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 66 TYR OH : rot 15:sc= 0 USER MOD Set 1.2: A 70 SER OG : rot 98:sc= 0.233 USER MOD Set 2.1: A 38 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= -1.67 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= -0.046 USER MOD Single : A 31 GLN : amide:sc= -0.433 X(o=-0.43,f=-0.51) USER MOD Single : A 35 LYS NZ :NH3+ 158:sc= -0.0805 (180deg=-0.514) 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+ -112:sc= 0.0566 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -4.39! C(o=-4.4!,f=-3.8!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.012) 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=-0.19) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 74 LYS NZ :NH3+ 162:sc= -0.011 (180deg=-0.183) USER MOD Single : A 76 THR OG1 : rot 68:sc= 0.00743 USER MOD ----------------------------------------------------------------- ATOM 191 N ASP A 16 -1.037 2.970 3.509 1.00 0.00 N ATOM 192 CA ASP A 16 0.406 3.006 3.303 1.00 0.00 C ATOM 193 C ASP A 16 0.782 2.359 1.974 1.00 0.00 C ATOM 194 O ASP A 16 1.491 2.952 1.161 1.00 0.00 O ATOM 195 CB ASP A 16 1.125 2.296 4.451 1.00 0.00 C ATOM 196 CG ASP A 16 0.802 2.906 5.801 1.00 0.00 C ATOM 197 OD1 ASP A 16 0.785 4.151 5.900 1.00 0.00 O ATOM 198 OD2 ASP A 16 0.568 2.140 6.759 1.00 0.00 O ATOM 0 HA ASP A 16 0.718 4.050 3.279 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.845 1.243 4.455 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.201 2.339 4.284 1.00 0.00 H new ATOM 203 N PHE A 17 0.302 1.138 1.760 1.00 0.00 N ATOM 204 CA PHE A 17 0.589 0.409 0.530 1.00 0.00 C ATOM 205 C PHE A 17 -0.544 -0.557 0.193 1.00 0.00 C ATOM 206 O PHE A 17 -1.228 -1.063 1.083 1.00 0.00 O ATOM 207 CB PHE A 17 1.906 -0.359 0.663 1.00 0.00 C ATOM 208 CG PHE A 17 1.828 -1.524 1.607 1.00 0.00 C ATOM 209 CD1 PHE A 17 1.087 -2.649 1.281 1.00 0.00 C ATOM 210 CD2 PHE A 17 2.496 -1.495 2.821 1.00 0.00 C ATOM 211 CE1 PHE A 17 1.013 -3.722 2.148 1.00 0.00 C ATOM 212 CE2 PHE A 17 2.426 -2.566 3.692 1.00 0.00 C ATOM 213 CZ PHE A 17 1.684 -3.681 3.355 1.00 0.00 C ATOM 0 H PHE A 17 -0.287 0.633 2.422 1.00 0.00 H new ATOM 0 HA PHE A 17 0.678 1.133 -0.280 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.209 -0.718 -0.321 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.683 0.325 1.006 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.561 -2.687 0.338 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.078 -0.626 3.090 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.431 -4.592 1.882 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.951 -2.531 4.635 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.628 -4.519 4.034 1.00 0.00 H new ATOM 223 N ASP A 18 -0.736 -0.806 -1.098 1.00 0.00 N ATOM 224 CA ASP A 18 -1.785 -1.711 -1.553 1.00 0.00 C ATOM 225 C ASP A 18 -1.237 -3.120 -1.757 1.00 0.00 C ATOM 226 O ASP A 18 -0.100 -3.314 -2.187 1.00 0.00 O ATOM 227 CB ASP A 18 -2.401 -1.197 -2.856 1.00 0.00 C ATOM 228 CG ASP A 18 -3.475 -0.154 -2.616 1.00 0.00 C ATOM 229 OD1 ASP A 18 -4.598 -0.538 -2.227 1.00 0.00 O ATOM 230 OD2 ASP A 18 -3.192 1.045 -2.817 1.00 0.00 O ATOM 0 H ASP A 18 -0.179 -0.394 -1.847 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.557 -1.749 -0.784 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.617 -0.770 -3.482 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.828 -2.034 -3.408 1.00 0.00 H new ATOM 235 N PRO A 19 -2.063 -4.128 -1.440 1.00 0.00 N ATOM 236 CA PRO A 19 -1.682 -5.537 -1.579 1.00 0.00 C ATOM 237 C PRO A 19 -1.563 -5.964 -3.038 1.00 0.00 C ATOM 238 O PRO A 19 -0.588 -6.606 -3.429 1.00 0.00 O ATOM 239 CB PRO A 19 -2.830 -6.284 -0.895 1.00 0.00 C ATOM 240 CG PRO A 19 -3.996 -5.362 -0.999 1.00 0.00 C ATOM 241 CD PRO A 19 -3.432 -3.970 -0.922 1.00 0.00 C ATOM 0 HA PRO A 19 -0.704 -5.740 -1.143 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.032 -7.235 -1.387 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.593 -6.507 0.145 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.532 -5.515 -1.936 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.707 -5.540 -0.192 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.011 -3.268 -1.523 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.434 -3.592 0.100 1.00 0.00 H new ATOM 249 N TYR A 20 -2.559 -5.603 -3.838 1.00 0.00 N ATOM 250 CA TYR A 20 -2.566 -5.950 -5.254 1.00 0.00 C ATOM 251 C TYR A 20 -1.370 -5.332 -5.973 1.00 0.00 C ATOM 252 O TYR A 20 -0.735 -5.975 -6.809 1.00 0.00 O ATOM 253 CB TYR A 20 -3.867 -5.482 -5.910 1.00 0.00 C ATOM 254 CG TYR A 20 -5.082 -6.268 -5.473 1.00 0.00 C ATOM 255 CD1 TYR A 20 -5.425 -7.460 -6.099 1.00 0.00 C ATOM 256 CD2 TYR A 20 -5.887 -5.820 -4.432 1.00 0.00 C ATOM 257 CE1 TYR A 20 -6.535 -8.181 -5.704 1.00 0.00 C ATOM 258 CE2 TYR A 20 -6.998 -6.535 -4.029 1.00 0.00 C ATOM 259 CZ TYR A 20 -7.318 -7.715 -4.668 1.00 0.00 C ATOM 260 OH TYR A 20 -8.423 -8.431 -4.271 1.00 0.00 O ATOM 0 H TYR A 20 -3.372 -5.070 -3.530 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.495 -7.035 -5.336 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.023 -4.429 -5.677 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.766 -5.558 -6.993 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.813 -7.829 -6.909 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.639 -4.897 -3.929 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -6.789 -9.104 -6.203 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -7.613 -6.172 -3.218 1.00 0.00 H new ATOM 0 HH TYR A 20 -8.864 -7.967 -3.529 1.00 0.00 H new ATOM 270 N ARG A 21 -1.070 -4.081 -5.640 1.00 0.00 N ATOM 271 CA ARG A 21 0.048 -3.375 -6.253 1.00 0.00 C ATOM 272 C ARG A 21 1.375 -4.027 -5.876 1.00 0.00 C ATOM 273 O ARG A 21 2.250 -4.213 -6.721 1.00 0.00 O ATOM 274 CB ARG A 21 0.049 -1.907 -5.824 1.00 0.00 C ATOM 275 CG ARG A 21 -1.243 -1.176 -6.152 1.00 0.00 C ATOM 276 CD ARG A 21 -1.217 -0.603 -7.561 1.00 0.00 C ATOM 277 NE ARG A 21 -1.190 -1.651 -8.577 1.00 0.00 N ATOM 278 CZ ARG A 21 -0.735 -1.466 -9.812 1.00 0.00 C ATOM 279 NH1 ARG A 21 -0.271 -0.280 -10.180 1.00 0.00 N ATOM 280 NH2 ARG A 21 -0.743 -2.469 -10.680 1.00 0.00 N ATOM 0 H ARG A 21 -1.586 -3.536 -4.949 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.070 -3.430 -7.335 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.226 -1.851 -4.750 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.880 -1.396 -6.311 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.085 -1.861 -6.052 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.399 -0.371 -5.434 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.094 0.026 -7.713 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.342 0.036 -7.676 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.539 -2.576 -8.325 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.263 0.493 -9.515 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.078 -0.141 -11.128 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.099 -3.383 -10.400 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.394 -2.326 -11.628 1.00 0.00 H new ATOM 294 N VAL A 22 1.518 -4.371 -4.600 1.00 0.00 N ATOM 295 CA VAL A 22 2.737 -5.002 -4.110 1.00 0.00 C ATOM 296 C VAL A 22 3.023 -6.299 -4.858 1.00 0.00 C ATOM 297 O VAL A 22 4.097 -6.472 -5.436 1.00 0.00 O ATOM 298 CB VAL A 22 2.648 -5.301 -2.601 1.00 0.00 C ATOM 299 CG1 VAL A 22 3.815 -6.171 -2.159 1.00 0.00 C ATOM 300 CG2 VAL A 22 2.605 -4.006 -1.804 1.00 0.00 C ATOM 0 H VAL A 22 0.804 -4.223 -3.887 1.00 0.00 H new ATOM 0 HA VAL A 22 3.550 -4.298 -4.285 1.00 0.00 H new ATOM 0 HB VAL A 22 1.725 -5.849 -2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.735 -6.372 -1.091 