6.211 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.840 -12.790 -6.753 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.111 -12.343 -3.457 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.762 -13.429 -3.865 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.916 -11.857 -4.684 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.112 -11.280 -5.309 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.945 -12.879 -4.547 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.935 -11.521 -3.997 1.00 0.00 H new ATOM 480 N LYS A 35 -2.003 -15.995 -5.429 1.00 0.00 N ATOM 481 CA LYS A 35 -1.189 -17.070 -4.874 1.00 0.00 C ATOM 482 C LYS A 35 0.052 -17.309 -5.727 1.00 0.00 C ATOM 483 O LYS A 35 1.130 -17.599 -5.207 1.00 0.00 O ATOM 484 CB LYS A 35 -2.009 -18.358 -4.774 1.00 0.00 C ATOM 485 CG LYS A 35 -1.359 -19.427 -3.913 1.00 0.00 C ATOM 486 CD LYS A 35 -2.285 -20.613 -3.702 1.00 0.00 C ATOM 487 CE LYS A 35 -2.286 -21.541 -4.907 1.00 0.00 C ATOM 488 NZ LYS A 35 -3.217 -22.689 -4.723 1.00 0.00 N ATOM 0 H LYS A 35 -3.008 -16.162 -5.386 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.869 -16.772 -3.876 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.992 -18.122 -4.366 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.167 -18.757 -5.776 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.436 -19.764 -4.385 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.086 -19.001 -2.947 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.973 -21.166 -2.816 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.298 -20.256 -3.515 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.572 -20.980 -5.797 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.277 -21.916 -5.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.188 -23.298 -5.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.929 -23.239 -3.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.184 -22.333 -4.586 1.00 0.00 H new ATOM 502 N LYS A 36 -0.106 -17.184 -7.041 1.00 0.00 N ATOM 503 CA LYS A 36 1.002 -17.384 -7.967 1.00 0.00 C ATOM 504 C LYS A 36 1.929 -16.173 -7.976 1.00 0.00 C ATOM 505 O LYS A 36 3.148 -16.313 -8.080 1.00 0.00 O ATOM 506 CB LYS A 36 0.473 -17.644 -9.379 1.00 0.00 C ATOM 507 CG LYS A 36 1.503 -17.404 -10.469 1.00 0.00 C ATOM 508 CD LYS A 36 0.846 -17.217 -11.826 1.00 0.00 C ATOM 509 CE LYS A 36 0.741 -18.533 -12.581 1.00 0.00 C ATOM 510 NZ LYS A 36 -0.158 -18.424 -13.764 1.00 0.00 N ATOM 0 H LYS A 36 -0.991 -16.945 -7.488 1.00 0.00 H new ATOM 0 HA LYS A 36 1.570 -18.252 -7.632 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.123 -18.674 -9.443 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.390 -17.002 -9.558 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.093 -16.521 -10.225 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.193 -18.247 -10.511 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.149 -16.792 -11.694 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.422 -16.503 -12.415 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.733 -18.845 -12.907 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.367 -19.307 -11.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.203 -19.342 -14.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.112 -18.151 -13.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.212 -17.703 -14.416 1.00 0.00 H new ATOM 524 N ALA A 37 1.344 -14.985 -7.864 1.00 0.00 N ATOM 525 CA ALA A 37 2.119 -13.750 -7.856 1.00 0.00 C ATOM 526 C ALA A 37 2.952 -13.633 -6.584 1.00 0.00 C ATOM 527 O ALA A 37 4.049 -13.075 -6.598 1.00 0.00 O ATOM 528 CB ALA A 37 1.197 -12.548 -7.997 1.00 0.00 C ATOM 0 H ALA A 37 0.336 -14.852 -7.778 1.00 0.00 H new ATOM 0 HA ALA A 37 2.802 -13.773 -8.706 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.789 -11.633 -7.990 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.649 -12.618 -8.937 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.492 -12.531 -7.166 1.00 0.00 H new ATOM 534 N TYR A 38 2.423 -14.161 -5.486 1.00 0.00 N ATOM 535 CA TYR A 38 3.117 -14.113 -4.204 1.00 0.00 C ATOM 536 C TYR A 38 4.282 -15.097 -4.178 1.00 0.00 C ATOM 537 O TYR A 38 5.442 -14.703 -4.056 1.00 0.00 O ATOM 538 CB TYR A 38 2.147 -14.424 -3.063 1.00 0.00 C ATOM 539 CG TYR A 38 2.809 -15.058 -1.861 1.00 0.00 C ATOM 540 CD1 TYR A 38 3.483 -14.283 -0.925 1.00 0.00 C ATOM 541 CD2 TYR A 38 2.761 -16.432 -1.661 1.00 0.00 C ATOM 542 CE1 TYR A 38 4.090 -14.858 0.174 1.00 0.00 C ATOM 543 CE2 TYR A 38 3.364 -17.016 -0.563 1.00 0.00 C ATOM 544 CZ TYR A 38 4.028 -16.225 0.351 1.00 0.00 C ATOM 545 OH TYR A 38 4.631 -16.801 1.446 1.00 0.00 O ATOM 0 H TYR A 38 1.516 -14.627 -5.458 1.00 0.00 H new ATOM 0 HA TYR A 38 3.512 -13.106 -4.072 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.657 -13.501 -2.753 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.367 -15.091 -3.432 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.533 -13.213 -1.059 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.244 -17.055 -2.376 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.611 -14.241 0.891 1.00 0.00 H new ATOM 0 HE2 TYR A 38 3.315 -18.086 -0.422 1.00 0.00 H new ATOM 0 HH TYR A 38 4.494 -17.771 1.423 1.00 0.00 H new ATOM 555 N LYS A 39 3.966 -16.383 -4.295 1.00 0.00 N ATOM 556 CA LYS A 39 4.984 -17.426 -4.288 1.00 0.00 C ATOM 557 C LYS A 39 6.135 -17.069 -5.222 1.00 0.00 C ATOM 558 O LYS A 39 7.305 -17.248 -4.881 1.00 0.00 O ATOM 559 CB LYS A 