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= 0.294 K(o=0.93,f=-23!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ -179:sc= 0.639 (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+ 139:sc= 0.83 (180deg=-0.779!) USER MOD ----------------------------------------------------------------- ATOM 174 N VAL A 14 0.736 -21.294 -5.804 1.00 2.32 N ATOM 175 CA VAL A 14 -0.346 -20.355 -5.364 1.00 2.37 C ATOM 176 C VAL A 14 0.026 -19.747 -4.004 1.00 2.08 C ATOM 177 O VAL A 14 -0.171 -18.572 -3.768 1.00 2.06 O ATOM 178 CB VAL A 14 -1.615 -21.216 -5.264 1.00 2.66 C ATOM 179 CG1 VAL A 14 -2.667 -20.520 -4.392 1.00 2.77 C ATOM 180 CG2 VAL A 14 -2.197 -21.429 -6.665 1.00 3.03 C ATOM 0 HA VAL A 14 -0.491 -19.524 -6.054 1.00 2.37 H new ATOM 0 HB VAL A 14 -1.352 -22.174 -4.814 1.00 2.66 H new ATOM 0 HG11 VAL A 14 -3.559 -21.143 -4.332 1.00 2.77 H new ATOM 0 HG12 VAL A 14 -2.265 -20.364 -3.391 1.00 2.77 H new ATOM 0 HG13 VAL A 14 -2.926 -19.557 -4.833 1.00 2.77 H new ATOM 0 HG21 VAL A 14 -3.097 -22.040 -6.596 1.00 3.03 H new ATOM 0 HG22 VAL A 14 -2.446 -20.464 -7.106 1.00 3.03 H new ATOM 0 HG23 VAL A 14 -1.462 -21.935 -7.291 1.00 3.03 H new ATOM 190 N VAL A 15 0.589 -20.530 -3.116 1.00 1.90 N ATOM 191 CA VAL A 15 0.994 -19.975 -1.785 1.00 1.70 C ATOM 192 C VAL A 15 2.144 -18.984 -1.980 1.00 1.48 C ATOM 193 O VAL A 15 2.162 -17.915 -1.403 1.00 1.44 O ATOM 194 CB VAL A 15 1.431 -21.189 -0.947 1.00 1.65 C ATOM 195 CG1 VAL A 15 2.178 -20.726 0.309 1.00 1.59 C ATOM 196 CG2 VAL A 15 0.197 -21.990 -0.520 1.00 1.92 C ATOM 0 H VAL A 15 0.785 -21.522 -3.253 1.00 1.90 H new ATOM 0 HA VAL A 15 0.188 -19.435 -1.288 1.00 1.70 H new ATOM 0 HB VAL A 15 2.090 -21.811 -1.553 1.00 1.65 H new ATOM 0 HG11 VAL A 15 2.482 -21.595 0.893 1.00 1.59 H new ATOM 0 HG12 VAL A 15 3.061 -20.158 0.018 1.00 1.59 H new ATOM 0 HG13 VAL A 15 1.523 -20.096 0.910 1.00 1.59 H new ATOM 0 HG21 VAL A 15 0.509 -22.850 0.073 1.00 1.92 H new ATOM 0 HG22 VAL A 15 -0.460 -21.356 0.076 1.00 1.92 H new ATOM 0 HG23 VAL A 15 -0.337 -22.335 -1.405 1.00 1.92 H new ATOM 206 N THR A 16 3.088 -19.330 -2.811 1.00 1.43 N ATOM 207 CA THR A 16 4.241 -18.414 -3.079 1.00 1.35 C ATOM 208 C THR A 16 3.732 -17.099 -3.664 1.00 1.41 C ATOM 209 O THR A 16 4.034 -16.030 -3.167 1.00 1.34 O ATOM 210 CB THR A 16 5.130 -19.146 -4.093 1.00 1.53 C ATOM 211 OG1 THR A 16 5.633 -20.336 -3.507 1.00 1.54 O ATOM 212 CG2 THR A 16 6.301 -18.250 -4.497 1.00 1.63 C ATOM 0 H THR A 16 3.113 -20.213 -3.321 1.00 1.43 H new ATOM 0 HA THR A 16 4.792 -18.175 -2.170 1.00 1.35 H new ATOM 0 HB THR A 16 4.540 -19.391 -4.976 1.00 1.53 H new ATOM 0 HG1 THR A 16 6.200 -20.805 -4.154 1.00 1.54 H new ATOM 0 HG21 THR A 16 6.929 -18.775 -5.217 1.00 1.63 H new ATOM 0 HG22 THR A 16 5.919 -17.334 -4.948 1.00 1.63 H new ATOM 0 HG23 THR A 16 6.891 -18.002 -3.614 1.00 1.63 H new ATOM 220 N VAL A 17 2.949 -17.170 -4.707 1.00 1.60 N ATOM 221 CA VAL A 17 2.409 -15.921 -5.315 1.00 1.73 C ATOM 222 C VAL A 17 1.486 -15.212 -4.315 1.00 1.71 C ATOM 223 O VAL A 17 1.472 -14.001 -4.245 1.00 1.72 O ATOM 224 CB VAL A 17 1.655 -16.347 -6.585 1.00 2.07 C ATOM 225 CG1 VAL A 17 2.599 -17.103 -7.523 1.00 2.20 C ATOM 226 CG2 VAL A 17 0.467 -17.246 -6.234 1.00 2.22 C ATOM 0 H VAL A 17 2.661 -18.036 -5.163 1.00 1.60 H new ATOM 0 HA VAL A 17 3.199 -15.214 -5.568 1.00 1.73 H new ATOM 0 HB VAL A 17 1.285 -15.449 -7.079 1.00 2.07 H new ATOM 0 HG11 VAL A 17 2.058 -17.402 -8.421 1.00 2.20 H new ATOM 0 HG12 VAL A 17 3.432 -16.456 -7.800 1.00 2.20 H new ATOM 0 HG13 VAL A 17 2.981 -17.990 -7.018 1.00 2.20 H new ATOM 0 HG21 VAL A 17 -0.052 -17.536 -7.147 1.00 2.22 H new ATOM 0 HG22 VAL A 17 0.825 -18.139 -5.722 1.00 2.22 H new ATOM 0 HG23 VAL A 17 -0.219 -16.705 -5.583 1.00 2.22 H new ATOM 236 N ILE A 18 0.741 -15.945 -3.514 1.00 1.77 N ATOM 237 CA ILE A 18 -0.140 -15.272 -2.507 1.00 1.89 C ATOM 238 C ILE A 18 0.731 -14.617 -1.444 1.00 1.71 C ATOM 239 O ILE A 18 0.486 -13.506 -1.049 1.00 1.81 O ATOM 240 CB ILE A 18 -1.034 -16.372 -1.912 1.00 2.06 C ATOM 241 CG1 ILE A 18 -2.222 -16.623 -2.847 1.00 2.37 C ATOM 242 CG2 ILE A 18 -1.563 -15.929 -0.542 1.00 2.21 C ATOM 243 CD1 ILE A 18 -3.100 -17.739 -2.274 1.00 2.85 C ATOM 0 H ILE A 18 0.706 -16.964 -3.515 1.00 1.77 H new ATOM 0 HA ILE A 18 -0.757 -14.489 -2.947 1.00 1.89 H new ATOM 0 HB ILE A 18 -0.449 -17.285 -1.799 1.00 2.06 H new ATOM 0 HG12 ILE A 18 -2.806 -15.710 -2.962 1.00 2.37 H new ATOM 0 HG13 ILE A 18 -1.865 -16.900 -3.839 1.00 2.37 H new ATOM 0 HG21 ILE A 18 -2.196 -16.713 -0.126 1.00 2.21 H new ATOM 0 HG22 ILE A 18 -0.724 -15.745 0.130 1.00 2.21 H new ATOM 0 HG23 ILE A 18 -2.145 -15.014 -0.655 1.00 2.21 H new ATOM 0 HD11 ILE A 18 -3.944 -17.916 -2.940 1.00 2.85 H new ATOM 0 HD12 ILE A 18 -2.513 -18.653 -2.182 1.00 2.85 H new ATOM 0 HD13 ILE A 18 -3.469 -17.444 -1.292 1.00 2.85 H new ATOM 255 N VAL A 19 1.763 -15.276 -1.006 1.00 1.52 N ATOM 256 CA VAL A 19 2.668 -14.648 0.007 1.00 1.46 C ATOM 257 C VAL A 19 3.327 -13.420 -0.629 1.00 1.40 C ATOM 258 O VAL A 19 3.422 -12.370 -0.022 1.00 1.53 O ATOM 259 CB VAL A 19 3.705 -15.724 0.359 1.00 1.36 C ATOM 260 CG1 VAL A 19 4.871 -15.099 1.130 1.00 1.46 C ATOM 261 CG2 VAL A 19 3.053 -16.798 1.232 1.00 1.49 C ATOM 0 H VAL A 19 2.023 -16.217 -1.300 1.00 1.52 H new ATOM 0 HA VAL A 19 2.147 -14.316 0.905 1.00 1.46 H new ATOM 0 HB VAL A 19 4.077 -16.169 -0.564 1.00 1.36 H new ATOM 0 HG11 VAL A 19 5.601 -15.871 1.375 1.00 1.46 H new ATOM 0 HG12 VAL A 19 5.345 -14.333 0.516 1.00 1.46 H new ATOM 0 HG13 VAL A 19 4.499 -14.647 2.049 1.00 1.46 H new ATOM 0 HG21 VAL A 19 3.790 -17.561 1.481 1.00 1.49 H new ATOM 0 HG22 VAL A 19 2.677 -16.343 2.149 1.00 1.49 H new ATOM 0 HG23 VAL A 19 2.226 -17.256 0.689 1.00 1.49 H new ATOM 271 N ILE A 20 3.752 -13.538 -1.865 1.00 1.31 N ATOM 272 CA ILE A 20 4.375 -12.370 -2.560 1.00 1.34 C ATOM 273 C ILE A 20 3.327 -11.267 -2.726 1.00 1.48 C ATOM 274 O ILE A 20 3.551 -10.127 -2.371 1.00 1.54 O ATOM 275 CB ILE A 20 4.845 -12.906 -3.921 1.00 1.40 C ATOM 276 CG1 ILE A 20 6.025 -13.858 -3.717 1.00 1.38 C ATOM 277 CG2 ILE A 20 5.294 -11.746 -4.816 1.00 1.58 C ATOM 278 CD1 ILE A 20 6.282 -14.637 -5.009 1.00 1.59 C ATOM 0 H ILE A 20 3.694 -14.392 -2.420 1.00 1.31 H new ATOM 0 HA ILE A 20 5.209 -11.941 -2.005 1.00 1.34 H new ATOM 0 HB ILE A 20 4.018 -13.434 -4.396 1.00 1.40 H new ATOM 0 HG12 ILE A 20 6.915 -13.296 -3.436 1.00 1.38 H new ATOM 0 HG13 ILE A 20 5.812 -14.548 -2.900 1.00 1.38 H new ATOM 0 HG21 ILE A 20 5.625 -12.136 -5.778 1.00 1.58 H new ATOM 0 HG22 ILE A 20 4.460 -11.061 -4.970 1.00 1.58 H new ATOM 0 HG23 ILE A 20 