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.795 -7.113 -2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.752 -5.653 -2.362 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.542 -4.235 -0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.509 -3.429 -1.998 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.733 -3.424 -2.102 1.00 0.00 H new ATOM 310 N LEU A 23 2.056 -7.209 -4.844 1.00 0.00 N ATOM 311 CA LEU A 23 2.202 -8.493 -5.522 1.00 0.00 C ATOM 312 C LEU A 23 2.300 -8.303 -7.032 1.00 0.00 C ATOM 313 O LEU A 23 2.922 -9.102 -7.730 1.00 0.00 O ATOM 314 CB LEU A 23 1.023 -9.407 -5.186 1.00 0.00 C ATOM 315 CG LEU A 23 1.052 -10.062 -3.805 1.00 0.00 C ATOM 316 CD1 LEU A 23 -0.191 -10.911 -3.590 1.00 0.00 C ATOM 317 CD2 LEU A 23 2.310 -10.902 -3.640 1.00 0.00 C ATOM 0 H LEU A 23 1.162 -7.082 -4.370 1.00 0.00 H new ATOM 0 HA LEU A 23 3.124 -8.958 -5.173 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.104 -8.827 -5.271 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.974 -10.194 -5.938 1.00 0.00 H new ATOM 0 HG LEU A 23 1.063 -9.275 -3.051 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.152 -11.369 -2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.078 -10.282 -3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.235 -11.691 -4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.314 -11.361 -2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.330 -11.681 -4.402 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.189 -10.266 -3.749 1.00 0.00 H new ATOM 329 N GLY A 24 1.682 -7.236 -7.530 1.00 0.00 N ATOM 330 CA GLY A 24 1.713 -6.959 -8.955 1.00 0.00 C ATOM 331 C GLY A 24 0.555 -7.599 -9.695 1.00 0.00 C ATOM 332 O GLY A 24 0.724 -8.111 -10.802 1.00 0.00 O ATOM 0 H GLY A 24 1.161 -6.559 -6.973 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.690 -5.881 -9.113 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.652 -7.322 -9.372 1.00 0.00 H new ATOM 336 N VAL A 25 -0.624 -7.573 -9.083 1.00 0.00 N ATOM 337 CA VAL A 25 -1.815 -8.156 -9.691 1.00 0.00 C ATOM 338 C VAL A 25 -2.981 -7.174 -9.665 1.00 0.00 C ATOM 339 O VAL A 25 -2.879 -6.087 -9.098 1.00 0.00 O ATOM 340 CB VAL A 25 -2.233 -9.453 -8.974 1.00 0.00 C ATOM 341 CG1 VAL A 25 -1.408 -10.629 -9.473 1.00 0.00 C ATOM 342 CG2 VAL A 25 -2.096 -9.296 -7.467 1.00 0.00 C ATOM 0 H VAL A 25 -0.781 -7.154 -8.166 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.562 -8.388 -10.726 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.280 -9.652 -9.202 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.718 -11.537 -8.955 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.562 -10.753 -10.545 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.352 -10.442 -9.277 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.396 -10.222 -6.976 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.059 -9.072 -7.217 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.735 -8.481 -7.126 1.00 0.00 H new ATOM 352 N SER A 26 -4.091 -7.567 -10.283 1.00 0.00 N ATOM 353 CA SER A 26 -5.277 -6.720 -10.334 1.00 0.00 C ATOM 354 C SER A 26 -6.433 -7.358 -9.568 1.00 0.00 C ATOM 355 O SER A 26 -6.335 -8.497 -9.111 1.00 0.00 O ATOM 356 CB SER A 26 -5.689 -6.470 -11.786 1.00 0.00 C ATOM 357 OG SER A 26 -6.320 -5.209 -11.927 1.00 0.00 O ATOM 0 H SER A 26 -4.193 -8.466 -10.755 1.00 0.00 H new ATOM 0 HA SER A 26 -5.034 -5.767 -9.864 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.810 -6.514 -12.429 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.366 -7.258 -12.116 1.00 0.00 H new ATOM 0 HG SER A 26 -6.572 -5.072 -12.864 1.00 0.00 H new ATOM 363 N ARG A 27 -7.526 -6.615 -9.433 1.00 0.00 N ATOM 364 CA ARG A 27 -8.701 -7.106 -8.723 1.00 0.00 C ATOM 365 C ARG A 27 -9.195 -8.416 -9.329 1.00 0.00 C ATOM 366 O ARG A 27 -9.763 -9.260 -8.634 1.00 0.00 O ATOM 367 CB ARG A 27 -9.818 -6.062 -8.759 1.00 0.00 C ATOM 368 CG ARG A 27 -10.223 -5.651 -10.165 1.00 0.00 C ATOM 369 CD ARG A 27 -11.510 -4.841 -10.160 1.00 0.00 C ATOM 370 NE ARG A 27 -11.984 -4.558 -11.512 1.00 0.00 N ATOM 371 CZ ARG A 27 -11.378 -3.715 -12.341 1.00 0.00 C ATOM 372 NH1 ARG A 27 -10.281 -3.076 -11.958 1.00 0.00 N ATOM 373 NH2 ARG A 27 -11.870 -3.509 -13.556 1.00 0.00 N ATOM 0 H ARG A 27 -7.623 -5.671 -9.806 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.418 -7.289 -7.687 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.691 -6.458 -8.240 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -9.495 -5.178 -8.210 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -9.424 -5.064 -10.618 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -10.354 -6.540 -10.782 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -12.279 -5.386 -9.613 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -11.346 -3.903 -9.630 1.00 0.00 H new ATOM 0 HE ARG A 27 -12.826 -5.033 -11.837 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.900 -3.231 -11.025 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.818 -2.429 -12.597 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -12.714 -3.998 -13.854 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.404 -2.862 -14.192 1.00 0.00 H new ATOM 387 N THR A 28 -8.975 -8.581 -10.630 1.00 0.00 N ATOM 388 CA THR A 28 -9.398 -9.787 -11.330 1.00 0.00 C ATOM 389 C THR A 28 -8.613 -11.003 -10.854 1.00 0.00 C ATOM 390 O THR A 28 -9.052 -12.141 -11.021 1.00 0.00 O ATOM 391 CB THR A 28 -9.225 -9.641 -12.854 1.00 0.00 C ATOM 392 OG1 THR A 28 -7.846 -9.426 -13.172 1.00 0.00 O ATOM 393 CG2 THR A 28 -10.060 -8.486 -13.385 1.00 0.00 C ATOM 0 H THR A 28 -8.506 -7.894 -11.220 1.00 0.00 H new ATOM 0 HA THR A 28 -10.455 -9.930 -11.104 1.00 0.00 H new ATOM 0 HB THR A 28 -9.566 -10.562 -13.326 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.744 -9.336 -14.143 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.922 -8.402 -14.463 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.112 -8.668 -13.167 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.745 -7.559 -12.906 1.00 0.00 H new ATOM 401 N ALA A 29 -7.450 -10.756 -10.260 1.00 0.00 N ATOM 402 CA ALA A 29 -6.605 -11.832 -9.758 1.00 0.00 C ATOM 403 C ALA A 29 -7.310 -12.614 -8.655 1.00 0.00 C ATOM 404 O ALA A 29 -7.828 -12.033 -7.702 1.00 0.00 O ATOM 405 CB ALA A 29 -5.285 -11.272 -9.249 1.00 0.00 C ATOM 0 H ALA A 29 -7.072 -9.820 -10.115 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.403 -12.517 -10.581 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.664 -12.087 -8.877 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.768 -10.763 -10.062 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.477 -10.564 -8.442 1.00 0.00 H new ATOM 411 N SER A 30 -7.326 -13.936 -8.792 1.00 0.00 N ATOM 412 CA SER A 30 -7.972 -14.799 -7.809 1.00 0.00 C ATOM 413 C SER A 30 -6.934 -15.530 -6.963 1.00 0.00 C ATOM 414 O SER A 30 -5.753 -15.567 -7.306 1.00 0.00 O ATOM 415 CB SER A 30 -8.882 -15.811 -8.507 1.00 0.00 C ATOM 416 OG SER A 30 -9.656 -16.534 -7.566 1.00 0.00 O ATOM 0 H SER A 30 -6.899 -14.433 -9.574 1.00 0.00 H new ATOM 0 HA SER A 30 -8.575 -14.172 -7.152 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.541 -15.293 -9.203 1.00 0.00 H new ATOM 0 HB3 SER A 30 -8.279 -16.503 -9.095 1.00 0.00 H new ATOM 0 HG SER A 30 -10.231 -17.173 -8.037 1.00 0.00 H new ATOM 422 N GLN A 31 -7.385 -16.110 -5.855 1.00 0.00 N ATOM 423 CA GLN A 31 -6.496 -16.839 -4.959 1.00 0.00 C ATOM 424 C GLN A 31 -5.413 -17.572 -5.744 1.00 0.00 C ATOM 425 O GLN A 31 -4.280 -17.704 -5.283 1.00 0.00 O ATOM 426 CB GLN A 31 -7.293 -17.835 -4.115 1.00 0.00 C ATOM 427 CG GLN A 31 -7.983 -17.203 -2.917 1.00 0.00 C ATOM 428 CD GLN A 31 -7.001 -16.667 -1.894 1.00 0.00 C ATOM 429 OE1 GLN A 31 -6.285 -17.430 -1.245 1.00 0.00 O ATOM 