USER MOD reduce.3.24.130724 H: found=0, std=0, add=291, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 293 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 GLN : amide:sc= 0.902 K(o=1.5,f=-19!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ 145:sc= 0.614 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 172:sc= 0.841 (180deg=0.567) USER MOD ----------------------------------------------------------------- ATOM 174 N VAL A 14 0.725 -21.316 -5.941 1.00 3.84 N ATOM 175 CA VAL A 14 -0.329 -20.349 -5.504 1.00 3.91 C ATOM 176 C VAL A 14 0.038 -19.786 -4.123 1.00 3.53 C ATOM 177 O VAL A 14 -0.164 -18.619 -3.850 1.00 3.49 O ATOM 178 CB VAL A 14 -1.630 -21.164 -5.458 1.00 4.23 C ATOM 179 CG1 VAL A 14 -2.695 -20.426 -4.644 1.00 4.33 C ATOM 180 CG2 VAL A 14 -2.153 -21.371 -6.884 1.00 4.66 C ATOM 0 HA VAL A 14 -0.431 -19.496 -6.175 1.00 3.91 H new ATOM 0 HB VAL A 14 -1.422 -22.126 -4.989 1.00 4.23 H new ATOM 0 HG11 VAL A 14 -3.610 -21.017 -4.622 1.00 4.33 H new ATOM 0 HG12 VAL A 14 -2.335 -20.275 -3.626 1.00 4.33 H new ATOM 0 HG13 VAL A 14 -2.899 -19.459 -5.104 1.00 4.33 H new ATOM 0 HG21 VAL A 14 -3.076 -21.949 -6.853 1.00 4.66 H new ATOM 0 HG22 VAL A 14 -2.347 -20.402 -7.345 1.00 4.66 H new ATOM 0 HG23 VAL A 14 -1.408 -21.909 -7.470 1.00 4.66 H new ATOM 190 N VAL A 15 0.608 -20.594 -3.258 1.00 3.28 N ATOM 191 CA VAL A 15 1.011 -20.072 -1.912 1.00 2.98 C ATOM 192 C VAL A 15 2.161 -19.074 -2.084 1.00 2.72 C ATOM 193 O VAL A 15 2.173 -18.016 -1.484 1.00 2.58 O ATOM 194 CB VAL A 15 1.454 -21.298 -1.093 1.00 2.88 C ATOM 195 CG1 VAL A 15 2.204 -20.842 0.164 1.00 2.61 C ATOM 196 CG2 VAL A 15 0.223 -22.110 -0.670 1.00 3.21 C ATOM 0 H VAL A 15 0.809 -21.580 -3.423 1.00 3.28 H new ATOM 0 HA VAL A 15 0.198 -19.551 -1.407 1.00 2.98 H new ATOM 0 HB VAL A 15 2.110 -21.914 -1.708 1.00 2.88 H new ATOM 0 HG11 VAL A 15 2.515 -21.714 0.739 1.00 2.61 H new ATOM 0 HG12 VAL A 15 3.083 -20.266 -0.126 1.00 2.61 H new ATOM 0 HG13 VAL A 15 1.548 -20.220 0.774 1.00 2.61 H new ATOM 0 HG21 VAL A 15 0.541 -22.977 -0.091 1.00 3.21 H new ATOM 0 HG22 VAL A 15 -0.432 -21.487 -0.061 1.00 3.21 H new ATOM 0 HG23 VAL A 15 -0.315 -22.444 -1.557 1.00 3.21 H new ATOM 206 N THR A 16 3.113 -19.400 -2.915 1.00 2.72 N ATOM 207 CA THR A 16 4.262 -18.468 -3.152 1.00 2.59 C ATOM 208 C THR A 16 3.749 -17.135 -3.690 1.00 2.68 C ATOM 209 O THR A 16 4.061 -16.084 -3.163 1.00 2.49 O ATOM 210 CB THR A 16 5.159 -19.157 -4.186 1.00 2.83 C ATOM 211 OG1 THR A 16 5.672 -20.358 -3.632 1.00 2.76 O ATOM 212 CG2 THR A 16 6.323 -18.235 -4.556 1.00 2.91 C ATOM 0 H THR A 16 3.148 -20.272 -3.443 1.00 2.72 H new ATOM 0 HA THR A 16 4.809 -18.258 -2.233 1.00 2.59 H new ATOM 0 HB THR A 16 4.576 -19.380 -5.080 1.00 2.83 H new ATOM 0 HG1 THR A 16 6.245 -20.803 -4.290 1.00 2.76 H new ATOM 0 HG21 THR A 16 6.958 -18.728 -5.291 1.00 2.91 H new ATOM 0 HG22 THR A 16 5.933 -17.308 -4.977 1.00 2.91 H new ATOM 0 HG23 THR A 16 6.907 -18.011 -3.664 1.00 2.91 H new ATOM 220 N VAL A 17 2.954 -17.171 -4.726 1.00 3.01 N ATOM 221 CA VAL A 17 2.414 -15.897 -5.282 1.00 3.15 C ATOM 222 C VAL A 17 1.506 -15.222 -4.249 1.00 3.02 C ATOM 223 O VAL A 17 1.534 -14.022 -4.101 1.00 2.94 O ATOM 224 CB VAL A 17 1.647 -16.258 -6.561 1.00 3.60 C ATOM 225 CG1 VAL A 17 2.588 -16.942 -7.557 1.00 3.80 C ATOM 226 CG2 VAL A 17 0.477 -17.193 -6.247 1.00 3.75 C ATOM 0 H VAL A 17 2.657 -18.020 -5.208 1.00 3.01 H new ATOM 0 HA VAL A 17 3.210 -15.190 -5.515 1.00 3.15 H new ATOM 0 HB VAL A 17 1.256 -15.338 -6.995 1.00 3.60 H new ATOM 0 HG11 VAL A 17 2.037 -17.196 -8.463 1.00 3.80 H new ATOM 0 HG12 VAL A 17 3.406 -16.267 -7.807 1.00 3.80 H new ATOM 0 HG13 VAL A 17 2.991 -17.851 -7.111 1.00 3.80 H new ATOM 0 HG21 VAL A 17 -0.052 -17.436 -7.168 1.00 3.75 H new ATOM 0 HG22 VAL A 17 0.855 -18.109 -5.794 1.00 3.75 H new ATOM 0 HG23 VAL A 17 -0.206 -16.701 -5.555 1.00 3.75 H new ATOM 236 N ILE A 18 0.725 -15.973 -3.505 1.00 3.05 N ATOM 237 CA ILE A 18 -0.139 -15.328 -2.464 1.00 3.05 C ATOM 238 C ILE A 18 0.748 -14.699 -1.393 1.00 2.67 C ATOM 239 O ILE A 18 0.469 -13.625 -0.906 1.00 2.63 O ATOM 240 CB ILE A 18 -1.020 -16.453 -1.893 1.00 3.27 C ATOM 241 CG1 ILE A 18 -2.207 -16.701 -2.830 1.00 3.72 C ATOM 242 CG2 ILE A 18 -1.561 -16.061 -0.513 1.00 3.30 C ATOM 243 CD1 ILE A 18 -2.975 -17.941 -2.362 1.00 3.95 C ATOM 0 H ILE A 18 0.649 -16.988 -3.572 1.00 3.05 H new ATOM 0 HA ILE A 18 -0.762 -14.530 -2.867 1.00 3.05 H new ATOM 0 HB ILE A 18 -0.414 -17.354 -1.803 1.00 3.27 H new ATOM 0 HG12 ILE A 18 -2.866 -15.833 -2.837 1.00 3.72 H new ATOM 0 HG13 ILE A 18 -1.855 -16.842 -3.852 1.00 3.72 H new ATOM 0 HG21 ILE A 18 -2.182 -16.867 -0.123 1.00 3.30 H new ATOM 0 HG22 ILE A 18 -0.728 -15.883 0.167 1.00 3.30 H new ATOM 0 HG23 ILE A 18 -2.158 -15.153 -0.601 1.00 3.30 H new ATOM 0 HD11 ILE A 18 -3.820 -18.119 -3.028 1.00 3.95 H new ATOM 0 HD12 ILE A 18 -2.313 -18.807 -2.377 1.00 3.95 H new ATOM 0 HD13 ILE A 18 -3.340 -17.781 -1.347 1.00 3.95 H new ATOM 255 N VAL A 19 1.828 -15.340 -1.043 1.00 2.45 N ATOM 256 CA VAL A 19 2.741 -14.745 -0.022 1.00 2.16 C ATOM 257 C VAL A 19 3.400 -13.486 -0.594 1.00 2.04 C ATOM 258 O VAL A 19 3.408 -12.449 0.045 1.00 1.95 O ATOM 259 CB VAL A 19 3.779 -15.829 0.293 1.00 2.07 C ATOM 260 CG1 VAL A 19 4.940 -15.219 1.087 1.00 1.95 C ATOM 261 CG2 VAL A 19 3.126 -16.930 1.132 1.00 2.25 C ATOM 0 H VAL A 19 2.118 -16.244 -1.415 1.00 2.45 H new ATOM 0 HA VAL A 19 2.214 -14.444 0.883 1.00 2.16 H new ATOM 0 HB VAL A 19 4.155 -16.247 -0.641 1.00 2.07 H new ATOM 0 HG11 VAL A 19 5.675 -15.993 1.309 1.00 1.95 H new ATOM 0 HG12 VAL A 19 5.409 -14.431 0.498 1.00 1.95 H new ATOM 0 HG13 VAL A 19 4.562 -14.799 2.019 1.00 1.95 H new ATOM 0 HG21 VAL A 19 3.863 -17.701 1.357 1.00 2.25 H new ATOM 0 HG22 VAL A 19 2.751 -16.504 2.063 1.00 2.25 H new ATOM 0 HG23 VAL A 19 2.299 -17.370 0.575 1.00 2.25 H new ATOM 271 N ILE A 20 3.936 -13.544 -1.793 1.00 2.14 N ATOM 272 CA ILE A 20 4.562 -12.318 -2.365 1.00 2.15 C ATOM 273 C ILE A 20 3.483 -11.267 -2.659 1.00 2.24 C ATOM 274 O ILE A 20 3.702 -10.085 -2.471 1.00 2.13 O ATOM 275 CB ILE A 20 5.323 -12.750 -3.632 1.00 2.42 C ATOM 276 CG1 ILE A 20 4.386 -13.401 -4.649 1.00 2.72 C ATOM 277 CG2 ILE A 20 6.424 -13.747 -3.263 1.00 2.42 C ATOM 278 CD1 ILE A 20 4.807 -12.986 -6.062 1.00 3.13 C ATOM 0 H ILE A 20 3.965 -14.373 -2.387 1.00 2.14 H new ATOM 0 HA ILE A 20 5.259 -11.855 -1.666 1.00 2.15 H new ATOM 0 HB ILE A 20 5.758 -11.856 -4.079 1.00 2.42 H new ATOM 0 HG12 ILE A 20 4.421 -14.486 -4.551 1.00 2.72 H new ATOM 0 HG13 ILE A 20 3.357 -13.097 -4.459 1.00 2.72 H new ATOM 0 HG21 ILE A 20 6.959 -14.049 -4.164 1.00 2.42 H new ATOM 0 HG22 ILE A 20 7.120 -13.279 -2.567 1.00 2.42 H new ATOM 0 HG23 ILE A 20 5.978 -14.625 -2.795 1.00 2.42 H new ATOM 0 HD11 ILE A 20 4.141 -13.448 -6.791 1.00 3.13 H new ATOM 0 HD12 ILE A 20 4.750 -11.901 -6.155 1.00 3.13 H new ATOM 0 HD13 ILE A 20 5.830 -13.312 -6.247 1.00 3.13 H new ATOM 290 N LEU A 21 2.304 -11.676 -3.066 1.00 2.48 N ATOM 291 CA LEU A 21 1.222 -10.670 -3.309 1.00 2.67 C ATOM 292 C LEU A 21 0.760 -10.120 -1.950 1.00 2.52 C ATOM 293 O LEU A 21 0.593 -8.924 -1.789 1.00 2.50 O ATOM 294 CB LEU A 21 0.108 -11.414 -4.083 1.00 3.06 C ATOM 295 CG LEU A 21 -1.176 -11.550 -3.254 1.00 3.21 C ATOM 296 CD1 LEU A 21 -1.923 -10.215 -3.224 1.00 3.38 C ATOM 297 CD2 LEU A 21 -2.077 -12.605 -3.898 1.00 3.56 C ATOM 0 H LEU A 21 2.047 -12.648 -3.238 1.00 2.48 H new ATOM 0 HA LEU A 21 1.544 -9.812 -3.899 1.00 2.67 H new ATOM 0 HB2 LEU A 21 -0.112 -10.878 -5.006 1.00 3.06 H new ATOM 0 HB3 LEU A 21 0.463 -12.405 -4.366 1.00 3.06 H new ATOM 0 HG LEU A 21 -0.916 -11.843 -2.237 1.00 3.21 H new ATOM 0 HD11 LEU A 21 -2.833 -10.321 -2.634 1.00 3.38 H new