39 4.373 -18.767 -4.702 1.00 0.00 C ATOM 560 CG LYS A 39 3.835 -19.576 -3.535 1.00 0.00 C ATOM 561 CD LYS A 39 2.688 -20.477 -3.963 1.00 0.00 C ATOM 562 CE LYS A 39 2.465 -21.606 -2.969 1.00 0.00 C ATOM 563 NZ LYS A 39 3.595 -22.575 -2.967 1.00 0.00 N ATOM 0 H LYS A 39 3.011 -16.727 -4.396 1.00 0.00 H new ATOM 0 HA LYS A 39 5.375 -17.510 -3.274 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.565 -18.585 -5.411 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.128 -19.355 -5.224 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.636 -20.182 -3.111 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.495 -18.901 -2.749 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.776 -19.887 -4.056 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.900 -20.894 -4.948 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.342 -21.190 -1.969 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.540 -22.128 -3.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.279 -23.477 -2.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.918 -22.734 -3.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.379 -22.193 -2.401 1.00 0.00 H new ATOM 577 N LYS A 40 5.797 -16.563 -6.403 1.00 0.00 N ATOM 578 CA LYS A 40 6.802 -16.178 -7.387 1.00 0.00 C ATOM 579 C LYS A 40 7.754 -15.133 -6.813 1.00 0.00 C ATOM 580 O LYS A 40 8.959 -15.368 -6.706 1.00 0.00 O ATOM 581 CB LYS A 40 6.128 -15.631 -8.648 1.00 0.00 C ATOM 582 CG LYS A 40 7.090 -14.944 -9.602 1.00 0.00 C ATOM 583 CD LYS A 40 7.925 -15.952 -10.373 1.00 0.00 C ATOM 584 CE LYS A 40 8.819 -15.269 -11.397 1.00 0.00 C ATOM 585 NZ LYS A 40 10.027 -16.081 -11.708 1.00 0.00 N ATOM 0 H LYS A 40 4.834 -16.410 -6.702 1.00 0.00 H new ATOM 0 HA LYS A 40 7.379 -17.066 -7.646 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.634 -16.450 -9.171 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.351 -14.924 -8.357 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.529 -14.324 -10.301 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.747 -14.279 -9.042 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.538 -16.525 -9.678 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.268 -16.660 -10.877 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.254 -15.093 -12.312 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.125 -14.293 -11.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.771 -15.464 -12.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.371 -16.538 -10.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.785 -16.809 -12.410 1.00 0.00 H new ATOM 599 N LEU A 41 7.207 -13.981 -6.443 1.00 0.00 N ATOM 600 CA LEU A 41 8.007 -12.900 -5.877 1.00 0.00 C ATOM 601 C LEU A 41 8.796 -13.385 -4.664 1.00 0.00 C ATOM 602 O LEU A 41 9.959 -13.024 -4.484 1.00 0.00 O ATOM 603 CB LEU A 41 7.109 -11.727 -5.480 1.00 0.00 C ATOM 604 CG LEU A 41 6.675 -10.800 -6.616 1.00 0.00 C ATOM 605 CD1 LEU A 41 5.334 -10.158 -6.298 1.00 0.00 C ATOM 606 CD2 LEU A 41 7.732 -9.735 -6.869 1.00 0.00 C ATOM 0 H LEU A 41 6.212 -13.771 -6.525 1.00 0.00 H new ATOM 0 HA LEU A 41 8.713 -12.567 -6.638 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.215 -12.126 -5.001 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.632 -11.132 -4.732 1.00 0.00 H new ATOM 0 HG LEU A 41 6.564 -11.395 -7.522 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.041 -9.502 -7.118 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.580 -10.935 -6.168 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.418 -9.577 -5.380 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.406 -9.085 -7.681 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.876 -9.143 -5.965 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.672 -10.213 -7.143 1.00 0.00 H new ATOM 618 N ALA A 42 8.156 -14.205 -3.838 1.00 0.00 N ATOM 619 CA ALA A 42 8.799 -14.742 -2.645 1.00 0.00 C ATOM 620 C ALA A 42 9.927 -15.700 -3.013 1.00 0.00 C ATOM 621 O ALA A 42 10.947 -15.766 -2.327 1.00 0.00 O ATOM 622 CB ALA A 42 7.775 -15.443 -1.764 1.00 0.00 C ATOM 0 H ALA A 42 7.193 -14.512 -3.973 1.00 0.00 H new ATOM 0 HA ALA A 42 9.231 -13.910 -2.090 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.269 -15.839 -0.877 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.006 -14.732 -1.464 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.316 -16.261 -2.320 1.00 0.00 H new ATOM 628 N ARG A 43 9.736 -16.441 -4.100 1.00 0.00 N ATOM 629 CA ARG A 43 10.737 -17.397 -4.558 1.00 0.00 C ATOM 630 C ARG A 43 11.921 -16.679 -5.199 1.00 0.00 C ATOM 631 O ARG A 43 13.076 -17.015 -4.941 1.00 0.00 O ATOM 632 CB ARG A 43 10.118 -18.376 -5.557 1.00 0.00 C ATOM 633 CG ARG A 43 9.328 -19.497 -4.901 1.00 0.00 C ATOM 634 CD ARG A 43 8.400 -20.179 -5.895 1.00 0.00 C ATOM 635 NE ARG A 43 9.125 -21.068 -6.798 1.00 0.00 N ATOM 636 CZ ARG A 43 9.447 -22.321 -6.495 1.00 0.00 C ATOM 637 NH1 ARG A 43 9.111 -22.829 -5.317 1.00 0.00 N ATOM 638 NH2 ARG A 43 10.108 -23.068 -7.370 1.00 0.00 N ATOM 0 H ARG A 43 8.898 -16.398 -4.679 1.00 0.00 H new ATOM 0 HA ARG A 43 11.097 -17.952 -3.692 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.461 -17.827 -6.232 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.911 -18.810 -6.166 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.016 -20.231 -4.481 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.744 -19.096 -4.072 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.645 -20.749 -5.354 