430 NE2 GLN A 31 -6.963 -15.348 -1.744 1.00 0.00 N ATOM 0 H GLN A 31 -8.360 -16.089 -5.557 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.015 -16.117 -4.299 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.043 -18.314 -4.745 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.623 -18.620 -3.765 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.625 -16.391 -3.259 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.629 -17.942 -2.443 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.575 -14.753 -2.303 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.322 -14.930 -1.070 1.00 0.00 H new ATOM 439 N ALA A 32 -5.770 -18.047 -6.932 1.00 0.00 N ATOM 440 CA ALA A 32 -4.828 -18.765 -7.782 1.00 0.00 C ATOM 441 C ALA A 32 -3.726 -17.839 -8.285 1.00 0.00 C ATOM 442 O ALA A 32 -2.548 -18.045 -7.993 1.00 0.00 O ATOM 443 CB ALA A 32 -5.558 -19.406 -8.954 1.00 0.00 C ATOM 0 H ALA A 32 -6.705 -17.948 -7.328 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.362 -19.549 -7.185 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.843 -19.939 -9.581 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.304 -20.106 -8.579 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.051 -18.632 -9.543 1.00 0.00 H new ATOM 449 N ASP A 33 -4.116 -16.820 -9.043 1.00 0.00 N ATOM 450 CA ASP A 33 -3.161 -15.862 -9.586 1.00 0.00 C ATOM 451 C ASP A 33 -2.322 -15.240 -8.474 1.00 0.00 C ATOM 452 O ASP A 33 -1.109 -15.083 -8.613 1.00 0.00 O ATOM 453 CB ASP A 33 -3.892 -14.766 -10.364 1.00 0.00 C ATOM 454 CG ASP A 33 -2.937 -13.816 -11.060 1.00 0.00 C ATOM 455 OD1 ASP A 33 -1.758 -14.186 -11.243 1.00 0.00 O ATOM 456 OD2 ASP A 33 -3.369 -12.702 -11.423 1.00 0.00 O ATOM 0 H ASP A 33 -5.087 -16.636 -9.295 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.495 -16.396 -10.264 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.547 -15.225 -11.104 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.528 -14.202 -9.681 1.00 0.00 H new ATOM 461 N ILE A 34 -2.977 -14.889 -7.373 1.00 0.00 N ATOM 462 CA ILE A 34 -2.291 -14.285 -6.237 1.00 0.00 C ATOM 463 C ILE A 34 -1.295 -15.257 -5.615 1.00 0.00 C ATOM 464 O ILE A 34 -0.110 -14.950 -5.483 1.00 0.00 O ATOM 465 CB ILE A 34 -3.288 -13.827 -5.156 1.00 0.00 C ATOM 466 CG1 ILE A 34 -4.357 -12.920 -5.768 1.00 0.00 C ATOM 467 CG2 ILE A 34 -2.556 -13.109 -4.031 1.00 0.00 C ATOM 468 CD1 ILE A 34 -5.596 -12.784 -4.911 1.00 0.00 C ATOM 0 H ILE A 34 -3.981 -15.012 -7.243 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.756 -13.415 -6.618 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.780 -14.706 -4.740 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.930 -11.931 -5.936 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.641 -13.314 -6.744 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.274 -12.791 -3.275 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.829 -13.785 -3.580 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.040 -12.236 -4.431 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.311 -12.127 -5.407 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.047 -13.766 -4.764 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.325 -12.361 -3.944 1.00 0.00 H new ATOM 480 N LYS A 35 -1.783 -16.434 -5.237 1.00 0.00 N ATOM 481 CA LYS A 35 -0.936 -17.455 -4.632 1.00 0.00 C ATOM 482 C LYS A 35 0.246 -17.789 -5.537 1.00 0.00 C ATOM 483 O LYS A 35 1.305 -18.204 -5.066 1.00 0.00 O ATOM 484 CB LYS A 35 -1.749 -18.720 -4.350 1.00 0.00 C ATOM 485 CG LYS A 35 -0.958 -19.807 -3.644 1.00 0.00 C ATOM 486 CD LYS A 35 -1.586 -21.176 -3.848 1.00 0.00 C ATOM 487 CE LYS A 35 -1.318 -21.709 -5.247 1.00 0.00 C ATOM 488 NZ LYS A 35 0.137 -21.907 -5.496 1.00 0.00 N ATOM 0 H LYS A 35 -2.761 -16.704 -5.339 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.551 -17.061 -3.692 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.614 -18.458 -3.740 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.131 -19.114 -5.292 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.065 -19.816 -4.019 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.905 -19.585 -2.578 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.189 -21.873 -3.110 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.661 -21.113 -3.681 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.842 -22.656 -5.381 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.721 -21.014 -5.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.267 -22.592 -6.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.570 -21.000 -5.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.591 -22.268 -4.633 1.00 0.00 H new ATOM 502 N LYS A 36 0.058 -17.603 -6.839 1.00 0.00 N ATOM 503 CA LYS A 36 1.109 -17.882 -7.811 1.00 0.00 C ATOM 504 C LYS A 36 2.034 -16.680 -7.971 1.00 0.00 C ATOM 505 O LYS A 36 3.241 -16.834 -8.154 1.00 0.00 O ATOM 506 CB LYS A 36 0.495 -18.249 -9.164 1.00 0.00 C ATOM 507 CG LYS A 36 1.435 -18.031 -10.338 1.00 0.00 C ATOM 508 CD LYS A 36 0.694 -18.084 -11.663 1.00 0.00 C ATOM 509 CE LYS A 36 0.703 -19.487 -12.250 1.00 0.00 C ATOM 510 NZ LYS A 36 -0.494 -19.741 -13.099 1.00 0.00 N ATOM 0 H LYS A 36 -0.812 -17.260 -7.246 1.00 0.00 H new ATOM 0 HA LYS A 36 1.696 -18.724 -7.444 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.190 -19.295 -9.143 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.407 -17.657 -9.317 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.929 -17.065 -10.235 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.216 -18.791 -10.326 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.335 -17.755 -11.519 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.155 -17.391 -12.367 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.606 -19.626 -12.844 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.737 -20.218 -11.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.450 -20.708 -13.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.355 -19.633 -12.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.513 -19.060 -13.884 1.00 0.00 H new ATOM 524 N ALA A 37 1.461 -15.483 -7.899 1.00 0.00 N ATOM 525 CA ALA A 37 2.236 -14.256 -8.032 1.00 0.00 C ATOM 526 C ALA A 37 3.074 -13.998 -6.784 1.00 0.00 C ATOM 527 O ALA A 37 4.090 -13.304 -6.840 1.00 0.00 O ATOM 528 CB ALA A 37 1.313 -13.076 -8.303 1.00 0.00 C ATOM 0 H ALA A 37 0.463 -15.337 -7.749 1.00 0.00 H new ATOM 0 HA ALA A 37 2.915 -14.374 -8.876 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.905 -12.166 -8.400 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.761 -13.250 -9.227 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.611 -12.966 -7.476 1.00 0.00 H new ATOM 534 N TYR A 38 2.643 -14.560 -5.661 1.00 0.00 N ATOM 535 CA TYR A 38 3.353 -14.388 -4.399 1.00 0.00 C ATOM 536 C TYR A 38 4.616 -15.244 -4.363 1.00 0.00 C ATOM 537 O TYR A 38 5.732 -14.725 -4.356 1.00 0.00 O ATOM 538 CB TYR A 38 2.444 -14.753 -3.224 1.00 0.00 C ATOM 539 CG TYR A 38 3.192 -15.266 -2.015 1.00 0.00 C ATOM 540 CD1 TYR A 38 3.722 -14.388 -1.077 1.00 0.00 C ATOM 541 CD2 TYR A 38 3.370 -16.629 -1.810 1.00 0.00 C ATOM 542 CE1 TYR A 38 4.407 -14.852 0.029 1.00 0.00 C ATOM 543 CE2 TYR A 38 4.053 -17.102 -0.707 1.00 0.00 C ATOM 544 CZ TYR A 38 4.570 -16.210 0.210 1.00 0.00 C ATOM 545 OH TYR A 38 5.251 -16.677 1.311 1.00 0.00 O ATOM 0 H TYR A 38 1.805 -15.139 -5.598 1.00 0.00 H new ATOM 0 HA TYR A 38 3.642 -13.341 -4.315 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.866 -13.875 -2.937 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.732 -15.512 -3.549 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.596 -13.324 -1.215 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.967 -17.330 -2.526 