ATOM 0 HD12 LEU A 21 -1.286 -9.452 -2.776 1.00 3.38 H new ATOM 0 HD13 LEU A 21 -2.182 -9.920 -4.241 1.00 3.38 H new ATOM 0 HD21 LEU A 21 -2.992 -12.707 -3.314 1.00 3.56 H new ATOM 0 HD22 LEU A 21 -2.327 -12.299 -4.914 1.00 3.56 H new ATOM 0 HD23 LEU A 21 -1.555 -13.562 -3.925 1.00 3.56 H new ATOM 309 N ILE A 22 0.597 -10.972 -0.954 1.00 2.47 N ATOM 310 CA ILE A 22 0.196 -10.462 0.396 1.00 2.46 C ATOM 311 C ILE A 22 1.281 -9.502 0.893 1.00 2.15 C ATOM 312 O ILE A 22 0.997 -8.431 1.394 1.00 2.19 O ATOM 313 CB ILE A 22 0.084 -11.702 1.303 1.00 2.53 C ATOM 314 CG1 ILE A 22 -1.288 -12.358 1.104 1.00 2.92 C ATOM 315 CG2 ILE A 22 0.229 -11.296 2.774 1.00 2.56 C ATOM 316 CD1 ILE A 22 -1.339 -13.689 1.864 1.00 3.06 C ATOM 0 H ILE A 22 0.723 -11.982 -1.021 1.00 2.47 H new ATOM 0 HA ILE A 22 -0.749 -9.919 0.383 1.00 2.46 H new ATOM 0 HB ILE A 22 0.877 -12.402 1.040 1.00 2.53 H new ATOM 0 HG12 ILE A 22 -2.075 -11.694 1.461 1.00 2.92 H new ATOM 0 HG13 ILE A 22 -1.471 -12.527 0.043 1.00 2.92 H new ATOM 0 HG21 ILE A 22 0.148 -12.181 3.405 1.00 2.56 H new ATOM 0 HG22 ILE A 22 1.201 -10.828 2.928 1.00 2.56 H new ATOM 0 HG23 ILE A 22 -0.559 -10.590 3.036 1.00 2.56 H new ATOM 0 HD11 ILE A 22 -2.315 -14.153 1.721 1.00 3.06 H new ATOM 0 HD12 ILE A 22 -0.562 -14.354 1.486 1.00 3.06 H new ATOM 0 HD13 ILE A 22 -1.176 -13.508 2.926 1.00 3.06 H new ATOM 328 N ALA A 23 2.524 -9.872 0.725 1.00 1.92 N ATOM 329 CA ALA A 23 3.642 -8.978 1.151 1.00 1.72 C ATOM 330 C ALA A 23 3.612 -7.684 0.329 1.00 1.67 C ATOM 331 O ALA A 23 3.705 -6.602 0.871 1.00 1.61 O ATOM 332 CB ALA A 23 4.922 -9.773 0.879 1.00 1.67 C ATOM 0 H ALA A 23 2.814 -10.757 0.310 1.00 1.92 H new ATOM 0 HA ALA A 23 3.571 -8.690 2.200 1.00 1.72 H new ATOM 0 HB1 ALA A 23 5.788 -9.178 1.168 1.00 1.67 H new ATOM 0 HB2 ALA A 23 4.907 -10.697 1.458 1.00 1.67 H new ATOM 0 HB3 ALA A 23 4.984 -10.011 -0.183 1.00 1.67 H new ATOM 338 N ILE A 24 3.459 -7.781 -0.973 1.00 1.81 N ATOM 339 CA ILE A 24 3.396 -6.541 -1.814 1.00 1.90 C ATOM 340 C ILE A 24 2.215 -5.680 -1.347 1.00 1.95 C ATOM 341 O ILE A 24 2.348 -4.489 -1.137 1.00 1.87 O ATOM 342 CB ILE A 24 3.197 -7.035 -3.255 1.00 2.21 C ATOM 343 CG1 ILE A 24 4.542 -7.508 -3.827 1.00 2.32 C ATOM 344 CG2 ILE A 24 2.644 -5.906 -4.138 1.00 2.47 C ATOM 345 CD1 ILE A 24 5.555 -6.355 -3.826 1.00 2.51 C ATOM 0 H ILE A 24 3.376 -8.659 -1.486 1.00 1.81 H new ATOM 0 HA ILE A 24 4.293 -5.926 -1.738 1.00 1.90 H new ATOM 0 HB ILE A 24 2.485 -7.861 -3.245 1.00 2.21 H new ATOM 0 HG12 ILE A 24 4.925 -8.339 -3.234 1.00 2.32 H new ATOM 0 HG13 ILE A 24 4.403 -7.879 -4.843 1.00 2.32 H new ATOM 0 HG21 ILE A 24 2.509 -6.273 -5.155 1.00 2.47 H new ATOM 0 HG22 ILE A 24 1.685 -5.571 -3.743 1.00 2.47 H new ATOM 0 HG23 ILE A 24 3.345 -5.072 -4.143 1.00 2.47 H new ATOM 0 HD11 ILE A 24 6.504 -6.704 -4.234 1.00 2.51 H new ATOM 0 HD12 ILE A 24 5.176 -5.537 -4.438 1.00 2.51 H new ATOM 0 HD13 ILE A 24 5.706 -6.004 -2.805 1.00 2.51 H new ATOM 357 N ALA A 25 1.064 -6.283 -1.165 1.00 2.16 N ATOM 358 CA ALA A 25 -0.118 -5.507 -0.687 1.00 2.37 C ATOM 359 C ALA A 25 0.171 -4.936 0.700 1.00 2.22 C ATOM 360 O ALA A 25 -0.095 -3.781 0.974 1.00 2.27 O ATOM 361 CB ALA A 25 -1.270 -6.513 -0.644 1.00 2.69 C ATOM 0 H ALA A 25 0.895 -7.276 -1.327 1.00 2.16 H new ATOM 0 HA ALA A 25 -0.358 -4.663 -1.334 1.00 2.37 H new ATOM 0 HB1 ALA A 25 -2.176 -6.014 -0.301 1.00 2.69 H new ATOM 0 HB2 ALA A 25 -1.436 -6.919 -1.642 1.00 2.69 H new ATOM 0 HB3 ALA A 25 -1.020 -7.323 0.041 1.00 2.69 H new ATOM 367 N ALA A 26 0.743 -5.729 1.568 1.00 2.12 N ATOM 368 CA ALA A 26 1.081 -5.222 2.930 1.00 2.14 C ATOM 369 C ALA A 26 2.094 -4.077 2.807 1.00 1.89 C ATOM 370 O ALA A 26 1.965 -3.059 3.454 1.00 1.99 O ATOM 371 CB ALA A 26 1.682 -6.417 3.674 1.00 2.15 C ATOM 0 H ALA A 26 0.990 -6.703 1.393 1.00 2.12 H new ATOM 0 HA ALA A 26 0.214 -4.830 3.462 1.00 