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.873 -19.423 -6.477 1.00 0.00 H new ATOM 0 HE ARG A 43 9.399 -20.707 -7.712 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.604 -22.258 -4.641 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.359 -23.791 -5.087 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.370 -22.681 -8.277 1.00 0.00 H new ATOM 0 HH22 ARG A 43 10.355 -24.030 -7.136 1.00 0.00 H new ATOM 652 N GLU A 44 11.624 -15.690 -6.036 1.00 0.00 N ATOM 653 CA GLU A 44 12.664 -14.927 -6.715 1.00 0.00 C ATOM 654 C GLU A 44 13.370 -13.985 -5.744 1.00 0.00 C ATOM 655 O GLU A 44 14.593 -14.016 -5.611 1.00 0.00 O ATOM 656 CB GLU A 44 12.066 -14.127 -7.875 1.00 0.00 C ATOM 657 CG GLU A 44 11.923 -14.929 -9.157 1.00 0.00 C ATOM 658 CD GLU A 44 11.661 -14.053 -10.367 1.00 0.00 C ATOM 659 OE1 GLU A 44 11.035 -12.985 -10.201 1.00 0.00 O ATOM 660 OE2 GLU A 44 12.082 -14.435 -11.479 1.00 0.00 O ATOM 0 H GLU A 44 10.672 -15.399 -6.260 1.00 0.00 H new ATOM 0 HA GLU A 44 13.397 -15.631 -7.108 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.086 -13.752 -7.580 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.695 -13.258 -8.068 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.832 -15.508 -9.322 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.106 -15.642 -9.046 1.00 0.00 H new ATOM 667 N TRP A 45 12.590 -13.148 -5.069 1.00 0.00 N ATOM 668 CA TRP A 45 13.139 -12.197 -4.110 1.00 0.00 C ATOM 669 C TRP A 45 13.509 -12.892 -2.804 1.00 0.00 C ATOM 670 O TRP A 45 13.860 -12.240 -1.821 1.00 0.00 O ATOM 671 CB TRP A 45 12.134 -11.077 -3.839 1.00 0.00 C ATOM 672 CG TRP A 45 11.823 -10.251 -5.050 1.00 0.00 C ATOM 673 CD1 TRP A 45 10.980 -10.580 -6.073 1.00 0.00 C ATOM 674 CD2 TRP A 45 12.354 -8.959 -5.366 1.00 0.00 C ATOM 675 NE1 TRP A 45 10.955 -9.571 -7.005 1.00 0.00 N ATOM 676 CE2 TRP A 45 11.789 -8.565 -6.594 1.00 0.00 C ATOM 677 CE3 TRP A 45 13.251 -8.096 -4.729 1.00 0.00 C ATOM 678 CZ2 TRP A 45 12.093 -7.347 -7.197 1.00 0.00 C ATOM 679 CZ3 TRP A 45 13.552 -6.888 -5.329 1.00 0.00 C ATOM 680 CH2 TRP A 45 12.974 -6.522 -6.552 1.00 0.00 C ATOM 0 H TRP A 45 11.576 -13.109 -5.168 1.00 0.00 H new ATOM 0 HA TRP A 45 14.044 -11.767 -4.540 1.00 0.00 H new ATOM 0 HB2 TRP A 45 11.210 -11.512 -3.458 1.00 0.00 H new ATOM 0 HB3 TRP A 45 12.527 -10.428 -3.057 1.00 0.00 H new ATOM 0 HD1 TRP A 45 10.416 -11.499 -6.139 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.405 -9.571 -7.864 1.00 0.00 H new ATOM 0 HE3 TRP A 45 13.700 -8.368 -3.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 11.649 -7.064 -8.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 14.245 -6.214 -4.847 1.00 0.00 H new ATOM 0 HH2 TRP A 45 13.229 -5.570 -6.994 1.00 0.00 H new ATOM 691 N HIS A 46 13.429 -14.219 -2.802 1.00 0.00 N ATOM 692 CA HIS A 46 13.757 -15.002 -1.616 1.00 0.00 C ATOM 693 C HIS A 46 15.158 -14.667 -1.114 1.00 0.00 C ATOM 694 O HIS A 46 16.126 -14.637 -1.875 1.00 0.00 O ATOM 695 CB HIS A 46 13.656 -16.497 -1.922 1.00 0.00 C ATOM 696 CG HIS A 46 13.243 -17.323 -0.743 1.00 0.00 C ATOM 697 ND1 HIS A 46 13.812 -18.542 -0.442 1.00 0.00 N ATOM 698 CD2 HIS A 46 12.311 -17.098 0.212 1.00 0.00 C ATOM 699 CE1 HIS A 46 13.247 -19.032 0.647 1.00 0.00 C ATOM 700 NE2 HIS A 46 12.333 -18.175 1.064 1.00 0.00 N ATOM 0 H HIS A 46 13.140 -14.774 -3.608 1.00 0.00 H new ATOM 0 HA HIS A 46 13.040 -14.749 -0.835 1.00 0.00 H new ATOM 0 HB2 HIS A 46 12.939 -16.647 -2.729 1.00 0.00 H new ATOM 0 HB3 HIS A 46 14.621 -16.852 -2.283 1.00 0.00 H new ATOM 0 HD2 HIS A 46 11.669 -16.233 0.290 1.00 0.00 H new ATOM 0 HE1 HIS A 46 13.491 -19.973 1.116 1.00 0.00 H new ATOM 0 HE2 HIS A 46 11.740 -18.294 1.885 1.00 0.00 H new ATOM 708 N PRO A 47 15.272 -14.408 0.197 1.00 0.00 N ATOM 709 CA PRO A 47 16.550 -14.071 0.830 1.00 0.00 C ATOM 710 C PRO A 47 17.503 -15.260 0.882 1.00 0.00 C ATOM 711 O PRO A 47 18.715 -15.091 1.016 1.00 0.00 O ATOM 712 CB PRO A 47 16.146 -13.647 2.244 1.00 0.00 C ATOM 713 CG PRO A 47 14.855 -14.349 2.495 1.00 0.00 C ATOM 714 CD PRO A 47 14.161 -14.426 1.164 1.00 0.00 C ATOM 0 HA PRO A 47 17.087 -13.301 0.277 1.00 0.00 H new ATOM 0 HB2 PRO A 47 16.902 -13.935 2.975 1.00 0.00 H new ATOM 0 HB3 PRO A 47 16.029 -12.566 2.315 1.00 0.00 H new ATOM 0 HG2 PRO A 47 15.025 -15.345 2.905 1.00 0.00 H new ATOM 0 HG3 PRO A 47 14.249 -13.805 3.220 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.565 -15.334 1.074 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.485 -13.584 1.014 1.00 0.00 H new ATOM 722 N ASP A 48 16.948 -16.462 0.776 1.00 0.00 N ATOM 723 CA ASP A 48 17.749 -17.680 0.810 1.00 0.00 C ATOM 724 C ASP A 48 18.770 -17.690 -0.323 1.00 0.00 C ATOM 725 O ASP A 48 19.943 -18.000 -0.113 1.00 0.00 O ATOM 726 CB ASP A 48 16.847 -18.912 0.711 1.00 0.00 C ATOM 727 CG ASP A 48 17.611 -20.158 0.307 1.00 0.00 C ATOM 728 OD1 ASP A 48 17.795 -20.372 -0.910 1.00 0.00 O ATOM 729 OD2 ASP A 48 18.025 -20.917 1.207 1.00 0.00 O ATOM 0 H ASP A 48 15.946 -16.619 0.666 1.00 0.00 H new ATOM 0 HA ASP A 48 18.285 -17.707 1.759 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.363 -19.082 1.672 1.00 0.00 H new ATOM 0 HB3 ASP A 48 16.057 -18.723 -0.015 1.00 0.00 H new ATOM 734 N LYS A 49 18.317 -17.350 -1.525 1.00 0.00 N ATOM 735 CA LYS A 49 19.190 -17.319 -2.692 1.00 0.00 C ATOM 736 C LYS A 49 19.814 -15.939 -2.869 1.00 0.00 C ATOM 737 O LYS A 49 20.925 -15.810 -3.382 1.00 0.00 O ATOM 738 CB LYS A 49 18.408 -17.702 -3.950 1.00 0.00 C ATOM 739 CG LYS A 49 19.268 -17.788 -5.199 1.00 0.00 C ATOM 740 CD LYS A 49 18.561 -18.543 -6.313 1.00 0.00 C ATOM 741 CE LYS A 49 19.280 -18.376 -7.643 1.00 0.00 C ATOM 742 NZ LYS A 49 18.992 -19.502 -8.574 1.00 0.00 N ATOM 0 H LYS A 49 17.349 -17.092 -1.716 1.00 0.00 H new ATOM 0 HA LYS A 49 19.990 -18.042 -2.535 1.00 0.00 H new ATOM 0 HB2 LYS A 49 17.922 -18.664 -3.787 1.00 0.00 H new ATOM 0 HB3 LYS A 49 17.618 -16.969 -4.113 1.00 0.00 H new ATOM 0 HG2 LYS A 49 19.517 -16.783 -5.540 1.00 0.00 H new ATOM 0 HG3 LYS A 49 20.208 -18.286 -4.961 1.00 0.00 H new ATOM 0 HD2 LYS A 49 18.506 -19.601 -6.058 1.00 0.00 H new ATOM 0 HD3 LYS A 49 17.536 -18.183 -6.404 1.00 0.00 H new ATOM 0 HE2 LYS A 49 18.976 -17.436 -8.105 1.00 0.00 H new ATOM 0 HE3 LYS A 49 20.354 -18.314 -7.