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.813 -14.156 0.748 1.00 0.00 H new ATOM 0 HE2 TYR A 38 4.182 -18.165 -0.563 1.00 0.00 H new ATOM 0 HH TYR A 38 5.276 -17.656 1.289 1.00 0.00 H new ATOM 555 N LYS A 39 4.431 -16.559 -4.342 1.00 0.00 N ATOM 556 CA LYS A 39 5.553 -17.490 -4.310 1.00 0.00 C ATOM 557 C LYS A 39 6.623 -17.088 -5.320 1.00 0.00 C ATOM 558 O LYS A 39 7.814 -17.085 -5.011 1.00 0.00 O ATOM 559 CB LYS A 39 5.071 -18.913 -4.601 1.00 0.00 C ATOM 560 CG LYS A 39 4.669 -19.685 -3.356 1.00 0.00 C ATOM 561 CD LYS A 39 3.656 -20.771 -3.676 1.00 0.00 C ATOM 562 CE LYS A 39 3.786 -21.952 -2.726 1.00 0.00 C ATOM 563 NZ LYS A 39 3.206 -23.196 -3.304 1.00 0.00 N ATOM 0 H LYS A 39 3.514 -17.005 -4.347 1.00 0.00 H new ATOM 0 HA LYS A 39 5.990 -17.458 -3.312 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.220 -18.868 -5.281 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.862 -19.457 -5.116 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.553 -20.133 -2.903 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.248 -18.999 -2.621 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.648 -20.360 -3.612 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.797 -21.111 -4.702 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.838 -22.116 -2.493 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.284 -21.720 -1.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.314 -23.977 -2.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.196 -23.048 -3.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.702 -23.433 -4.187 1.00 0.00 H new ATOM 577 N LYS A 40 6.190 -16.747 -6.529 1.00 0.00 N ATOM 578 CA LYS A 40 7.109 -16.340 -7.586 1.00 0.00 C ATOM 579 C LYS A 40 8.014 -15.208 -7.112 1.00 0.00 C ATOM 580 O LYS A 40 9.240 -15.327 -7.136 1.00 0.00 O ATOM 581 CB LYS A 40 6.330 -15.900 -8.827 1.00 0.00 C ATOM 582 CG LYS A 40 7.172 -15.858 -10.090 1.00 0.00 C ATOM 583 CD LYS A 40 7.840 -14.505 -10.270 1.00 0.00 C ATOM 584 CE LYS A 40 6.887 -13.490 -10.882 1.00 0.00 C ATOM 585 NZ LYS A 40 7.588 -12.235 -11.270 1.00 0.00 N ATOM 0 H LYS A 40 5.207 -16.744 -6.802 1.00 0.00 H new ATOM 0 HA LYS A 40 7.732 -17.197 -7.842 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.493 -16.581 -8.981 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.908 -14.911 -8.649 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.933 -16.638 -10.047 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.544 -16.073 -10.955 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.191 -14.140 -9.305 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.717 -14.613 -10.908 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.408 -13.925 -11.759 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.096 -13.259 -10.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.272 -11.457 -10.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.615 -12.364 -11.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.367 -12.006 -12.260 1.00 0.00 H new ATOM 599 N LEU A 41 7.403 -14.109 -6.682 1.00 0.00 N ATOM 600 CA LEU A 41 8.154 -12.954 -6.201 1.00 0.00 C ATOM 601 C LEU A 41 8.995 -13.321 -4.983 1.00 0.00 C ATOM 602 O LEU A 41 10.218 -13.181 -4.995 1.00 0.00 O ATOM 603 CB LEU A 41 7.201 -11.811 -5.852 1.00 0.00 C ATOM 604 CG LEU A 41 6.829 -10.872 -7.001 1.00 0.00 C ATOM 605 CD1 LEU A 41 5.433 -10.303 -6.794 1.00 0.00 C ATOM 606 CD2 LEU A 41 7.850 -9.752 -7.126 1.00 0.00 C ATOM 0 H LEU A 41 6.390 -13.993 -6.657 1.00 0.00 H new ATOM 0 HA LEU A 41 8.824 -12.629 -6.997 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.284 -12.240 -5.448 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.653 -11.218 -5.057 1.00 0.00 H new ATOM 0 HG LEU A 41 6.832 -11.444 -7.929 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.185 -9.637 -7.621 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.710 -11.118 -6.755 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.402 -9.746 -5.858 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.569 -9.094 -7.948 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.879 -9.181 -6.198 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.834 -10.177 -7.321 1.00 0.00 H new ATOM 618 N ALA A 42 8.332 -13.792 -3.932 1.00 0.00 N ATOM 619 CA ALA A 42 9.018 -14.183 -2.707 1.00 0.00 C ATOM 620 C ALA A 42 10.213 -15.080 -3.010 1.00 0.00 C ATOM 621 O ALA A 42 11.190 -15.103 -2.262 1.00 0.00 O ATOM 622 CB ALA A 42 8.054 -14.885 -1.763 1.00 0.00 C ATOM 0 H ALA A 42 7.319 -13.912 -3.905 1.00 0.00 H new ATOM 0 HA ALA A 42 9.389 -13.279 -2.223 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.580 -15.171 -0.852 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.235 -14.211 -1.512 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.655 -15.776 -2.247 1.00 0.00 H new ATOM 628 N ARG A 43 10.128 -15.819 -4.112 1.00 0.00 N ATOM 629 CA ARG A 43 11.202 -16.721 -4.512 1.00 0.00 C ATOM 630 C ARG A 43 12.336 -15.951 -5.181 1.00 0.00 C ATOM 631 O ARG A 43 13.511 -16.254 -4.975 1.00 0.00 O ATOM 632 CB ARG A 43 10.668 -17.793 -5.463 1.00 0.00 C ATOM 633 CG ARG A 43 10.098 -19.009 -4.751 1.00 0.00 C ATOM 634 CD ARG A 43 10.173 -20.252 -5.625 1.00 0.00 C ATOM 635 NE ARG A 43 11.429 -20.974 -5.442 1.00 0.00 N ATOM 636 CZ ARG A 43 11.666 -22.177 -5.953 1.00 0.00 C ATOM 637 NH1 ARG A 43 10.737 -22.789 -6.675 1.00 0.00 N ATOM 638 NH2 ARG A 43 12.834 -22.770 -5.743 1.00 0.00 N ATOM 0 H ARG A 43 9.327 -15.811 -4.743 1.00 0.00 H new ATOM 0 HA ARG A 43 11.592 -17.203 -3.615 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.894 -17.355 -6.093 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.473 -18.114 -6.124 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.647 -19.180 -3.825 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.061 -18.818 -4.476 1.00 0.00 H new ATOM 0 HD2 ARG A 43 9.338 -20.912 -5.390 1.00 0.00 H new ATOM 0 HD3 ARG A 43 10.068 -19.966 -6.672 1.00 0.00 H new ATOM 0 HE ARG A 43 12.164 -20.530 -4.892 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.838 -22.336 -6.839 1.00 0.00 H new ATOM 0 HH12 ARG A 43 10.922 -23.713 -7.066 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.551 -22.302 -5.189 1.00 0.00 H new ATOM 0 HH22 ARG A 43 13.015 -23.694 -6.136 1.00 0.00 H new ATOM 652 N GLU A 44 11.976 -14.954 -5.984 1.00 0.00 N ATOM 653 CA GLU A 44 12.964 -14.142 -6.684 1.00 0.00 C ATOM 654 C GLU A 44 13.657 -13.180 -5.724 1.00 0.00 C ATOM 655 O GLU A 44 14.884 -13.146 -5.640 1.00 0.00 O ATOM 656 CB GLU A 44 12.301 -13.359 -7.819 1.00 0.00 C ATOM 657 CG GLU A 44 12.216 -14.133 -9.124 1.00 0.00 C ATOM 658 CD GLU A 44 11.716 -13.282 -10.275 1.00 0.00 C ATOM 659 OE1 GLU A 44 12.491 -12.438 -10.770 1.00 0.00 O ATOM 660 OE2 GLU A 44 10.548 -13.462 -10.681 1.00 0.00 O ATOM 0 H GLU A 44 11.008 -14.690 -6.166 1.00 0.00 H new ATOM 0 HA GLU A 44 13.715 -14.811 -7.104 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.296 -13.071 -7.511 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.859 -12.438 -7.988 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.200 -14.530 -9.371 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.552 -14.987 -8.993 1.00 0.00 H new ATOM 667 N TRP A 45 12.861 -12.399 -5.003 1.00 0.00 N ATOM 668 CA TRP A 45 13.397 -11.435 -4.048 1.00 0.00 C ATOM 669 C TRP A 45 13.771 -12.117 -2.737 1.00 0.00 C ATOM 670 O TRP A 45 14.060 -11.453 -1.741 1.00 0.00 O ATOM 671 CB TRP A 45 12.378 -10.324 -3.788 1.00 0.00 C ATOM 672 CG TRP A 45 12.086 -9.489 -4.997 1.00 0.00 C ATOM 673 CD1 TRP A 45 11.245 -9.803 -6.027 1.00 0.00 C ATOM 674 CD2 TRP A 45 12.637 -8.204 -5.305 1.00 0.00 C ATOM 675 NE1 TRP A 45 11.240 -8.790 -6.955 1.00 0.00 N ATOM 676 CE2 TRP A 45 12.085 -7.797 -6.535 1.00 0.00 C ATOM 677 CE3 TRP A 45 13.541 -7.356 -4.659 1.00 0.00 C ATOM 678 CZ2 TRP A 45 12.409 -6.581 -7.130 1.00 0.00 C ATOM 679 CZ3 TRP A 45 13.862 -6.149 -5.252 1.00 0.00 C ATOM 680 CH2 TRP A 45 13.297 -5.770 -6.477 1.00 0.00 C ATOM 0 H TRP A 45 11.843 -12.414 -5.061 1.00 0.00 H new ATOM 0 HA TRP A 45 14.299 -10.998 -4.477 1.00 0.00 H new ATOM 0 HB2 TRP A 45 11.450 -10.769 -3.430 1.00 0.00 H new ATOM 0 HB3 TRP A 45 12.750 -9.679 -2.992 1.00 0.00 H new ATOM 0 HD1 TRP A 45 10.669 -10.714 -6.101 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.695 -8.779 -7.817 1.00 0.00 H new ATOM 0 HE3 TRP A 45 13.981 -7.638 -3.