2.14 H new ATOM 0 HB1 ALA A 26 1.954 -6.116 4.686 1.00 2.15 H new ATOM 0 HB2 ALA A 26 0.949 -7.223 3.720 1.00 2.15 H new ATOM 0 HB3 ALA A 26 2.571 -6.764 3.147 1.00 2.15 H new ATOM 377 N LEU A 27 3.080 -4.226 1.953 1.00 1.66 N ATOM 378 CA LEU A 27 4.078 -3.134 1.756 1.00 1.52 C ATOM 379 C LEU A 27 3.356 -1.905 1.190 1.00 1.54 C ATOM 380 O LEU A 27 3.528 -0.798 1.666 1.00 1.53 O ATOM 381 CB LEU A 27 5.095 -3.692 0.749 1.00 1.47 C ATOM 382 CG LEU A 27 6.001 -2.564 0.249 1.00 1.51 C ATOM 383 CD1 LEU A 27 7.461 -3.018 0.287 1.00 1.82 C ATOM 384 CD2 LEU A 27 5.623 -2.198 -1.188 1.00 1.75 C ATOM 0 H LEU A 27 3.234 -5.059 1.385 1.00 1.66 H new ATOM 0 HA LEU A 27 4.572 -2.830 2.679 1.00 1.52 H new ATOM 0 HB2 LEU A 27 5.695 -4.472 1.218 1.00 1.47 H new ATOM 0 HB3 LEU A 27 4.574 -4.152 -0.091 1.00 1.47 H new ATOM 0 HG LEU A 27 5.874 -1.694 0.893 1.00 1.51 H new ATOM 0 HD11 LEU A 27 8.102 -2.212 -0.070 1.00 1.82 H new ATOM 0 HD12 LEU A 27 7.736 -3.274 1.310 1.00 1.82 H new ATOM 0 HD13 LEU A 27 7.587 -3.892 -0.352 1.00 1.82 H new ATOM 0 HD21 LEU A 27 6.270 -1.395 -1.541 1.00 1.75 H new ATOM 0 HD22 LEU A 27 5.745 -3.071 -1.830 1.00 1.75 H new ATOM 0 HD23 LEU A 27 4.585 -1.868 -1.218 1.00 1.75 H new ATOM 396 N GLY A 28 2.522 -2.105 0.193 1.00 1.66 N ATOM 397 CA GLY A 28 1.757 -0.964 -0.394 1.00 1.80 C ATOM 398 C GLY A 28 0.915 -0.320 0.708 1.00 1.93 C ATOM 399 O GLY A 28 0.885 0.888 0.852 1.00 1.92 O ATOM 0 H GLY A 28 2.341 -3.012 -0.237 1.00 1.66 H new ATOM 0 HA2 GLY A 28 2.441 -0.232 -0.824 1.00 1.80 H new ATOM 0 HA3 GLY A 28 1.116 -1.315 -1.203 1.00 1.80 H new ATOM 403 N ALA A 29 0.251 -1.123 1.507 1.00 2.12 N ATOM 404 CA ALA A 29 -0.567 -0.563 2.624 1.00 2.38 C ATOM 405 C ALA A 29 0.351 0.141 3.625 1.00 2.28 C ATOM 406 O ALA A 29 0.076 1.240 4.067 1.00 2.40 O ATOM 407 CB ALA A 29 -1.260 -1.771 3.262 1.00 2.65 C ATOM 0 H ALA A 29 0.242 -2.140 1.432 1.00 2.12 H new ATOM 0 HA ALA A 29 -1.296 0.174 2.286 1.00 2.38 H new ATOM 0 HB1 ALA A 29 -1.881 -1.437 4.093 1.00 2.65 H new ATOM 0 HB2 ALA A 29 -1.885 -2.267 2.519 1.00 2.65 H new ATOM 0 HB3 ALA A 29 -0.508 -2.470 3.629 1.00 2.65 H new ATOM 413 N LEU A 30 1.455 -0.475 3.952 1.00 2.11 N ATOM 414 CA LEU A 30 2.428 0.160 4.894 1.00 2.14 C ATOM 415 C LEU A 30 2.883 1.503 4.312 1.00 1.97 C ATOM 416 O LEU A 30 2.980 2.492 5.011 1.00 2.12 O ATOM 417 CB LEU A 30 3.603 -0.823 4.987 1.00 2.05 C ATOM 418 CG LEU A 30 3.337 -1.849 6.093 1.00 2.38 C ATOM 419 CD1 LEU A 30 4.172 -3.106 5.834 1.00 2.33 C ATOM 420 CD2 LEU A 30 3.727 -1.249 7.446 1.00 2.73 C ATOM 0 H LEU A 30 1.728 -1.395 3.607 1.00 2.11 H new ATOM 0 HA LEU A 30 2.001 0.356 5.878 1.00 2.14 H new ATOM 0 HB2 LEU A 30 3.740 -1.331 4.033 1.00 2.05 H new ATOM 0 HB3 LEU A 30 4.526 -0.282 5.195 1.00 2.05 H new ATOM 0 HG LEU A 30 2.279 -2.111 6.101 1.00 2.38 H new ATOM 0 HD11 LEU A 30 3.983 -3.837 6.621 1.00 2.33 H new ATOM 0 HD12 LEU A 30 3.898 -3.533 4.869 1.00 2.33 H new ATOM 0 HD13 LEU A 30 5.230 -2.845 5.828 1.00 2.33 H new ATOM 0 HD21 LEU A 30 3.539 -1.977 8.235 1.00 2.73 H new ATOM 0 HD22 LEU A 30 4.786 -0.989 7.437 1.00 2.73 H new ATOM 0 HD23 LEU A 30 3.135 -0.353 7.631 1.00 2.73 H new ATOM 432 N ILE A 31 3.135 1.546 3.024 1.00 1.71 N ATOM 433 CA ILE A 31 3.558 2.830 2.379 1.00 1.58 C ATOM 434 C ILE A 31 2.378 3.812 2.377 1.00 1.73 C ATOM 435 O ILE A 31 2.505 4.946 2.804 1.00 1.79 O ATOM 436 CB ILE A 31 3.967 2.447 0.950 1.00 1.41 C ATOM 437 CG1 ILE A 31 5.282 1.656 0.988 1.00 1.38 C ATOM 438 CG2 ILE A 31 4.153 3.708 0.096 1.00 1.44 C ATOM 439 CD1 ILE A 31 6.427 2.559 1.457 1.00 1.55 C ATOM 0 H ILE A 31 3.066 0.748 2.393 1.00 1.71 H new ATOM 0 HA ILE A 31 4.379 3.319 2.904 1.00 1.58 H new ATOM 0 HB ILE A 31 3.182 1.833 0.509 1.00 1.41 H new ATOM 0 HG12 ILE A 31 5.183 0.803 1.659 1.00 1.38 H new ATOM 0 HG13 ILE A 31 5.505 1.258 -0.002 1.00 1.38 H new ATOM 0 HG21 ILE