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 19.500 -19.351 -9.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 19.305 -20.396 -8.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 17.970 -19.546 -8.760 1.00 0.00 H new ATOM 756 N ASN A 50 19.092 -14.909 -2.439 1.00 0.00 N ATOM 757 CA ASN A 50 19.576 -13.537 -2.549 1.00 0.00 C ATOM 758 C ASN A 50 20.666 -13.260 -1.518 1.00 0.00 C ATOM 759 O ASN A 50 20.429 -13.334 -0.312 1.00 0.00 O ATOM 760 CB ASN A 50 18.421 -12.551 -2.364 1.00 0.00 C ATOM 761 CG ASN A 50 17.722 -12.227 -3.671 1.00 0.00 C ATOM 762 OD1 ASN A 50 18.357 -12.141 -4.722 1.00 0.00 O ATOM 763 ND2 ASN A 50 16.408 -12.045 -3.610 1.00 0.00 N ATOM 0 H ASN A 50 18.170 -14.998 -2.011 1.00 0.00 H new ATOM 0 HA ASN A 50 20.001 -13.407 -3.544 1.00 0.00 H new ATOM 0 HB2 ASN A 50 17.699 -12.969 -1.663 1.00 0.00 H new ATOM 0 HB3 ASN A 50 18.800 -11.631 -1.920 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.884 -11.824 -4.457 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.923 -12.126 -2.716 1.00 0.00 H new ATOM 770 N LYS A 51 21.862 -12.941 -2.001 1.00 0.00 N ATOM 771 CA LYS A 51 22.989 -12.651 -1.124 1.00 0.00 C ATOM 772 C LYS A 51 23.151 -11.147 -0.925 1.00 0.00 C ATOM 773 O LYS A 51 23.505 -10.690 0.162 1.00 0.00 O ATOM 774 CB LYS A 51 24.277 -13.241 -1.702 1.00 0.00 C ATOM 775 CG LYS A 51 24.519 -14.685 -1.298 1.00 0.00 C ATOM 776 CD LYS A 51 24.939 -14.794 0.158 1.00 0.00 C ATOM 777 CE LYS A 51 24.888 -16.234 0.647 1.00 0.00 C ATOM 778 NZ LYS A 51 26.140 -16.974 0.324 1.00 0.00 N ATOM 0 H LYS A 51 22.075 -12.877 -2.996 1.00 0.00 H new ATOM 0 HA LYS A 51 22.790 -13.109 -0.155 1.00 0.00 H new ATOM 0 HB2 LYS A 51 24.239 -13.178 -2.790 1.00 0.00 H new ATOM 0 HB3 LYS A 51 25.122 -12.635 -1.377 1.00 0.00 H new ATOM 0 HG2 LYS A 51 23.611 -15.266 -1.460 1.00 0.00 H new ATOM 0 HG3 LYS A 51 25.292 -15.117 -1.934 1.00 0.00 H new ATOM 0 HD2 LYS A 51 25.950 -14.404 0.276 1.00 0.00 H new ATOM 0 HD3 LYS A 51 24.285 -14.176 0.774 1.00 0.00 H new ATOM 0 HE2 LYS A 51 24.727 -16.246 1.725 1.00 0.00 H new ATOM 0 HE3 LYS A 51 24.038 -16.742 0.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 26.066 -17.951 0.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 26.281 -16.985 -0.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 26.948 -16.504 0.779 1.00 0.00 H new ATOM 792 N ASP A 52 22.889 -10.384 -1.980 1.00 0.00 N ATOM 793 CA ASP A 52 23.003 -8.932 -1.921 1.00 0.00 C ATOM 794 C ASP A 52 22.158 -8.366 -0.784 1.00 0.00 C ATOM 795 O ASP A 52 21.044 -8.819 -0.521 1.00 0.00 O ATOM 796 CB ASP A 52 22.572 -8.310 -3.250 1.00 0.00 C ATOM 797 CG ASP A 52 23.685 -8.314 -4.279 1.00 0.00 C ATOM 798 OD1 ASP A 52 23.858 -9.346 -4.962 1.00 0.00 O ATOM 799 OD2 ASP A 52 24.385 -7.287 -4.401 1.00 0.00 O ATOM 0 H ASP A 52 22.596 -10.747 -2.887 1.00 0.00 H new ATOM 0 HA ASP A 52 24.047 -8.682 -1.733 1.00 0.00 H new ATOM 0 HB2 ASP A 52 21.716 -8.858 -3.643 1.00 0.00 H new ATOM 0 HB3 ASP A 52 22.243 -7.285 -3.078 1.00 0.00 H new ATOM 804 N PRO A 53 22.700 -7.353 -0.091 1.00 0.00 N ATOM 805 CA PRO A 53 22.013 -6.705 1.031 1.00 0.00 C ATOM 806 C PRO A 53 20.813 -5.881 0.577 1.00 0.00 C ATOM 807 O PRO A 53 20.960 -4.898 -0.148 1.00 0.00 O ATOM 808 CB PRO A 53 23.090 -5.796 1.628 1.00 0.00 C ATOM 809 CG PRO A 53 24.023 -5.521 0.499 1.00 0.00 C ATOM 810 CD PRO A 53 24.024 -6.763 -0.348 1.00 0.00 C ATOM 0 HA PRO A 53 21.609 -7.431 1.736 1.00 0.00 H new ATOM 0 HB2 PRO A 53 22.658 -4.874 2.018 1.00 0.00 H new ATOM 0 HB3 PRO A 53 23.604 -6.283 2.457 1.00 0.00 H new ATOM 0 HG2 PRO A 53 23.695 -4.656 -0.077 1.00 0.00 H new ATOM 0 HG3 PRO A 53 25.025 -5.298 0.866 1.00 0.00 H new ATOM 0 HD2 PRO A 53 24.162 -6.529 -1.404 1.00 0.00 H new ATOM 0 HD3 PRO A 53 24.828 -7.442 -0.065 1.00 0.00 H new ATOM 818 N GLY A 54 19.623 -6.289 1.009 1.00 0.00 N ATOM 819 CA GLY A 54 18.415 -5.577 0.637 1.00 0.00 C ATOM 820 C GLY A 54 17.324 -6.506 0.141 1.00 0.00 C ATOM 821 O GLY A 54 16.162 -6.367 0.518 1.00 0.00 O ATOM 0 H GLY A 54 19.475 -7.100 1.610 1.00 0.00 H new ATOM 0 HA2 GLY A 54 18.048 -5.017 1.497 1.00 0.00 H new ATOM 0 HA3 GLY A 54 18.650 -4.850 -0.140 1.00 0.00 H new ATOM 825 N ALA A 55 17.700 -7.455 -0.710 1.00 0.00 N ATOM 826 CA ALA A 55 16.745 -8.410 -1.259 1.00 0.00 C ATOM 827 C ALA A 55 15.710 -8.813 -0.215 1.00 0.00 C ATOM 828 O ALA A 55 14.562 -9.107 -0.548 1.00 0.00 O ATOM 829 CB ALA A 55 17.472 -9.639 -1.786 1.00 0.00 C ATOM 0 H ALA A 55 18.659 -7.583 -1.034 1.00 0.00 H new ATOM 0 HA ALA A 55 16.221 -7.929 -2.085 1.00 0.00 H new ATOM 0 HB1 ALA A 55 16.747 -10.344 -2.193 1.00 0.00 H new ATOM 0 HB2 ALA A 55 18.168 -9.341 -2.570 1.00 0.00 H new ATOM 0 HB3 ALA A 55 18.022 -10.113 -0.973 1.00 0.00 H new ATOM 835 N GLU A 56 16.123 -8.825 1.048 1.00 0.00 N ATOM 836 CA GLU A 56 15.230 -9.193 2.140 1.00 0.00 C ATOM 837 C GLU A 56 14.097 -8.180 2.282 1.00 0.00 C ATOM 838 O GLU A 56 12.920 -8.540 2.247 1.00 0.00 O ATOM 839 CB GLU A 56 16.008 -9.292 3.454 1.00 0.00 C ATOM 840 CG GLU A 56 15.150 -9.701 4.640 1.00 0.00 C ATOM 841 CD GLU A 56 15.971 -9.986 5.883 1.00 0.00 C ATOM 842 OE1 GLU A 56 16.846 -9.160 6.219 1.00 0.00 O ATOM 843 OE2 GLU A 56 15.739 -11.035 6.519 1.00 0.00 O ATOM 0 H GLU A 56 17.070 -8.584 1.340 1.00 0.00 H new ATOM 0 HA GLU A 56 14.797 -10.166 1.908 1.00 0.00 H new ATOM 0 HB2 GLU A 56 16.816 -10.014 3.335 1.00 0.00 H new ATOM 0 HB3 GLU A 56 16.471 -8.328 3.666 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.434 -8.908 4.856 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.574 -10.589 4.378 1.00 0.00 H new ATOM 850 N ASP A 57 14.461 -6.913 2.442 1.00 0.00 N ATOM 851 CA ASP A 57 13.477 -5.847 2.589 1.00 0.00 C ATOM 852 C ASP A 57 12.251 -6.117 1.723 1.00 0.00 C ATOM 853 O ASP A 57 11.132 -6.221 2.227 1.00 0.00 O ATOM 854 CB ASP A 57 14.094 -4.499 2.215 1.00 0.00 C ATOM 855 CG ASP A 57 14.871 -3.880 3.360 1.00 0.00 C ATOM 856 OD1 ASP A 57 15.852 -4.503 3.817 1.00 0.00 O ATOM 857 OD2 ASP A 57 14.498 -2.772 3.799 1.00 0.00 O ATOM 0 H ASP A 57 15.431 -6.599 2.473 1.00 0.00 H new ATOM 0 HA ASP A 57 13.163 -5.817 3.632 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.757 -4.631 1.360 1.00 0.00 H new ATOM 0 HB3 ASP A 57 13.304 -3.815 1.904 1.00 0.00 H new ATOM 862 N ARG A 58 12.468 -6.229 0.416 1.00 0.00 N ATOM 863 CA ARG A 58 11.381 -6.485 -0.520 1.00 0.00 C ATOM 864 C ARG A 58 10.590 -7.724 -0.111 1.00 0.00 C ATOM 865 O ARG A 58 9.369 -7.674 0.036 1.00 0.00 O ATOM 866 CB ARG A 58 11.930 -6.662 -1.937 1.00 0.00 C ATOM 867 CG ARG A 58 10.877 -6.511 -3.022 1.00 0.00 C ATOM 868 CD ARG A 58 10.455 -5.060 -3.191 1.00 0.00 C ATOM 869 NE ARG A 58 9.964 -4.786 -4.539 1.00 0.00 N ATOM 870 CZ ARG A 58 9.267 -3.702 -4.861 1.00 0.00 C ATOM 871 NH1 ARG A 58 8.982 -2.795 -3.938 1.00 0.00 N ATOM 872 NH2 ARG A 58 8.854 -3.524 -6.110 1.00 0.00 N ATOM 0 H ARG A 58 13.387 -6.146 -0.018 1.00 0.00 H new ATOM 0 HA ARG A 58 10.711 -5.626 -0.502 1.00 0.00 H new ATOM 0 HB2 ARG A 58 12.720 -5.930 -2.105 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.386 -7.648 -2.020 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.269 -6.889 -3.966 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.006 -7.118 -2.772 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.676 -4.822 -2.466 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.302 -4.409 -2.974 1.00 0.00 H new ATOM 0 HE ARG A 58 10.167 -5.464 -5.273 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.298 -2.928 -2.977 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.447 -1.964 -4.188 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.072 -4.220 -6.823 1.00 0.00 H new ATOM 0 HH22 ARG A 58 8.319 -2.691 -6.356 1.00 0.00 H new ATOM 886 N PHE A 59 11.296 -8.835 0.071 1.00 0.00 N ATOM 887 CA PHE A 59 10.660 -10.088 0.462 1.00 0.00 C ATOM 888 C PHE A 59 9.676 -9.865 1.607 1.00 0.00 C ATOM 889 O PHE A 59 8.529 -10.307 1.548 1.00 0.00 O ATOM 890 CB PHE A 59 11.718 -11.114 0.876 1.00 0.00 C ATOM 891 CG PHE A 59 11.156 -12.282 1.635 1.00 0.00 C ATOM 892 CD1 PHE A 59 10.544 -13.330 0.966 1.00 0.00 C ATOM 893 CD2 PHE A 59 11.239 -12.332 3.017 1.00 0.00 C ATOM 894 CE1 PHE A 59 10.026 -14.406 1.661 1.00 0.00 C ATOM 895 CE2 PHE A 59 10.723 -13.406 3.718 1.00 0.00 C ATOM 896 CZ PHE A 59 10.115 -14.444 3.039 1.00 0.00 C ATOM 0 H PHE A 59 12.308 -8.893 -0.046 1.00 0.00 H new ATOM 0 HA PHE A 59 10.109 -10.470 -0.397 1.00 0.00 H new ATOM 0 HB2 PHE A 59 12.225 -11.481 -0.016 1.00 0.00 H new ATOM 0 HB3 PHE A 59 12.471 -10.620 1.490 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.471 -13.305 -0.111 1.00 0.00 H new ATOM 0 HD2 PHE A 59 11.712 -11.523 3.553 1.00 0.00 H new ATOM 0 HE1 PHE A 59 9.552 -15.217 1.127 1.00 0.00 H new ATOM 0 HE2 PHE A 59 10.795 -13.433 4.795 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.710 -15.284 3.584 1.00 0.00 H new ATOM 906 N ILE A 60 10.135 -9.178 2.648 1.00 0.00 N ATOM 907 CA ILE A 60 9.296 -8.895 3.806 1.00 0.00 C ATOM 908 C ILE A 60 7.951 -8.315 3.382 1.00 0.00 C ATOM 909 O ILE A 60 6.903 -8.728 3.877 1.00 0.00 O ATOM 910 CB ILE A 60 9.984 -7.915 4.773 1.00 0.00 C ATOM 911 CG1 ILE A 60 11.288 -8.516 5.302 1.00 0.00 C ATOM 912 CG2 ILE A 60 9.051 -7.564 5.923 1.00 0.00 C ATOM 913 CD1 ILE A 60 12.204 -7.499 5.946 1.00 0.00 C ATOM 0 H ILE A 60 11.083 -8.807 2.713 1.00 0.00 H new ATOM 0 HA ILE A 60 9.134 -9.844 4.318 1.00 0.00 H new ATOM 0 HB ILE A 60 10.222 -7.000 4.231 1.00 0.00 H new ATOM 0 HG12 ILE A 60 11.052 -9.293 6.030 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.816 -8.999 4.480 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.551 -6.870 6.599 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.147 -7.099 5.529 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.785 -8.471 6.466 1.00 0.00 H new ATOM 0 HD11 ILE A 60 13.108 -7.995 6.298 1.00 0.00 H new ATOM 0 HD12 ILE A 60 12.470 -6.735 5.216 1.00 0.00 H new ATOM 0 HD13 ILE A 60 11.694 -7.033 6.789 1.00 0.00 H new ATOM 925 N GLN A 61 7.990 -7.357 2.462 1.00 0.00 N ATOM 926 CA GLN A 61 6.773 -6.720 1.970 1.00 0.00 C ATOM 927 C GLN A 61 5.917 -7.712 1.190 1.00 0.00 C ATOM 928 O GLN A 61 4.758 -7.948 1.530 1.00 0.00 O ATOM 