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 11.975 -6.288 -8.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 14.561 -5.487 -4.762 1.00 0.00 H new ATOM 0 HH2 TRP A 45 13.567 -4.820 -6.914 1.00 0.00 H new ATOM 691 N HIS A 46 13.764 -13.446 -2.743 1.00 0.00 N ATOM 692 CA HIS A 46 14.104 -14.218 -1.553 1.00 0.00 C ATOM 693 C HIS A 46 15.518 -13.895 -1.082 1.00 0.00 C ATOM 694 O HIS A 46 16.460 -13.818 -1.872 1.00 0.00 O ATOM 695 CB HIS A 46 13.978 -15.715 -1.838 1.00 0.00 C ATOM 696 CG HIS A 46 13.591 -16.522 -0.637 1.00 0.00 C ATOM 697 ND1 HIS A 46 14.256 -17.668 -0.255 1.00 0.00 N ATOM 698 CD2 HIS A 46 12.603 -16.342 0.271 1.00 0.00 C ATOM 699 CE1 HIS A 46 13.692 -18.159 0.835 1.00 0.00 C ATOM 700 NE2 HIS A 46 12.687 -17.373 1.174 1.00 0.00 N ATOM 0 H HIS A 46 13.527 -14.011 -3.558 1.00 0.00 H new ATOM 0 HA HIS A 46 13.406 -13.946 -0.761 1.00 0.00 H new ATOM 0 HB2 HIS A 46 13.236 -15.866 -2.622 1.00 0.00 H new ATOM 0 HB3 HIS A 46 14.928 -16.085 -2.223 1.00 0.00 H new ATOM 0 HD2 HIS A 46 11.883 -15.537 0.283 1.00 0.00 H new ATOM 0 HE1 HIS A 46 14.001 -19.051 1.359 1.00 0.00 H new ATOM 0 HE2 HIS A 46 12.073 -17.509 1.977 1.00 0.00 H new ATOM 708 N PRO A 47 15.674 -13.700 0.236 1.00 0.00 N ATOM 709 CA PRO A 47 16.970 -13.382 0.842 1.00 0.00 C ATOM 710 C PRO A 47 17.933 -14.564 0.804 1.00 0.00 C ATOM 711 O PRO A 47 19.141 -14.387 0.647 1.00 0.00 O ATOM 712 CB PRO A 47 16.609 -13.033 2.288 1.00 0.00 C ATOM 713 CG PRO A 47 15.334 -13.758 2.546 1.00 0.00 C ATOM 714 CD PRO A 47 14.595 -13.777 1.236 1.00 0.00 C ATOM 0 HA PRO A 47 17.483 -12.580 0.311 1.00 0.00 H new ATOM 0 HB2 PRO A 47 17.391 -13.349 2.978 1.00 0.00 H new ATOM 0 HB3 PRO A 47 16.486 -11.958 2.417 1.00 0.00 H new ATOM 0 HG2 PRO A 47 15.526 -14.771 2.900 1.00 0.00 H new ATOM 0 HG3 PRO A 47 14.749 -13.256 3.317 1.00 0.00 H new ATOM 0 HD2 PRO A 47 14.004 -14.686 1.121 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.907 -12.936 1.150 1.00 0.00 H new ATOM 722 N ASP A 48 17.391 -15.768 0.947 1.00 0.00 N ATOM 723 CA ASP A 48 18.203 -16.979 0.927 1.00 0.00 C ATOM 724 C ASP A 48 19.011 -17.070 -0.363 1.00 0.00 C ATOM 725 O ASP A 48 20.138 -17.566 -0.369 1.00 0.00 O ATOM 726 CB ASP A 48 17.316 -18.216 1.076 1.00 0.00 C ATOM 727 CG ASP A 48 16.669 -18.303 2.445 1.00 0.00 C ATOM 728 OD1 ASP A 48 15.798 -17.461 2.744 1.00 0.00 O ATOM 729 OD2 ASP A 48 17.036 -19.214 3.217 1.00 0.00 O ATOM 0 H ASP A 48 16.393 -15.932 1.078 1.00 0.00 H new ATOM 0 HA ASP A 48 18.897 -16.936 1.767 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.540 -18.197 0.311 1.00 0.00 H new ATOM 0 HB3 ASP A 48 17.913 -19.111 0.902 1.00 0.00 H new ATOM 734 N LYS A 49 18.428 -16.590 -1.456 1.00 0.00 N ATOM 735 CA LYS A 49 19.093 -16.616 -2.753 1.00 0.00 C ATOM 736 C LYS A 49 19.697 -15.255 -3.083 1.00 0.00 C ATOM 737 O LYS A 49 20.708 -15.166 -3.778 1.00 0.00 O ATOM 738 CB LYS A 49 18.104 -17.026 -3.848 1.00 0.00 C ATOM 739 CG LYS A 49 18.704 -17.018 -5.243 1.00 0.00 C ATOM 740 CD LYS A 49 17.788 -17.696 -6.248 1.00 0.00 C ATOM 741 CE LYS A 49 17.841 -19.210 -6.118 1.00 0.00 C ATOM 742 NZ LYS A 49 16.636 -19.860 -6.704 1.00 0.00 N ATOM 0 H LYS A 49 17.495 -16.178 -1.469 1.00 0.00 H new ATOM 0 HA LYS A 49 19.898 -17.349 -2.705 1.00 0.00 H new ATOM 0 HB2 LYS A 49 17.727 -18.025 -3.630 1.00 0.00 H new ATOM 0 HB3 LYS A 49 17.249 -16.350 -3.825 1.00 0.00 H new ATOM 0 HG2 LYS A 49 18.890 -15.990 -5.554 1.00 0.00 H new ATOM 0 HG3 LYS A 49 19.668 -17.526 -5.228 1.00 0.00 H new ATOM 0 HD2 LYS A 49 16.764 -17.353 -6.098 1.00 0.00 H new ATOM 0 HD3 LYS A 49 18.077 -17.406 -7.258 1.00 0.00 H new ATOM 0 HE2 LYS A 49 18.735 -19.586 -6.616 1.00 0.00 H new ATOM 0 HE3 LYS A 49 17.924 -19.481 -5.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 16.711 -20.892 -6.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 15.785 -19.521 -6.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 16.570 -19.622 -7.714 1.00 0.00 H new ATOM 756 N ASN A 50 19.071 -14.197 -2.578 1.00 0.00 N ATOM 757 CA ASN A 50 19.548 -12.840 -2.819 1.00 0.00 C ATOM 758 C ASN A 50 20.711 -12.500 -1.892 1.00 0.00 C ATOM 759 O ASN A 50 20.527 -12.306 -0.691 1.00 0.00 O ATOM 760 CB ASN A 50 18.412 -11.834 -2.618 1.00 0.00 C ATOM 761 CG ASN A 50 17.471 -11.781 -3.806 1.00 0.00 C ATOM 762 OD1 ASN A 50 16.952 -12.806 -4.248 1.00 0.00 O ATOM 763 ND2 ASN A 50 17.247 -10.581 -4.330 1.00 0.00 N ATOM 0 H ASN A 50 18.233 -14.253 -2.000 1.00 0.00 H new ATOM 0 HA ASN A 50 19.898 -12.783 -3.850 1.00 0.00 H new ATOM 0 HB2 ASN A 50 17.849 -12.100 -1.723 1.00 0.00 H new ATOM 0 HB3 ASN A 50 18.833 -10.843 -2.447 1.00 0.00 H new ATOM 0 HD21 ASN A 50 16.623 -10.483 -5.131 1.00 0.00 H new ATOM 0 HD22 ASN A 50 17.699 -9.758 -3.931 1.00 0.00 H new ATOM 770 N LYS A 51 21.911 -12.430 -2.460 1.00 0.00 N ATOM 771 CA LYS A 51 23.106 -12.112 -1.688 1.00 0.00 C ATOM 772 C LYS A 51 23.133 -10.634 -1.311 1.00 0.00 C ATOM 773 O LYS A 51 23.548 -10.271 -0.210 1.00 0.00 O ATOM 774 CB LYS A 51 24.363 -12.469 -2.484 1.00 0.00 C ATOM 775 CG LYS A 51 25.534 -12.892 -1.614 1.00 0.00 C ATOM 776 CD LYS A 51 26.286 -11.690 -1.069 1.00 0.00 C ATOM 777 CE LYS A 51 27.038 -10.956 -2.169 1.00 0.00 C ATOM 778 NZ LYS A 51 28.075 -10.041 -1.618 1.00 0.00 N ATOM 0 H LYS A 51 22.081 -12.589 -3.453 1.00 0.00 H new ATOM 0 HA LYS A 51 23.084 -12.702 -0.772 1.00 0.00 H new ATOM 0 HB2 LYS A 51 24.127 -13.276 -3.178 1.00 0.00 H new ATOM 0 HB3 LYS A 51 24.659 -11.609 -3.084 1.00 0.00 H new ATOM 0 HG2 LYS A 51 25.172 -13.502 -0.786 1.00 0.00 H new ATOM 0 HG3 LYS A 51 26.214 -13.515 -2.195 1.00 0.00 H new ATOM 0 HD2 LYS A 51 25.584 -11.008 -0.589 1.00 0.00 H new ATOM 0 HD3 LYS A 51 26.988 -12.016 -0.302 1.00 0.00 H new ATOM 0 HE2 LYS A 51 27.509 -11.681 -2.833 1.00 0.00 H new ATOM 0 HE3 LYS A 51 26.332 -10.384 -2.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 28.564 -9.560 -2.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 27.623 -9.333 -1.