A 31 4.443 3.423 -0.915 1.00 1.44 H new ATOM 0 HG22 ILE A 31 3.217 4.265 0.062 1.00 1.44 H new ATOM 0 HG23 ILE A 31 4.931 4.333 0.534 1.00 1.44 H new ATOM 0 HD11 ILE A 31 7.355 1.988 1.480 1.00 1.55 H new ATOM 0 HD12 ILE A 31 6.534 3.398 0.769 1.00 1.55 H new ATOM 0 HD13 ILE A 31 6.208 2.935 2.456 1.00 1.55 H new ATOM 451 N LEU A 32 1.227 3.374 1.921 1.00 1.87 N ATOM 452 CA LEU A 32 0.029 4.268 1.914 1.00 2.11 C ATOM 453 C LEU A 32 -0.243 4.779 3.335 1.00 2.32 C ATOM 454 O LEU A 32 -0.516 5.946 3.541 1.00 2.41 O ATOM 455 CB LEU A 32 -1.126 3.393 1.418 1.00 2.35 C ATOM 456 CG LEU A 32 -2.248 4.291 0.893 1.00 2.66 C ATOM 457 CD1 LEU A 32 -2.308 4.198 -0.633 1.00 2.78 C ATOM 458 CD2 LEU A 32 -3.586 3.836 1.482 1.00 3.10 C ATOM 0 H LEU A 32 1.068 2.436 1.554 1.00 1.87 H new ATOM 0 HA LEU A 32 0.165 5.143 1.279 1.00 2.11 H new ATOM 0 HB2 LEU A 32 -0.779 2.725 0.629 1.00 2.35 H new ATOM 0 HB3 LEU A 32 -1.496 2.765 2.228 1.00 2.35 H new ATOM 0 HG LEU A 32 -2.052 5.322 1.187 1.00 2.66 H new ATOM 0 HD11 LEU A 32 -3.108 4.838 -1.005 1.00 2.78 H new ATOM 0 HD12 LEU A 32 -1.357 4.523 -1.055 1.00 2.78 H new ATOM 0 HD13 LEU A 32 -2.502 3.167 -0.927 1.00 2.78 H new ATOM 0 HD21 LEU A 32 -4.385 4.476 1.108 1.00 3.10 H new ATOM 0 HD22 LEU A 32 -3.780 2.804 1.189 1.00 3.10 H new ATOM 0 HD23 LEU A 32 -3.547 3.903 2.569 1.00 3.10 H new ATOM 470 N GLY A 33 -0.149 3.914 4.315 1.00 2.44 N ATOM 471 CA GLY A 33 -0.377 4.341 5.728 1.00 2.72 C ATOM 472 C GLY A 33 0.779 5.238 6.184 1.00 2.64 C ATOM 473 O GLY A 33 0.574 6.211 6.882 1.00 2.84 O ATOM 0 H GLY A 33 0.077 2.927 4.195 1.00 2.44 H new ATOM 0 HA2 GLY A 33 -1.322 4.878 5.809 1.00 2.72 H new ATOM 0 HA3 GLY A 33 -0.451 3.467 6.376 1.00 2.72 H new ATOM 988 N GLN A 66 -14.160 16.578 7.880 1.00 1.67 N ATOM 989 CA GLN A 66 -15.092 17.740 7.959 1.00 1.51 C ATOM 990 C GLN A 66 -16.484 17.204 8.276 1.00 1.45 C ATOM 991 O GLN A 66 -17.129 17.623 9.213 1.00 1.41 O ATOM 992 CB GLN A 66 -15.060 18.374 6.563 1.00 1.55 C ATOM 993 CG GLN A 66 -14.510 19.799 6.646 1.00 1.72 C ATOM 994 CD GLN A 66 -14.989 20.594 5.433 1.00 1.98 C ATOM 995 OE1 GLN A 66 -16.017 21.241 5.480 1.00 2.21 O ATOM 996 NE2 GLN A 66 -14.296 20.564 4.337 1.00 2.35 N ATOM 0 HA GLN A 66 -14.821 18.467 8.725 1.00 1.51 H new ATOM 0 HB2 GLN A 66 -14.440 17.775 5.897 1.00 1.55 H new ATOM 0 HB3 GLN A 66 -16.064 18.387 6.138 1.00 1.55 H new ATOM 0 HG2 GLN A 66 -14.846 20.278 7.566 1.00 1.72 H new ATOM 0 HG3 GLN A 66 -13.421 19.780 6.676 1.00 1.72 H new ATOM 0 HE21 GLN A 66 -13.433 20.022 4.294 1.00 2.35 H new ATOM 0 HE22 GLN A 66 -14.614 21.082 3.518 1.00 2.35 H new ATOM 1005 N TYR A 67 -16.918 16.246 7.508 1.00 1.54 N ATOM 1006 CA TYR A 67 -18.250 15.615 7.746 1.00 1.61 C ATOM 1007 C TYR A 67 -18.208 14.796 9.039 1.00 1.70 C ATOM 1008 O TYR A 67 -19.111 14.850 9.851 1.00 1.72 O ATOM 1009 CB TYR A 67 -18.472 14.704 6.536 1.00 1.80 C ATOM 1010 CG TYR A 67 -19.825 14.992 5.932 1.00 1.84 C ATOM 1011 CD1 TYR A 67 -19.970 16.023 4.994 1.00 2.34 C ATOM 1012 CD2 TYR A 67 -20.937 14.230 6.310 1.00 1.87 C ATOM 1013 CE1 TYR A 67 -21.227 16.290 4.439 1.00 2.68 C ATOM 1014 CE2 TYR A 67 -22.192 14.500 5.754 1.00 2.26 C ATOM 1015 CZ TYR A 67 -22.334 15.528 4.819 1.00 2.59 C ATOM 1016 OH TYR A 67 -23.568 15.792 4.272 1.00 3.13 O ATOM 0 H TYR A 67 -16.402 15.867 6.714 1.00 1.54 H new ATOM 0 HA TYR A 67 -19.051 16.346 7.855 1.00 1.61 H new ATOM 0 HB2 TYR A 67 -17.689 14.867 5.796 1.00 1.80 H new ATOM 0 HB3 TYR A 67 -18.412 13.659 6.838 1.00 1.80 H new ATOM 0 HD1 TYR A 67 -19.113 16.611 4.700 1.00 2.34 H new ATOM 0 HD2 TYR A 67 -20.826 13.434 7.031 1.00 1.87 H new ATOM 0 HE1 TYR A 67 -21.341 17.085 3.717 1.00 2.68 H new ATOM 0 HE2 TYR A 67 -23.050 13.914 6.047 1.00 2.26 H new ATOM 0 HH TYR A 67 -24.230 15.171 4.642 1.00 3.13 H new ATOM 1026 N SER A 68 -17.152 14.051 9.228 1.00 1.82 N ATOM 