929 CB GLN A 61 7.121 -5.522 1.085 1.00 0.00 C ATOM 930 CG GLN A 61 7.690 -4.342 1.855 1.00 0.00 C ATOM 931 CD GLN A 61 6.615 -3.507 2.523 1.00 0.00 C ATOM 932 OE1 GLN A 61 6.107 -3.863 3.587 1.00 0.00 O ATOM 933 NE2 GLN A 61 6.261 -2.389 1.900 1.00 0.00 N ATOM 0 H GLN A 61 8.850 -7.005 2.042 1.00 0.00 H new ATOM 0 HA GLN A 61 6.201 -6.373 2.831 1.00 0.00 H new ATOM 0 HB2 GLN A 61 7.843 -5.835 0.331 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.225 -5.201 0.554 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.383 -4.708 2.612 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.264 -3.712 1.175 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.708 -2.132 1.020 1.00 0.00 H new ATOM 0 HE22 GLN A 61 5.542 -1.787 2.302 1.00 0.00 H new ATOM 942 N ILE A 62 6.496 -8.290 0.143 1.00 0.00 N ATOM 943 CA ILE A 62 5.786 -9.257 -0.685 1.00 0.00 C ATOM 944 C ILE A 62 4.955 -10.208 0.170 1.00 0.00 C ATOM 945 O ILE A 62 3.815 -10.526 -0.165 1.00 0.00 O ATOM 946 CB ILE A 62 6.758 -10.079 -1.551 1.00 0.00 C ATOM 947 CG1 ILE A 62 7.547 -9.159 -2.485 1.00 0.00 C ATOM 948 CG2 ILE A 62 5.999 -11.129 -2.349 1.00 0.00 C ATOM 949 CD1 ILE A 62 8.928 -9.677 -2.819 1.00 0.00 C ATOM 0 H ILE A 62 7.455 -8.105 -0.152 1.00 0.00 H new ATOM 0 HA ILE A 62 5.125 -8.687 -1.338 1.00 0.00 H new ATOM 0 HB ILE A 62 7.463 -10.589 -0.895 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.985 -9.025 -3.409 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.639 -8.177 -2.022 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.700 -11.702 -2.956 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.479 -11.800 -1.665 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.274 -10.639 -2.998 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.429 -8.974 -3.485 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.508 -9.785 -1.902 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.844 -10.646 -3.311 1.00 0.00 H new ATOM 961 N SER A 63 5.536 -10.658 1.278 1.00 0.00 N ATOM 962 CA SER A 63 4.850 -11.575 2.182 1.00 0.00 C ATOM 963 C SER A 63 3.717 -10.866 2.918 1.00 0.00 C ATOM 964 O SER A 63 2.629 -11.417 3.084 1.00 0.00 O ATOM 965 CB SER A 63 5.838 -12.164 3.190 1.00 0.00 C ATOM 966 OG SER A 63 5.359 -13.388 3.719 1.00 0.00 O ATOM 0 H SER A 63 6.479 -10.403 1.571 1.00 0.00 H new ATOM 0 HA SER A 63 4.424 -12.383 1.587 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.802 -12.325 2.707 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.002 -11.454 4.000 1.00 0.00 H new ATOM 0 HG SER A 63 6.010 -13.745 4.359 1.00 0.00 H new ATOM 972 N LYS A 64 3.980 -9.640 3.356 1.00 0.00 N ATOM 973 CA LYS A 64 2.984 -8.853 4.073 1.00 0.00 C ATOM 974 C LYS A 64 1.773 -8.573 3.190 1.00 0.00 C ATOM 975 O LYS A 64 0.630 -8.709 3.626 1.00 0.00 O ATOM 976 CB LYS A 64 3.595 -7.534 4.553 1.00 0.00 C ATOM 977 CG LYS A 64 4.522 -7.691 5.746 1.00 0.00 C ATOM 978 CD LYS A 64 5.550 -6.573 5.804 1.00 0.00 C ATOM 979 CE LYS A 64 4.982 -5.329 6.470 1.00 0.00 C ATOM 980 NZ LYS A 64 6.056 -4.447 7.004 1.00 0.00 N ATOM 0 H LYS A 64 4.876 -9.169 3.227 1.00 0.00 H new ATOM 0 HA LYS A 64 2.655 -9.430 4.937 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.148 -7.079 3.731 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.792 -6.846 4.816 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.936 -7.696 6.665 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.032 -8.653 5.688 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.428 -6.913 6.353 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.880 -6.328 4.795 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.381 -4.774 5.750 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.317 -5.623 7.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.628 -3.610 7.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.614 -4.968 7.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.676 -4.145 6.226 1.00 0.00 H new ATOM 994 N ALA A 65 2.031 -8.183 1.946 1.00 0.00 N ATOM 995 CA ALA A 65 0.961 -7.888 1.000 1.00 0.00 C ATOM 996 C ALA A 65 0.005 -9.068 0.868 1.00 0.00 C ATOM 997 O ALA A 65 -1.214 -8.899 0.909 1.00 0.00 O ATOM 998 CB ALA A 65 1.543 -7.522 -0.357 1.00 0.00 C ATOM 0 H ALA A 65 2.971 -8.064 1.570 1.00 0.00 H new ATOM 0 HA ALA A 65 0.396 -7.038 1.381 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.733 -7.304 -1.053 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.180 -6.643 -0.255 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.134 -8.356 -0.737 1.00 0.00 H new ATOM 1004 N TYR A 66 0.564 -10.262 0.707 1.00 0.00 N ATOM 1005 CA TYR A 66 -0.240 -11.470 0.565 1.00 0.00 C ATOM 1006 C TYR A 66 -0.997 -11.775 1.854 1.00 0.00 C ATOM 1007 O TYR A 66 -2.202 -12.021 1.835 1.00 0.00 O ATOM 1008 CB TYR A 66 0.648 -12.657 0.189 1.00 0.00 C ATOM 1009 CG TYR A 66 -0.129 -13.888 -0.221 1.00 0.00 C ATOM 1010 CD1 TYR A 66 -1.217 -13.793 -1.080 1.00 0.00 C ATOM 1011 CD2 TYR A 66 0.224 -15.146 0.252 1.00 0.00 C ATOM 1012 CE1 TYR A 66 -1.930 -14.915 -1.456 1.00 0.00 C ATOM 1013 CE2 TYR A 66 -0.483 -16.273 -0.119 1.00 0.00 C ATOM 1014 CZ TYR A 66 -1.559 -16.153 -0.974 1.00 0.00 C ATOM 1015 OH TYR A 66 -2.266 -17.273 -1.345 1.00 0.00 O ATOM 0 H TYR A 66 1.571 -10.419 0.672 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.966 -11.302 -0.230 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.306 -12.363 -0.629 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.286 -12.906 1.037 