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 28.763 -10.590 -1.064 1.00 0.00 H new ATOM 792 N ASP A 52 22.688 -9.785 -2.231 1.00 0.00 N ATOM 793 CA ASP A 52 22.659 -8.347 -1.995 1.00 0.00 C ATOM 794 C ASP A 52 21.908 -8.023 -0.707 1.00 0.00 C ATOM 795 O ASP A 52 20.815 -8.529 -0.452 1.00 0.00 O ATOM 796 CB ASP A 52 22.005 -7.627 -3.176 1.00 0.00 C ATOM 797 CG ASP A 52 22.900 -7.591 -4.399 1.00 0.00 C ATOM 798 OD1 ASP A 52 23.804 -6.730 -4.447 1.00 0.00 O ATOM 799 OD2 ASP A 52 22.697 -8.423 -5.307 1.00 0.00 O ATOM 0 H ASP A 52 22.342 -10.069 -3.148 1.00 0.00 H new ATOM 0 HA ASP A 52 23.687 -8.000 -1.893 1.00 0.00 H new ATOM 0 HB2 ASP A 52 21.069 -8.125 -3.429 1.00 0.00 H new ATOM 0 HB3 ASP A 52 21.754 -6.608 -2.883 1.00 0.00 H new ATOM 804 N PRO A 53 22.507 -7.159 0.126 1.00 0.00 N ATOM 805 CA PRO A 53 21.913 -6.748 1.402 1.00 0.00 C ATOM 806 C PRO A 53 20.685 -5.865 1.212 1.00 0.00 C ATOM 807 O PRO A 53 20.772 -4.778 0.643 1.00 0.00 O ATOM 808 CB PRO A 53 23.038 -5.962 2.080 1.00 0.00 C ATOM 809 CG PRO A 53 23.881 -5.463 0.958 1.00 0.00 C ATOM 810 CD PRO A 53 23.810 -6.516 -0.113 1.00 0.00 C ATOM 0 HA PRO A 53 21.562 -7.601 1.982 1.00 0.00 H new ATOM 0 HB2 PRO A 53 22.643 -5.139 2.675 1.00 0.00 H new ATOM 0 HB3 PRO A 53 23.613 -6.596 2.755 1.00 0.00 H new ATOM 0 HG2 PRO A 53 23.513 -4.506 0.589 1.00 0.00 H new ATOM 0 HG3 PRO A 53 24.909 -5.305 1.283 1.00 0.00 H new ATOM 0 HD2 PRO A 53 23.866 -6.079 -1.110 1.00 0.00 H new ATOM 0 HD3 PRO A 53 24.631 -7.229 -0.031 1.00 0.00 H new ATOM 818 N GLY A 54 19.540 -6.340 1.693 1.00 0.00 N ATOM 819 CA GLY A 54 18.310 -5.580 1.566 1.00 0.00 C ATOM 820 C GLY A 54 17.199 -6.378 0.914 1.00 0.00 C ATOM 821 O GLY A 54 16.025 -6.200 1.238 1.00 0.00 O ATOM 0 H GLY A 54 19.442 -7.237 2.168 1.00 0.00 H new ATOM 0 HA2 GLY A 54 17.986 -5.252 2.554 1.00 0.00 H new ATOM 0 HA3 GLY A 54 18.501 -4.682 0.979 1.00 0.00 H new ATOM 825 N ALA A 55 17.570 -7.260 -0.009 1.00 0.00 N ATOM 826 CA ALA A 55 16.596 -8.089 -0.708 1.00 0.00 C ATOM 827 C ALA A 55 15.474 -8.525 0.228 1.00 0.00 C ATOM 828 O ALA A 55 14.315 -8.614 -0.178 1.00 0.00 O ATOM 829 CB ALA A 55 17.279 -9.304 -1.318 1.00 0.00 C ATOM 0 H ALA A 55 18.538 -7.418 -0.290 1.00 0.00 H new ATOM 0 HA ALA A 55 16.156 -7.493 -1.508 1.00 0.00 H new ATOM 0 HB1 ALA A 55 16.540 -9.914 -1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 55 18.040 -8.976 -2.026 1.00 0.00 H new ATOM 0 HB3 ALA A 55 17.747 -9.893 -0.529 1.00 0.00 H new ATOM 835 N GLU A 56 15.826 -8.796 1.481 1.00 0.00 N ATOM 836 CA GLU A 56 14.847 -9.225 2.473 1.00 0.00 C ATOM 837 C GLU A 56 13.720 -8.204 2.602 1.00 0.00 C ATOM 838 O GLU A 56 12.541 -8.552 2.537 1.00 0.00 O ATOM 839 CB GLU A 56 15.521 -9.432 3.831 1.00 0.00 C ATOM 840 CG GLU A 56 14.541 -9.676 4.966 1.00 0.00 C ATOM 841 CD GLU A 56 14.067 -11.115 5.028 1.00 0.00 C ATOM 842 OE1 GLU A 56 13.181 -11.483 4.229 1.00 0.00 O ATOM 843 OE2 GLU A 56 14.583 -11.874 5.876 1.00 0.00 O ATOM 0 H GLU A 56 16.781 -8.726 1.833 1.00 0.00 H new ATOM 0 HA GLU A 56 14.420 -10.171 2.140 1.00 0.00 H new ATOM 0 HB2 GLU A 56 16.203 -10.279 3.763 1.00 0.00 H new ATOM 0 HB3 GLU A 56 16.124 -8.555 4.065 1.00 0.00 H new ATOM 0 HG2 GLU A 56 15.013 -9.412 5.912 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.680 -9.019 4.845 1.00 0.00 H new ATOM 850 N ASP A 57 14.092 -6.942 2.786 1.00 0.00 N ATOM 851 CA ASP A 57 13.114 -5.869 2.924 1.00 0.00 C ATOM 852 C ASP A 57 11.936 -6.082 1.979 1.00 0.00 C ATOM 853 O ASP A 57 10.785 -6.144 2.411 1.00 0.00 O ATOM 854 CB ASP A 57 13.769 -4.515 2.646 1.00 0.00 C ATOM 855 CG ASP A 57 12.756 -3.447 2.278 1.00 0.00 C ATOM 856 OD1 ASP A 57 11.928 -3.092 3.143 1.00 0.00 O ATOM 857 OD2 ASP A 57 12.794 -2.966 1.127 1.00 0.00 O ATOM 0 H ASP A 57 15.064 -6.637 2.843 1.00 0.00 H new ATOM 0 HA ASP A 57 12.741 -5.880 3.948 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.325 -4.196 3.527 1.00 0.00 H new ATOM 0 HB3 ASP A 57 14.490 -4.623 1.836 1.00 0.00 H new ATOM 862 N ARG A 58 12.232 -6.194 0.688 1.00 0.00 N ATOM 863 CA ARG A 58 11.197 -6.398 -0.318 1.00 0.00 C ATOM 864 C ARG A 58 10.370 -7.641 -0.003 1.00 0.00 C ATOM 865 O ARG A 58 9.142 -7.583 0.060 1.00 0.00 O ATOM 866 CB ARG A 58 11.825 -6.529 -1.707 1.00 0.00 C ATOM 867 CG ARG A 58 10.867 -6.208 -2.842 1.00 0.00 C ATOM 868 CD ARG A 58 10.854 -4.720 -3.155 1.00 0.00 C ATOM 869 NE ARG A 58 9.981 -4.405 -4.283 1.00 0.00 N ATOM 870 CZ ARG A 58 9.766 -3.171 -4.724 1.00 0.00 C ATOM 871 NH1 ARG A 58 10.358 -2.141 -4.136 1.00 0.00 N ATOM 872 NH2 ARG A 58 8.958 -2.965 -5.757 1.00 0.00 N ATOM 0 H ARG A 58 13.180 -6.147 0.314 1.00 0.00 H new ATOM 0 HA ARG A 58 10.537 -5.531 -0.305 1.00 0.00 H new ATOM 0 HB2 ARG A 58 12.686 -5.864 -1.771 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.197 -7.546 -1.834 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.156 -6.766 -3.733 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.862 -6.534 -2.574 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.523 -4.168 -2.275 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.868 -4.388 -3.378 1.00 0.00 H new ATOM 0 HE ARG A 58 9.511 -5.175 -4.758 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.980 -2.295 -3.343 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.191 -1.194 -4.477 1.00 0.00 H new ATOM 0 HH21 ARG A 58 8.501 -3.755 -6.213 1.00 0.00 H new ATOM 0 HH22 ARG A 58 8.794 -2.017 -6.095 1.00 0.00 H new ATOM 886 N PHE A 59 11.052 -8.765 0.194 1.00 0.00 N ATOM 887 CA PHE A 59 10.381 -10.022 0.502 1.00 0.00 C ATOM 888 C PHE A 59 9.301 -9.818 1.561 1.00 0.00 C ATOM 889 O PHE A 59 8.196 -10.350 1.447 1.00 0.00 O ATOM 890 CB PHE A 59 11.395 -11.062 0.984 1.00 0.00 C ATOM 891 CG PHE A 59 10.760 -12.290 1.572 1.00 0.00 C ATOM 892 CD1 PHE A 59 10.364 -13.338 0.757 1.00 0.00 C ATOM 893 CD2 PHE A 59 10.561 -12.396 2.939 1.00 0.00 C ATOM 894 CE1 PHE A 59 9.780 -14.470 1.295 1.00 0.00 C ATOM 895 CE2 PHE A 59 9.978 -13.526 3.482 1.00 0.00 C ATOM 896 CZ PHE A 59 9.586 -14.563 2.659 1.00 0.00 C ATOM 0 H PHE A 59 12.069 -8.830 0.146 1.00 0.00 H new ATOM 0 HA PHE A 59 9.906 -10.384 -0.410 1.00 0.00 H new ATOM 0 HB2 PHE A 59 12.028 -11.355 0.147 1.00 0.00 H new ATOM 0 HB3 PHE A 59 12.045 -10.606 1.731 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.513 -13.270 -0.310 1.00 0.00 H new ATOM 0 HD2 PHE A 59 10.865 -11.587 3.587 1.00 0.00 H new ATOM 0 HE1 PHE A 59 9.476 -15.280 0.649 1.00 0.00 H new ATOM 0 HE2 PHE A 59 9.829 -13.597 4.549 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.128 -15.445 3.081 1.00 0.00 H new ATOM 906 N ILE A 60 9.630 -9.045 2.590 1.00 0.00 N ATOM 907 CA ILE A 60 8.689 -8.770 3.669 1.00 0.00 C ATOM 908 C ILE A 60 7.405 -8.146 3.133 1.00 0.00 C ATOM 909 O ILE A 60 6.306 -8.612 3.432 1.00 0.00 O ATOM 910 CB ILE A 60 9.302 -7.831 4.724 1.00 0.00 C ATOM 911 CG1 ILE A 60 10.580 -8.442 5.303 1.00 0.00 C ATOM 912 CG2 ILE A 60 8.296 -7.548 5.830 1.00 0.00 C ATOM 913 CD1 ILE A 60 11.393 -7.472 6.131 1.00 0.00 C ATOM 0 H ILE A 60 10.540 -8.598 2.700 1.00 0.00 H new ATOM 0 HA ILE A 60 8.457 -9.727 4.137 1.00 0.00 H new ATOM 0 HB ILE A 60 9.559 -6.887 4.243 1.00 0.00 H new ATOM 0 HG12 ILE A 60 10.315 -9.301 5.920 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.197 -8.815 4.486 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.744 -6.883 6.568 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.411 -7.074 5.405 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.011 -8.484 6.311 1.00 0.00 H new ATOM 0 HD11 ILE A 60 12.284 -7.974 6.509 1.00 0.00 H new ATOM 0 HD12 ILE A 60 11.689 -6.625 5.512 1.00 0.00 H new ATOM 0 HD13 ILE A 60 10.793 -7.117 6.969 1.00 0.00 H new ATOM 925 N GLN A 61 7.553 -7.090 2.339 1.00 0.00 N ATOM 926 CA GLN A 61 6.405 -6.403 1.761 1.00 0.00 C ATOM 927 C GLN A 61 5.580 -7.352 0.898 1.00 0.00 C ATOM 928 O GLN A 61 4.359 -7.431 1.039 1.00 0.00 O ATOM 929 CB GLN A 61 6.867 -5.208 0.926 1.00 0.00 C ATOM 930 CG GLN A 61 7.019 -3.926 1.729 1.00 0.00 C ATOM 931 CD GLN A 61 7.031 -2.687 0.855 1.00 0.00 C ATOM 932 OE1 GLN A 61 7.503 -2.720 -0.281 1.00 0.00 O ATOM 933 NE2 GLN A 61 6.511 -1.585 1.383 1.00 0.00 N ATOM 0 H GLN A 61 8.456 -6.692 2.082 1.00 0.00 H new ATOM 0 HA GLN A 61 5.778 -6.046 2.578 1.00 0.00 H new ATOM 0 HB2 GLN A 61 7.822 -5.449 0.459 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.152 -5.040 0.121 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.201 -3.852 2.446 1.00 0.00 H new ATOM 0 HG3 GLN A 61 7.944 -3.969 2.304 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.131 -1.603 2.329 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.492 -0.720 0.842 1.00 0.00 H new ATOM 942 N ILE A 62 6.254 -8.071 0.007 1.00 0.00 N ATOM 943 CA ILE A 62 5.583 -9.015 -0.877 1.00 0.00 C ATOM 944 C ILE A 62 4.735 -10.004 -0.084 1.00 0.00 C ATOM 945 O ILE A 62 3.571 -10.239 -0.408 