1027 CA SER A 68 -17.003 13.218 10.465 1.00 1.99 C ATOM 1028 C SER A 68 -17.034 14.104 11.713 1.00 1.84 C ATOM 1029 O SER A 68 -17.589 13.733 12.721 1.00 1.95 O ATOM 1030 CB SER A 68 -15.643 12.531 10.334 1.00 2.17 C ATOM 1031 OG SER A 68 -15.716 11.240 10.923 1.00 2.80 O ATOM 0 H SER A 68 -16.374 13.981 8.572 1.00 1.82 H new ATOM 0 HA SER A 68 -17.814 12.496 10.566 1.00 1.99 H new ATOM 0 HB2 SER A 68 -15.362 12.450 9.284 1.00 2.17 H new ATOM 0 HB3 SER A 68 -14.873 13.125 10.825 1.00 2.17 H new ATOM 0 HG SER A 68 -14.848 10.793 10.841 1.00 2.80 H new ATOM 1037 N ALA A 69 -16.444 15.275 11.657 1.00 1.66 N ATOM 1038 CA ALA A 69 -16.459 16.179 12.848 1.00 1.58 C ATOM 1039 C ALA A 69 -17.747 17.010 12.864 1.00 1.49 C ATOM 1040 O ALA A 69 -18.383 17.163 13.890 1.00 1.51 O ATOM 1041 CB ALA A 69 -15.233 17.081 12.684 1.00 1.56 C ATOM 0 H ALA A 69 -15.955 15.641 10.840 1.00 1.66 H new ATOM 0 HA ALA A 69 -16.428 15.626 13.787 1.00 1.58 H new ATOM 0 HB1 ALA A 69 -15.176 17.774 13.523 1.00 1.56 H new ATOM 0 HB2 ALA A 69 -14.332 16.469 12.658 1.00 1.56 H new ATOM 0 HB3 ALA A 69 -15.317 17.643 11.754 1.00 1.56 H new ATOM 1047 N LYS A 70 -18.137 17.534 11.733 1.00 1.52 N ATOM 1048 CA LYS A 70 -19.391 18.358 11.666 1.00 1.59 C ATOM 1049 C LYS A 70 -20.610 17.509 12.004 1.00 1.68 C ATOM 1050 O LYS A 70 -21.454 17.910 12.772 1.00 1.74 O ATOM 1051 CB LYS A 70 -19.489 18.854 10.222 1.00 1.80 C ATOM 1052 CG LYS A 70 -18.532 20.023 10.036 1.00 1.86 C ATOM 1053 CD LYS A 70 -18.884 20.795 8.759 1.00 2.23 C ATOM 1054 CE LYS A 70 -18.046 20.265 7.592 1.00 2.44 C ATOM 1055 NZ LYS A 70 -18.163 21.301 6.519 1.00 2.61 N ATOM 0 H LYS A 70 -17.643 17.430 10.847 1.00 1.52 H new ATOM 0 HA LYS A 70 -19.360 19.181 12.380 1.00 1.59 H new ATOM 0 HB2 LYS A 70 -19.241 18.050 9.530 1.00 1.80 H new ATOM 0 HB3 LYS A 70 -20.510 19.163 9.998 1.00 1.80 H new ATOM 0 HG2 LYS A 70 -18.586 20.688 10.898 1.00 1.86 H new ATOM 0 HG3 LYS A 70 -17.507 19.658 9.978 1.00 1.86 H new ATOM 0 HD2 LYS A 70 -19.946 20.686 8.537 1.00 2.23 H new ATOM 0 HD3 LYS A 70 -18.696 21.859 8.902 1.00 2.23 H new ATOM 0 HE2 LYS A 70 -17.007 20.121 7.888 1.00 2.44 H new ATOM 0 HE3 LYS A 70 -18.417 19.299 7.248 1.00 2.44 H new ATOM 0 HZ1 LYS A 70 -17.265 21.365 5.998 1.00 2.61 H new ATOM 0 HZ2 LYS A 70 -18.926 21.037 5.863 1.00 2.61 H new ATOM 0 HZ3 LYS A 70 -18.380 22.223 6.949 1.00 2.61 H new ATOM 1069 N GLY A 71 -20.696 16.349 11.423 1.00 1.81 N ATOM 1070 CA GLY A 71 -21.862 15.432 11.683 1.00 2.05 C ATOM 1071 C GLY A 71 -22.216 15.446 13.175 1.00 2.01 C ATOM 1072 O GLY A 71 -23.279 15.906 13.547 1.00 2.10 O ATOM 0 H GLY A 71 -20.004 15.983 10.769 1.00 1.81 H new ATOM 0 HA2 GLY A 71 -22.723 15.748 11.093 1.00 2.05 H new ATOM 0 HA3 GLY A 71 -21.615 14.418 11.369 1.00 2.05 H new ATOM 1076 N PRO A 72 -21.301 14.966 13.985 1.00 1.96 N ATOM 1077 CA PRO A 72 -21.520 14.951 15.452 1.00 2.03 C ATOM 1078 C PRO A 72 -21.520 16.386 16.000 1.00 1.86 C ATOM 1079 O PRO A 72 -22.337 16.725 16.825 1.00 2.00 O ATOM 1080 CB PRO A 72 -20.341 14.141 15.988 1.00 2.10 C ATOM 1081 CG PRO A 72 -19.284 14.280 14.945 1.00 1.95 C ATOM 1082 CD PRO A 72 -20.000 14.394 13.624 1.00 1.95 C ATOM 0 HA PRO A 72 -22.477 14.520 15.745 1.00 2.03 H new ATOM 0 HB2 PRO A 72 -20.001 14.524 16.950 1.00 2.10 H new ATOM 0 HB3 PRO A 72 -20.614 13.097 16.139 1.00 2.10 H new ATOM 0 HG2 PRO A 72 -18.669 15.161 15.130 1.00 1.95 H new ATOM 0 HG3 PRO A 72 -18.617 13.418 14.952 1.00 1.95 H new ATOM 0 HD2 PRO A 72 -19.459 15.036 12.929 1.00 1.95 H new ATOM 0 HD3 PRO A 72 -20.109 13.422 13.142 1.00 1.95 H new ATOM 1090 N CYS A 73 -20.634 17.239 15.540 1.00 1.67 N ATOM 1091 CA CYS A 73 -20.638 18.650 16.049 1.00 1.67 C ATOM 1092 C CYS A 73 -22.002 19.300 15.779 1.00 1.82 C ATOM 1093 O CYS A 73 -22.540 20.013 16.607 1.00 1.96 O ATOM 1094 CB CYS A 73 -19.528 19.376 15.283 1.00 