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.510 -12.826 -1.460 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.066 -15.244 0.921 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.774 -14.823 -2.124 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.195 -17.243 0.258 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.874 -18.063 -0.919 1.00 0.00 H new ATOM 1025 N GLU A 67 -0.279 -11.756 2.973 1.00 0.00 N ATOM 1026 CA GLU A 67 -0.883 -12.031 4.272 1.00 0.00 C ATOM 1027 C GLU A 67 -2.274 -11.411 4.367 1.00 0.00 C ATOM 1028 O GLU A 67 -3.199 -12.017 4.907 1.00 0.00 O ATOM 1029 CB GLU A 67 0.006 -11.494 5.396 1.00 0.00 C ATOM 1030 CG GLU A 67 1.160 -12.415 5.751 1.00 0.00 C ATOM 1031 CD GLU A 67 2.093 -11.810 6.783 1.00 0.00 C ATOM 1032 OE1 GLU A 67 1.778 -11.896 7.989 1.00 0.00 O ATOM 1033 OE2 GLU A 67 3.136 -11.251 6.385 1.00 0.00 O ATOM 0 H GLU A 67 0.720 -11.553 3.006 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.978 -13.112 4.379 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.404 -10.523 5.101 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.604 -11.331 6.284 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.765 -13.357 6.132 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.725 -12.648 4.848 1.00 0.00 H new ATOM 1040 N ILE A 68 -2.412 -10.199 3.840 1.00 0.00 N ATOM 1041 CA ILE A 68 -3.689 -9.497 3.865 1.00 0.00 C ATOM 1042 C ILE A 68 -4.711 -10.180 2.963 1.00 0.00 C ATOM 1043 O ILE A 68 -5.803 -10.540 3.404 1.00 0.00 O ATOM 1044 CB ILE A 68 -3.534 -8.029 3.425 1.00 0.00 C ATOM 1045 CG1 ILE A 68 -2.637 -7.272 4.408 1.00 0.00 C ATOM 1046 CG2 ILE A 68 -4.896 -7.360 3.320 1.00 0.00 C ATOM 1047 CD1 ILE A 68 -2.019 -6.022 3.821 1.00 0.00 C ATOM 0 H ILE A 68 -1.655 -9.683 3.391 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.042 -9.524 4.896 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.064 -8.008 2.442 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.222 -7.000 5.286 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.842 -7.936 4.747 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.769 -6.323 3.008 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.505 -7.888 2.586 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.391 -7.389 4.291 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.396 -5.536 4.573 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.407 -6.289 2.960 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.808 -5.339 3.507 1.00 0.00 H new ATOM 1059 N LEU A 69 -4.348 -10.359 1.697 1.00 0.00 N ATOM 1060 CA LEU A 69 -5.232 -11.002 0.731 1.00 0.00 C ATOM 1061 C LEU A 69 -5.387 -12.488 1.040 1.00 0.00 C ATOM 1062 O LEU A 69 -6.488 -12.962 1.321 1.00 0.00 O ATOM 1063 CB LEU A 69 -4.690 -10.818 -0.687 1.00 0.00 C ATOM 1064 CG LEU A 69 -4.391 -9.379 -1.111 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -3.542 -9.359 -2.372 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -5.685 -8.607 -1.324 1.00 0.00 C ATOM 0 H LEU A 69 -3.448 -10.068 1.316 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.212 -10.531 0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.774 -11.401 -0.783 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.411 -11.239 -1.387 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.829 -8.894 -0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.340 -8.327 -2.658 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.600 -9.875 -2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.077 -9.861 -3.179 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.454 -7.585 -1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.273 -9.091 -2.104 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.256 -8.591 -0.396 1.00 0.00 H new ATOM 1078 N SER A 70 -4.277 -13.217 0.987 1.00 0.00 N ATOM 1079 CA SER A 70 -4.290 -14.649 1.260 1.00 0.00 C ATOM 1080 C SER A 70 -5.295 -14.984 2.358 1.00 0.00 C ATOM 1081 O SER A 70 -5.973 -16.009 2.302 1.00 0.00 O ATOM 1082 CB SER A 70 -2.894 -15.125 1.668 1.00 0.00 C ATOM 1083 OG SER A 70 -2.522 -14.592 2.927 1.00 0.00 O ATOM 0 H SER A 70 -3.358 -12.840 0.758 1.00 0.00 H new ATOM 0 HA SER A 70 -4.590 -15.165 0.348 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.876 -16.214 1.711 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.168 -14.823 0.913 1.00 0.00 H new ATOM 0 HG SER A 70 -2.445 -13.617 2.860 1.00 0.00 H new ATOM 1089 N ASN A 71 -5.384 -14.112 3.357 1.00 0.00 N ATOM 1090 CA ASN A 71 -6.305 -14.314 4.469 1.00 0.00 C ATOM 1091 C ASN A 71 -7.719 -13.887 4.089 1.00 0.00 C ATOM 1092 O ASN A 71 -7.908 -12.923 3.347 1.00 0.00 O ATOM 1093 CB ASN A 71 -5.835 -13.530 5.696 1.00 0.00 C ATOM 1094 CG ASN A 71 -4.907 -14.341 6.580 1.00 0.00 C ATOM 1095 OD1 ASN A 71 -5.049 -15.558 6.697 1.00 0.00 O ATOM 1096 ND2 ASN A 71 -3.950 -13.667 7.207 1.00 0.00 N ATOM 0 H ASN A 71 -4.829 -13.258 3.419 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.318 -15.377 4.709 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -5.323 -12.624 5.371 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.702 -13.215 6.277 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.295 -14.158 7.815 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.870 -12.658 7.080 1.00 0.00 H new ATOM 1103 N GLU A 72 -8.709 -14.610 4.603 1.00 0.00 N ATOM 1104 CA GLU A 72 -10.106 -14.305 4.317 1.00 0.00 C ATOM 1105 C GLU A 72 -10.598 -13.148 5.181 1.00 0.00 C ATOM 1106 O GLU A 72 -11.284 -12.248 4.698 