1.00 0.00 O ATOM 946 CB ILE A 62 6.594 -9.797 -1.737 1.00 0.00 C ATOM 947 CG1 ILE A 62 7.348 -8.846 -2.669 1.00 0.00 C ATOM 948 CG2 ILE A 62 5.883 -10.878 -2.538 1.00 0.00 C ATOM 949 CD1 ILE A 62 8.719 -9.347 -3.063 1.00 0.00 C ATOM 0 H ILE A 62 7.264 -8.018 -0.122 1.00 0.00 H new ATOM 0 HA ILE A 62 4.937 -8.430 -1.532 1.00 0.00 H new ATOM 0 HB ILE A 62 7.316 -10.276 -1.076 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.755 -8.687 -3.570 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.451 -7.877 -2.180 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.610 -11.422 -3.141 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.387 -11.569 -1.856 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.142 -10.418 -3.192 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.195 -8.623 -3.724 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.329 -9.479 -2.169 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.623 -10.302 -3.580 1.00 0.00 H new ATOM 961 N SER A 63 5.327 -10.579 0.958 1.00 0.00 N ATOM 962 CA SER A 63 4.627 -11.544 1.797 1.00 0.00 C ATOM 963 C SER A 63 3.496 -10.872 2.571 1.00 0.00 C ATOM 964 O SER A 63 2.380 -11.388 2.636 1.00 0.00 O ATOM 965 CB SER A 63 5.603 -12.207 2.771 1.00 0.00 C ATOM 966 OG SER A 63 5.063 -13.408 3.296 1.00 0.00 O ATOM 0 H SER A 63 6.289 -10.393 1.241 1.00 0.00 H new ATOM 0 HA SER A 63 4.197 -12.307 1.149 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.543 -12.419 2.261 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.831 -11.520 3.586 1.00 0.00 H new ATOM 0 HG SER A 63 5.706 -13.813 3.914 1.00 0.00 H new ATOM 972 N LYS A 64 3.794 -9.717 3.157 1.00 0.00 N ATOM 973 CA LYS A 64 2.805 -8.972 3.926 1.00 0.00 C ATOM 974 C LYS A 64 1.596 -8.622 3.064 1.00 0.00 C ATOM 975 O LYS A 64 0.458 -8.651 3.532 1.00 0.00 O ATOM 976 CB LYS A 64 3.427 -7.694 4.493 1.00 0.00 C ATOM 977 CG LYS A 64 4.454 -7.949 5.582 1.00 0.00 C ATOM 978 CD LYS A 64 3.793 -8.160 6.934 1.00 0.00 C ATOM 979 CE LYS A 64 4.787 -8.667 7.967 1.00 0.00 C ATOM 980 NZ LYS A 64 5.725 -7.597 8.408 1.00 0.00 N ATOM 0 H LYS A 64 4.713 -9.277 3.114 1.00 0.00 H new ATOM 0 HA LYS A 64 2.471 -9.603 4.750 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.899 -7.139 3.682 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.635 -7.061 4.893 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.047 -8.826 5.325 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.141 -7.105 5.640 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.357 -7.222 7.277 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.975 -8.874 6.833 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.247 -9.055 8.831 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.355 -9.497 7.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.386 -7.983 9.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.259 -7.244 7.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.186 -6.816 8.832 1.00 0.00 H new ATOM 994 N ALA A 65 1.851 -8.294 1.801 1.00 0.00 N ATOM 995 CA ALA A 65 0.783 -7.942 0.873 1.00 0.00 C ATOM 996 C ALA A 65 -0.151 -9.124 0.637 1.00 0.00 C ATOM 997 O ALA A 65 -1.373 -8.985 0.700 1.00 0.00 O ATOM 998 CB ALA A 65 1.368 -7.458 -0.445 1.00 0.00 C ATOM 0 H ALA A 65 2.787 -8.265 1.397 1.00 0.00 H new ATOM 0 HA ALA A 65 0.200 -7.135 1.317 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.560 -7.199 -1.128 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.989 -6.580 -0.267 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.976 -8.248 -0.885 1.00 0.00 H new ATOM 1004 N TYR A 66 0.431 -10.287 0.366 1.00 0.00 N ATOM 1005 CA TYR A 66 -0.349 -11.493 0.117 1.00 0.00 C ATOM 1006 C TYR A 66 -1.104 -11.921 1.372 1.00 0.00 C ATOM 1007 O TYR A 66 -2.290 -12.247 1.315 1.00 0.00 O ATOM 1008 CB TYR A 66 0.562 -12.627 -0.355 1.00 0.00 C ATOM 1009 CG TYR A 66 -0.173 -13.921 -0.627 1.00 0.00 C ATOM 1010 CD1 TYR A 66 -1.452 -13.915 -1.169 1.00 0.00 C ATOM 1011 CD2 TYR A 66 0.412 -15.148 -0.340 1.00 0.00 C ATOM 1012 CE1 TYR A 66 -2.127 -15.094 -1.418 1.00 0.00 C ATOM 1013 CE2 TYR A 66 -0.255 -16.332 -0.588 1.00 0.00 C ATOM 1014 CZ TYR A 66 -1.525 -16.300 -1.127 1.00 0.00 C ATOM 1015 OH TYR A 66 -2.193 -17.477 -1.373 1.00 0.00 O ATOM 0 H TYR A 66 1.441 -10.420 0.313 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.075 -11.271 -0.665 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.077 -12.314 -1.263 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.327 -12.805 0.400 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.927 -12.973 -1.400 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.405 -15.177 0.084 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.121 -15.071 -1.839 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.215 -17.278 -0.361 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.958 -17.302 -1.960 1.00 0.00 H new ATOM 1025 N GLU A 67 -0.408 -11.917 2.504 1.00 0.00 N ATOM 1026 CA GLU A 67 -1.012 -12.305 3.774 1.00 0.00 C ATOM 1027 C GLU A 67 -2.414 -11.719 3.910 1.00 0.00 C ATOM 1028 O GLU A 67 -3.293 -12.323 4.526 1.00 0.00 O ATOM 1029 CB GLU A 67 -0.138 -11.844 4.942 1.00 0.00 C ATOM 1030 CG GLU A 67 0.996 -12.801 5.269 1.00 0.00 C ATOM 1031 CD GLU A 67 1.713 -12.439 6.555 1.00 0.00 C ATOM 1032 OE1 GLU A 67 1.933 -11.233 6.792 1.00 0.00 O ATOM 1033 OE2 GLU A 67 2.053 -13.362 7.324 1.00 0.00 O ATOM 0 H GLU A 67 0.574 -11.650 2.568 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.088 -13.392 3.795 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.280 -10.865 4.707 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.764 -11.720 5.826 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.600 -13.813 5.351 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.712 -12.804 4.447 1.00 0.00 H new ATOM 1040 N ILE A 68 -2.615 -10.539 3.333 1.00 0.00 N ATOM 1041 CA ILE A 68 -3.909 -9.872 3.390 1.00 0.00 C ATOM 1042 C ILE A 68 -4.937 -10.592 2.524 1.00 0.00 C ATOM 1043 O ILE A 68 -5.928 -11.122 3.029 1.00 0.00 O ATOM 1044 CB ILE A 68 -3.807 -8.405 2.933 1.00 0.00 C ATOM 1045 CG1 ILE A 68 -2.821 -7.639 3.818 1.00 0.00 C ATOM 1046 CG2 ILE A 68 -5.177 -7.744 2.962 1.00 0.00 C ATOM 1047 CD1 ILE A 68 -2.455 -6.275 3.276 1.00 0.00 C ATOM 0 H ILE A 68 -1.898 -10.025 2.821 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.232 -9.898 4.431 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.437 -8.385 1.908 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.253 -7.522 4.812 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.913 -8.231 3.933 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.088 -6.708 2.636 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.853 -8.278 2.294 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.573 -7.773 3.977 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.753 -5.790 3.955 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.994 -6.385 2.295 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.354 -5.665 3.188 1.00 0.00 H new ATOM 1059 N LEU A 69 -4.695 -10.608 1.218 1.00 0.00 N ATOM 1060 CA LEU A 69 -5.599 -11.265 0.280 1.00 0.00 C ATOM 1061 C LEU A 69 -5.732 -12.750 0.602 1.00 0.00 C ATOM 1062 O LEU A 69 -6.838 -13.262 0.772 1.00 0.00 O ATOM 1063 CB LEU A 69 -5.098 -11.084 -1.154 1.00 0.00 C ATOM 1064 CG LEU A 69 -4.931 -9.640 -1.629 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -4.180 -9.598 -2.951 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -6.287 -8.963 -1.762 1.00 0.00 C ATOM 0 H LEU A 69 -3.880 -10.174 0.784 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.581 -10.802 0.375 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.137 -11.590 -1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.792 -11.589 -1.826 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.348 -9.097 -0.885 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.070 -8.563 -3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.194 -10.045 -2.824 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.737 -10.156 -3.704 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.149 -7.936 -2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.895 -9.506 -2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.789 -8.961 -0.795 1.00 0.00 H new ATOM 1078 N SER A 70 -4.596 -13.436 0.685 1.00 0.00 N ATOM 1079 CA SER A 70 -4.586 -14.863 0.985 1.00 0.00 C ATOM 1080 C SER A 70 -5.707 -15.223 1.955 1.00 0.00 C ATOM 1081 O SER A 70 -6.498 -16.129 1.697 1.00 0.00 O ATOM 1082 CB SER A 70 -3.234 -15.271 1.575 1.00 0.00 C ATOM 1083 OG SER A 70 -3.147 -16.678 1.723 1.00 0.00 O ATOM 0 H SER A 70 -3.672 -13.027 0.549 1.00 0.00 H new ATOM 0 HA SER A 70 -4.748 -15.406 0.054 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.430 -14.920 0.928 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.096 -14.791 2.544 1.00 0.00 H new ATOM 0 HG SER A 70 -2.657 -17.057 0.964 1.00 0.00 H new ATOM 1089 N ASN A 71 -5.767 -14.506 3.072 1.00 0.00 N ATOM 1090 CA ASN A 71 -6.790 -14.749 4.082 1.00 0.00 C ATOM 1091 C ASN A 71 -8.101 -14.065 3.705 1.00 0.00 C ATOM 1092 O ASN A 71 -8.105 -12.928 3.235 1.00 0.00 O ATOM 1093 CB ASN A 71 -6.316 -14.250 5.449 1.00 0.00 C ATOM 1094 CG ASN A 71 -7.140 -14.817 6.589 1.00 0.00 C ATOM 1095 OD1 ASN A 71 -8.176 -14.263 6.957 1.00 0.00 O ATOM 1096 ND2 ASN A 71 -6.681 -15.928 7.154 1.00 0.00 N ATOM 0 H ASN A 71 -5.119 -13.752 3.301 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.964 -15.824 4.135 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -5.270 -14.523 5.590 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.368 -13.161 5.473 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.192 -16.356 7.926 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.817 -16.353 6.816 1.00 0.00 H new ATOM 1103 N GLU A 72 -9.210 -14.766 3.915 1.00 0.00 N ATOM 1104 CA GLU A 72 -10.527 -14.226 3.596 1.00 0.00 C ATOM 1105 C GLU A 72 -10.828 -12.992 4.443 1.00 0.00 C ATOM 1106 O GLU A 72 -11.050 -11.904 3.914 1.00 0.00 O ATOM 1107 CB GLU A 72 -11.606 -15.287 3.820 1.00 0.00 C ATOM 1108 CG GLU A 72 -11.383 -16.560 3.021 1.00 0.00 C ATOM 1109 CD GLU A 72 -11.758 -16.406 1.560 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -11.791 -15.255 1.076 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -12.019 -17.434 0.902 1.00 0.00 O ATOM 0 H GLU A 72 -9.223 -15.709 4.304 1.00 0.00 H new ATOM 0 HA GLU A 72 -10.527 -13.934 2.546 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -11.644 -15.536 4.881 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -12.577 -14.867 3.556 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -10.335 -16.851 3.094 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.970 -17.367 3.460 1.00 0.00 H new ATOM 1118 N GLU A 73 -10.833 -13.172 5.760 1.00 0.00 N ATOM 1119 CA GLU A 73 -11.109 -12.074 6.679 1.00 0.00 C ATOM 1120 C GLU A 73 -10.299 -10.836 6.305 1.00 0.00 C ATOM 1121 O GLU A 73 -10.851 -9.749 6.129 1.00 0.00 O ATOM 1122 CB GLU A 73 -10.789 -12.491 8.116 1.00 0.00 C ATOM 1123 CG GLU A 73 -11.493 -11.647 9.165 1.00 0.00 C ATOM 1124 CD GLU A 73 -12.930 -12.076 9.390 1.00 0.00 C ATOM 1125 OE1 GLU A 73 -13.740 -11.953 8.447 1.00 0.00 O ATOM 1126 OE2 GLU A 73 -13.246 -12.533 10.509 1.00 0.00 O ATOM 0 H GLU A 73 -10.649 -14.067 6.214 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.169 -11.830 6.606 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.070 -13.535 8.254 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.712 -12.427 8.273 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.946 -11.713 10.106 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.474 -10.601 8.858 1.00 0.00 H new ATOM 1133 N LYS A 74 -8.987 -11.008 6.186 1.00 0.00 N ATOM 1134 CA LYS A 74 -8.100 -9.906 5.833 1.00 0.00 C ATOM 1135 C LYS A 74 -8.463 -9.331 4.467 1.00 0.00 C ATOM 1136 O LYS A 74 -8.382 -8.122 4.251 1.00 0.00 O ATOM 1137 CB LYS A 74 -6.644 -10.378 5.829 1.00 0.00 C ATOM 1138 CG LYS A 74 -6.149 -10.834 7.190 1.00 0.00 C ATOM 1139 CD LYS A 74 -4.639 -11.010 7.204 1.00 0.00 C ATOM 1140 CE LYS A 74 -3.927 -9.693 7.469 1.00 0.00 C ATOM 1141 NZ LYS A 74 -4.090 -9.248 8.880 1.00 0.00 N ATOM 0 H LYS A 74 -8.514 -11.900 6.329 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.220 -9.122 6.581 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.539 -11.199 5.120 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.009 -9.567 5.474 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.438 -10.105 7.947 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.629 -11.776 7.456 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.363 -11.735 7.970 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.310 -11.417 6.248 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.866 -9.802 7.243 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.319 -8.927 6.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.365 -8.537 9.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.035 -8.832 9.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.984 -10.064 9.516 1.00 0.00 H new ATOM 1155 N ARG A 75 -8.864 -10.206 3.550 1.00 0.00 N ATOM 1156 CA ARG A 75 -9.240 -9.784 2.206 1.00 0.00 C ATOM 1157 C ARG A 75 -10.508 -8.937 2.237 1.00 0.00 C ATOM 1158 O ARG A 75 -10.616 -7.934 1.530 1.00 0.00 O ATOM 1159 CB ARG A 75 -9.451 -11.004 1.307 1.00 0.00 C ATOM 1160 CG ARG A 75 -9.494 -10.668 -0.175 1.00 0.00 C ATOM 1161 CD ARG A 75 -9.184 -11.885 -1.031 1.00 0.00 C ATOM 1162 NE ARG A 75 -8.848 -11.517 -2.404 1.00 0.00 N ATOM 1163 CZ ARG A 75 -9.744 -11.107 -3.295 1.00 0.00 C ATOM 1164 NH1 ARG A 75 -11.023 -11.012 -2.958 1.00 0.00 N ATOM 1165 NH2 ARG A 75 -9.361 -10.790 -4.525 1.00 0.00 N ATOM 0 H ARG A 75 -8.937 -11.210 3.713 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.429 -9.178 1.802 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -8.648 -11.720 1.486 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -10.383 -11.494 1.587 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.480 -10.282 -0.433 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.775 -9.877 -0.391 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.354 -12.436 -0.590 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.045 -12.554 -1.035 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.872 -11.578 -2.695 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.321 -11.254 -2.013 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.709 -10.697 -3.644 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.378 -10.861 -4.787 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.050 -10.475 -5.208 1.00 0.00 H new ATOM 1179 N THR A 76 -11.468 -9.346 3.061 1.00 0.00 N ATOM 1180 CA THR A 76 -12.729 -8.626 3.182 1.00 0.00 C ATOM 1181 C THR A 76 -12.558 -7.351 4.001 1.00 0.00 C ATOM 1182 O THR A 76 -12.731 -6.246 3.489 1.00 0.00 O ATOM 1183 CB THR A 76 -13.815 -9.501 3.837 1.00 0.00 C ATOM 1184 OG1 THR A 76 -13.990 -10.707 3.086 1.00 0.00 O ATOM 1185 CG2 THR A 76 -15.137 -8.752 3.919 1.00 0.00 C ATOM 0 H THR A 76 -11.396 -10.172 3.654 1.00 0.00 H new ATOM 0 HA THR A 76 -13.043 -8.366 2.171 1.00 0.00 H new ATOM 0 HB THR A 76 -13.492 -9.747 4.849 1.00 0.00 H new ATOM 0 HG1 THR A 76 -13.186 -11.261 3.165 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.888 -9.390 4.385 1.00 0.00 H new ATOM 0 HG22 THR A 76 -15.007 -7.849 4.515 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.464 -8.480 2.915 1.00 0.00 H new