1.59 C ATOM 1095 SG CYS A 73 -19.274 21.016 16.006 1.00 2.06 S ATOM 0 H CYS A 73 -19.919 17.025 14.845 1.00 1.67 H new ATOM 0 HA CYS A 73 -20.467 18.696 17.125 1.00 1.67 H new ATOM 0 HB2 CYS A 73 -18.604 18.800 15.327 1.00 1.59 H new ATOM 0 HB3 CYS A 73 -19.797 19.468 14.231 1.00 1.59 H new ATOM 0 HG CYS A 73 -18.331 21.634 15.359 1.00 2.06 H new ATOM 1101 N VAL A 74 -22.575 19.031 14.636 1.00 1.86 N ATOM 1102 CA VAL A 74 -23.918 19.601 14.307 1.00 2.10 C ATOM 1103 C VAL A 74 -24.985 18.852 15.098 1.00 2.23 C ATOM 1104 O VAL A 74 -25.827 19.448 15.748 1.00 2.39 O ATOM 1105 CB VAL A 74 -24.091 19.397 12.795 1.00 2.19 C ATOM 1106 CG1 VAL A 74 -25.562 19.560 12.406 1.00 2.48 C ATOM 1107 CG2 VAL A 74 -23.259 20.438 12.044 1.00 2.24 C ATOM 0 H VAL A 74 -22.170 18.438 13.911 1.00 1.86 H new ATOM 0 HA VAL A 74 -24.008 20.656 14.565 1.00 2.10 H new ATOM 0 HB VAL A 74 -23.758 18.393 12.533 1.00 2.19 H new ATOM 0 HG11 VAL A 74 -25.673 19.413 11.332 1.00 2.48 H new ATOM 0 HG12 VAL A 74 -26.163 18.822 12.937 1.00 2.48 H new ATOM 0 HG13 VAL A 74 -25.900 20.562 12.672 1.00 2.48 H new ATOM 0 HG21 VAL A 74 -23.380 20.295 10.970 1.00 2.24 H new ATOM 0 HG22 VAL A 74 -23.595 21.438 12.317 1.00 2.24 H new ATOM 0 HG23 VAL A 74 -22.208 20.324 12.309 1.00 2.24 H new ATOM 1117 N GLU A 75 -24.936 17.549 15.073 1.00 2.24 N ATOM 1118 CA GLU A 75 -25.926 16.753 15.854 1.00 2.47 C ATOM 1119 C GLU A 75 -25.890 17.202 17.318 1.00 2.51 C ATOM 1120 O GLU A 75 -26.908 17.409 17.939 1.00 2.73 O ATOM 1121 CB GLU A 75 -25.472 15.296 15.719 1.00 2.56 C ATOM 1122 CG GLU A 75 -26.648 14.428 15.256 1.00 2.89 C ATOM 1123 CD GLU A 75 -27.531 14.068 16.450 1.00 3.18 C ATOM 1124 OE1 GLU A 75 -27.026 13.445 17.372 1.00 3.32 O ATOM 1125 OE2 GLU A 75 -28.699 14.422 16.426 1.00 3.37 O ATOM 0 H GLU A 75 -24.255 17.001 14.547 1.00 2.24 H new ATOM 0 HA GLU A 75 -26.948 16.882 15.497 1.00 2.47 H new ATOM 0 HB2 GLU A 75 -24.652 15.225 15.004 1.00 2.56 H new ATOM 0 HB3 GLU A 75 -25.094 14.933 16.675 1.00 2.56 H new ATOM 0 HG2 GLU A 75 -27.233 14.963 14.508 1.00 2.89 H new ATOM 0 HG3 GLU A 75 -26.276 13.520 14.781 1.00 2.89 H new ATOM 1132 N ARG A 76 -24.712 17.382 17.855 1.00 2.37 N ATOM 1133 CA ARG A 76 -24.581 17.839 19.274 1.00 2.50 C ATOM 1134 C ARG A 76 -25.155 19.249 19.429 1.00 2.59 C ATOM 1135 O ARG A 76 -25.946 19.506 20.317 1.00 2.83 O ATOM 1136 CB ARG A 76 -23.078 17.825 19.578 1.00 2.38 C ATOM 1137 CG ARG A 76 -22.727 16.566 20.379 1.00 2.58 C ATOM 1138 CD ARG A 76 -22.641 15.366 19.432 1.00 2.55 C ATOM 1139 NE ARG A 76 -23.622 14.377 19.967 1.00 2.89 N ATOM 1140 CZ ARG A 76 -24.641 14.010 19.256 1.00 2.98 C ATOM 1141 NH1 ARG A 76 -24.466 13.402 18.132 1.00 2.98 N ATOM 1142 NH2 ARG A 76 -25.835 14.224 19.686 1.00 3.11 N ATOM 0 H ARG A 76 -23.828 17.231 17.370 1.00 2.37 H new ATOM 0 HA ARG A 76 -25.130 17.196 19.962 1.00 2.50 H new ATOM 0 HB2 ARG A 76 -22.509 17.848 18.649 1.00 2.38 H new ATOM 0 HB3 ARG A 76 -22.803 18.716 20.142 1.00 2.38 H new ATOM 0 HG2 ARG A 76 -21.777 16.704 20.896 1.00 2.58 H new ATOM 0 HG3 ARG A 76 -23.483 16.386 21.144 1.00 2.58 H new ATOM 0 HD2 ARG A 76 -22.888 15.652 18.410 1.00 2.55 H new ATOM 0 HD3 ARG A 76 -21.633 14.951 19.412 1.00 2.55 H new ATOM 0 HE ARG A 76 -23.489 13.987 20.900 1.00 2.89 H new ATOM 0 HH11 ARG A 76 -23.522 13.208 17.799 1.00 2.98 H new ATOM 0 HH12 ARG A 76 -25.272 13.115 17.576 1.00 2.98 H new ATOM 0 HH21 ARG A 76 -25.978 14.682 20.586 1.00 3.11 H new ATOM 0 HH22 ARG A 76 -26.638 13.935 19.127 1.00 3.11 H new ATOM 1156 N LYS A 77 -24.784 20.165 18.567 1.00 2.47 N ATOM 1157 CA LYS A 77 -25.347 21.551 18.680 1.00 2.68 C ATOM 1158 C LYS A 77 -26.873 21.501 18.480 1.00 2.86 C ATOM 1159 O LYS A 77 -27.617 22.251 19.088 1.00 3.13 O ATOM 1160 CB LYS A 77 -24.620 22.391 17.607 1.00 2.60 C ATOM 1161 CG LYS A 77 -25.378 22.395 16.270 1.00 2.66 C ATOM 