1.00 0.00 O ATOM 1107 CB GLU A 72 -10.979 -15.539 4.553 1.00 0.00 C ATOM 1108 CG GLU A 72 -10.938 -16.049 5.983 1.00 0.00 C ATOM 1109 CD GLU A 72 -11.230 -17.534 6.082 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -10.394 -18.335 5.613 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -12.293 -17.896 6.627 1.00 0.00 O ATOM 0 H GLU A 72 -8.570 -15.411 5.219 1.00 0.00 H new ATOM 0 HA GLU A 72 -10.180 -14.011 3.270 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -12.010 -15.300 4.291 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.656 -16.336 3.883 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.955 -15.847 6.409 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.664 -15.499 6.582 1.00 0.00 H new ATOM 1118 N GLU A 73 -10.242 -13.180 6.462 1.00 0.00 N ATOM 1119 CA GLU A 73 -10.649 -12.134 7.393 1.00 0.00 C ATOM 1120 C GLU A 73 -10.070 -10.784 6.981 1.00 0.00 C ATOM 1121 O GLU A 73 -10.798 -9.801 6.838 1.00 0.00 O ATOM 1122 CB GLU A 73 -10.199 -12.483 8.813 1.00 0.00 C ATOM 1123 CG GLU A 73 -10.974 -13.633 9.433 1.00 0.00 C ATOM 1124 CD GLU A 73 -10.899 -13.639 10.947 1.00 0.00 C ATOM 1125 OE1 GLU A 73 -9.806 -13.911 11.485 1.00 0.00 O ATOM 1126 OE2 GLU A 73 -11.933 -13.371 11.594 1.00 0.00 O ATOM 0 H GLU A 73 -9.674 -13.918 6.878 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.737 -12.065 7.371 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -9.139 -12.737 8.797 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.306 -11.602 9.446 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.018 -13.570 9.125 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.585 -14.576 9.050 1.00 0.00 H new ATOM 1133 N LYS A 74 -8.756 -10.742 6.793 1.00 0.00 N ATOM 1134 CA LYS A 74 -8.077 -9.514 6.397 1.00 0.00 C ATOM 1135 C LYS A 74 -8.621 -8.995 5.070 1.00 0.00 C ATOM 1136 O LYS A 74 -9.167 -7.894 5.000 1.00 0.00 O ATOM 1137 CB LYS A 74 -6.570 -9.753 6.284 1.00 0.00 C ATOM 1138 CG LYS A 74 -5.915 -10.138 7.600 1.00 0.00 C ATOM 1139 CD LYS A 74 -4.426 -10.388 7.429 1.00 0.00 C ATOM 1140 CE LYS A 74 -3.641 -9.086 7.407 1.00 0.00 C ATOM 1141 NZ LYS A 74 -2.265 -9.277 6.869 1.00 0.00 N ATOM 0 H LYS A 74 -8.139 -11.546 6.909 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.263 -8.763 7.165 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.389 -10.542 5.553 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.095 -8.849 5.902 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.070 -9.344 8.331 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.392 -11.034 7.997 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.066 -11.017 8.243 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.252 -10.935 6.502 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.170 -8.353 6.798 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.583 -8.680 8.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.768 -8.364 6.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.745 -9.944 7.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.320 -9.657 5.902 1.00 0.00 H new ATOM 1155 N ARG A 75 -8.469 -9.796 4.020 1.00 0.00 N ATOM 1156 CA ARG A 75 -8.945 -9.417 2.695 1.00 0.00 C ATOM 1157 C ARG A 75 -10.336 -8.794 2.775 1.00 0.00 C ATOM 1158 O ARG A 75 -10.559 -7.683 2.293 1.00 0.00 O ATOM 1159 CB ARG A 75 -8.974 -10.637 1.772 1.00 0.00 C ATOM 1160 CG ARG A 75 -9.041 -10.283 0.296 1.00 0.00 C ATOM 1161 CD ARG A 75 -9.755 -11.361 -0.504 1.00 0.00 C ATOM 1162 NE ARG A 75 -11.199 -11.336 -0.290 1.00 0.00 N ATOM 1163 CZ ARG A 75 -12.076 -11.882 -1.125 1.00 0.00 C ATOM 1164 NH1 ARG A 75 -11.657 -12.494 -2.224 1.00 0.00 N ATOM 1165 NH2 ARG A 75 -13.375 -11.819 -0.860 1.00 0.00 N ATOM 0 H ARG A 75 -8.020 -10.711 4.061 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.257 -8.677 2.287 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -8.084 -11.239 1.952 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.834 -11.255 2.028 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.560 -9.333 0.172 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.032 -10.148 -0.093 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -9.543 -11.225 -1.565 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -9.364 -12.339 -0.224 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.554 -10.874 0.547 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.659 -12.546 -2.430 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.332 -12.913 -2.864 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.701 -11.351 -0.014 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.047 -12.239 -1.502 1.00 0.00 H new ATOM 1179 N THR A 76 -11.269 -9.517 3.386 1.00 0.00 N ATOM 1180 CA THR A 76 -12.638 -9.036 3.528 1.00 0.00 C ATOM 1181 C THR A 76 -12.685 -7.742 4.332 1.00 0.00 C ATOM 1182 O THR A 76 -13.274 -6.753 3.899 1.00 0.00 O ATOM 1183 CB THR A 76 -13.534 -10.086 4.212 1.00 0.00 C ATOM 1184 OG1 THR A 76 -13.506 -11.311 3.471 1.00 0.00 O ATOM 1185 CG2 THR A 76 -14.966 -9.586 4.321 1.00 0.00 C ATOM 0 H THR A 76 -11.102 -10.438 3.791 1.00 0.00 H new ATOM 0 HA THR A 76 -13.014 -8.849 2.522 1.00 0.00 H new ATOM 0 HB THR A 76 -13.149 -10.261 5.217 1.00 0.00 H new ATOM 0 HG1 THR A 76 -12.830 -11.909 3.853 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.580 -10.344 4.807 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.987 -8.669 4.910 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.358 -9.386 3.324 1.00 0.00 H new