1162 CD LYS A 77 -25.791 23.830 15.924 1.00 2.98 C ATOM 1163 CE LYS A 77 -27.288 23.880 15.601 1.00 3.14 C ATOM 1164 NZ LYS A 77 -27.838 24.953 16.484 1.00 3.31 N ATOM 0 H LYS A 77 -24.126 20.019 17.801 1.00 2.47 H new ATOM 0 HA LYS A 77 -25.189 22.000 19.660 1.00 2.68 H new ATOM 0 HB2 LYS A 77 -24.507 23.415 17.963 1.00 2.60 H new ATOM 0 HB3 LYS A 77 -23.616 21.994 17.454 1.00 2.60 H new ATOM 0 HG2 LYS A 77 -24.748 21.986 15.481 1.00 2.66 H new ATOM 0 HG3 LYS A 77 -26.259 21.757 16.337 1.00 2.66 H new ATOM 0 HD2 LYS A 77 -25.568 24.493 16.760 1.00 2.98 H new ATOM 0 HD3 LYS A 77 -25.214 24.188 15.071 1.00 2.98 H new ATOM 0 HE2 LYS A 77 -27.457 24.109 14.549 1.00 3.14 H new ATOM 0 HE3 LYS A 77 -27.767 22.921 15.800 1.00 3.14 H new ATOM 0 HZ1 LYS A 77 -28.861 25.047 16.320 1.00 3.31 H new ATOM 0 HZ2 LYS A 77 -27.668 24.704 17.479 1.00 3.31 H new ATOM 0 HZ3 LYS A 77 -27.368 25.855 16.268 1.00 3.31 H new ATOM 1178 N ALA A 78 -27.337 20.592 17.661 1.00 2.77 N ATOM 1179 CA ALA A 78 -28.808 20.443 17.439 1.00 2.99 C ATOM 1180 C ALA A 78 -29.444 19.822 18.685 1.00 3.18 C ATOM 1181 O ALA A 78 -30.483 20.258 19.148 1.00 3.43 O ATOM 1182 CB ALA A 78 -28.934 19.510 16.231 1.00 2.91 C ATOM 0 H ALA A 78 -26.756 19.942 17.132 1.00 2.77 H new ATOM 0 HA ALA A 78 -29.312 21.392 17.259 1.00 2.99 H new ATOM 0 HB1 ALA A 78 -29.988 19.350 16.003 1.00 2.91 H new ATOM 0 HB2 ALA A 78 -28.441 19.961 15.370 1.00 2.91 H new ATOM 0 HB3 ALA A 78 -28.463 18.554 16.459 1.00 2.91 H new ATOM 1188 N LYS A 79 -28.812 18.822 19.241 1.00 3.13 N ATOM 1189 CA LYS A 79 -29.349 18.174 20.482 1.00 3.39 C ATOM 1190 C LYS A 79 -29.241 19.153 21.659 1.00 3.53 C ATOM 1191 O LYS A 79 -30.074 19.171 22.540 1.00 3.78 O ATOM 1192 CB LYS A 79 -28.459 16.947 20.736 1.00 3.34 C ATOM 1193 CG LYS A 79 -28.662 15.891 19.639 1.00 3.32 C ATOM 1194 CD LYS A 79 -30.149 15.593 19.479 1.00 3.67 C ATOM 1195 CE LYS A 79 -30.659 16.207 18.173 1.00 3.85 C ATOM 1196 NZ LYS A 79 -30.933 15.038 17.288 1.00 4.00 N ATOM 0 H LYS A 79 -27.942 18.422 18.890 1.00 3.13 H new ATOM 0 HA LYS A 79 -30.396 17.892 20.373 1.00 3.39 H new ATOM 0 HB2 LYS A 79 -27.413 17.251 20.766 1.00 3.34 H new ATOM 0 HB3 LYS A 79 -28.694 16.517 21.710 1.00 3.34 H new ATOM 0 HG2 LYS A 79 -28.250 16.249 18.696 1.00 3.32 H new ATOM 0 HG3 LYS A 79 -28.124 14.978 19.896 1.00 3.32 H new ATOM 0 HD2 LYS A 79 -30.316 14.516 19.476 1.00 3.67 H new ATOM 0 HD3 LYS A 79 -30.704 15.999 20.325 1.00 3.67 H new ATOM 0 HE2 LYS A 79 -31.560 16.798 18.338 1.00 3.85 H new ATOM 0 HE3 LYS A 79 -29.917 16.873 17.732 1.00 3.85 H new ATOM 0 HZ1 LYS A 79 -31.412 15.362 16.424 1.00 4.00 H new ATOM 0 HZ2 LYS A 79 -30.036 14.577 17.034 1.00 4.00 H new ATOM 0 HZ3 LYS A 79 -31.542 14.359 17.788 1.00 4.00 H new ATOM 1210 N LEU A 80 -28.213 19.966 21.670 1.00 3.42 N ATOM 1211 CA LEU A 80 -28.033 20.955 22.773 1.00 3.62 C ATOM 1212 C LEU A 80 -29.020 22.122 22.613 1.00 3.80 C ATOM 1213 O LEU A 80 -29.481 22.696 23.581 1.00 4.08 O ATOM 1214 CB LEU A 80 -26.586 21.435 22.632 1.00 3.47 C ATOM 1215 CG LEU A 80 -26.282 22.483 23.702 1.00 3.71 C ATOM 1216 CD1 LEU A 80 -25.188 21.955 24.631 1.00 3.76 C ATOM 1217 CD2 LEU A 80 -25.803 23.770 23.029 1.00 3.77 C ATOM 0 H LEU A 80 -27.486 19.985 20.955 1.00 3.42 H new ATOM 0 HA LEU A 80 -28.224 20.524 23.756 1.00 3.62 H new ATOM 0 HB2 LEU A 80 -25.902 20.592 22.731 1.00 3.47 H new ATOM 0 HB3 LEU A 80 -26.429 21.858 21.640 1.00 3.47 H new ATOM 0 HG LEU A 80 -27.183 22.689 24.280 1.00 3.71 H new ATOM 0 HD11 LEU A 80 -24.969 22.700 25.395 1.00 3.76 H new ATOM 0 HD12 LEU A 80 -25.528 21.036 25.108 1.00 3.76 H new ATOM 0 HD13 LEU A 80 -24.286 21.752 24.053 1.00 3.76 H new ATOM 0 HD21 LEU A 80 -25.585 24.519 23.790 1.00 3.77 H new ATOM 0 HD22 LEU A 80 -24.901 23.565 22.453 1.00 3.77 H new ATOM 0 HD23 LEU A 80 -26.581 24.144 22.364 1.00 3.77 H new