6.116 -11.214 -4.337 1.00 1.58 H new ATOM 0 HD11 ILE A 20 7.123 -15.315 -4.864 1.00 1.59 H new ATOM 0 HD12 ILE A 20 5.393 -15.211 -5.270 1.00 1.59 H new ATOM 0 HD13 ILE A 20 6.513 -13.940 -5.814 1.00 1.59 H new ATOM 290 N LEU A 21 2.175 -11.608 -3.240 1.00 1.61 N ATOM 291 CA LEU A 21 1.094 -10.586 -3.407 1.00 1.83 C ATOM 292 C LEU A 21 0.705 -10.043 -2.023 1.00 1.92 C ATOM 293 O LEU A 21 0.528 -8.851 -1.849 1.00 2.03 O ATOM 294 CB LEU A 21 -0.065 -11.318 -4.122 1.00 2.07 C ATOM 295 CG LEU A 21 -1.273 -11.512 -3.194 1.00 2.29 C ATOM 296 CD1 LEU A 21 -2.053 -10.201 -3.075 1.00 2.50 C ATOM 297 CD2 LEU A 21 -2.189 -12.586 -3.782 1.00 2.52 C ATOM 0 H LEU A 21 1.934 -12.549 -3.552 1.00 1.61 H new ATOM 0 HA LEU A 21 1.396 -9.722 -3.999 1.00 1.83 H new ATOM 0 HB2 LEU A 21 -0.369 -10.748 -5.000 1.00 2.07 H new ATOM 0 HB3 LEU A 21 0.281 -12.289 -4.476 1.00 2.07 H new ATOM 0 HG LEU A 21 -0.924 -11.816 -2.207 1.00 2.29 H new ATOM 0 HD11 LEU A 21 -2.909 -10.345 -2.415 1.00 2.50 H new ATOM 0 HD12 LEU A 21 -1.404 -9.428 -2.664 1.00 2.50 H new ATOM 0 HD13 LEU A 21 -2.403 -9.895 -4.061 1.00 2.50 H new ATOM 0 HD21 LEU A 21 -3.049 -12.729 -3.128 1.00 2.52 H new ATOM 0 HD22 LEU A 21 -2.531 -12.272 -4.768 1.00 2.52 H new ATOM 0 HD23 LEU A 21 -1.640 -13.524 -3.870 1.00 2.52 H new ATOM 309 N ILE A 22 0.613 -10.900 -1.032 1.00 1.93 N ATOM 310 CA ILE A 22 0.283 -10.423 0.347 1.00 2.12 C ATOM 311 C ILE A 22 1.379 -9.457 0.800 1.00 2.05 C ATOM 312 O ILE A 22 1.108 -8.398 1.331 1.00 2.25 O ATOM 313 CB ILE A 22 0.254 -11.688 1.223 1.00 2.17 C ATOM 314 CG1 ILE A 22 -1.069 -12.439 1.003 1.00 2.41 C ATOM 315 CG2 ILE A 22 0.391 -11.314 2.705 1.00 2.40 C ATOM 316 CD1 ILE A 22 -2.232 -11.700 1.681 1.00 2.82 C ATOM 0 H ILE A 22 0.752 -11.907 -1.120 1.00 1.93 H new ATOM 0 HA ILE A 22 -0.669 -9.895 0.405 1.00 2.12 H new ATOM 0 HB ILE A 22 1.090 -12.329 0.942 1.00 2.17 H new ATOM 0 HG12 ILE A 22 -1.265 -12.534 -0.065 1.00 2.41 H new ATOM 0 HG13 ILE A 22 -0.990 -13.449 1.404 1.00 2.41 H new ATOM 0 HG21 ILE A 22 0.369 -12.219 3.312 1.00 2.40 H new ATOM 0 HG22 ILE A 22 1.336 -10.794 2.863 1.00 2.40 H new ATOM 0 HG23 ILE A 22 -0.434 -10.663 2.994 1.00 2.40 H new ATOM 0 HD11 ILE A 22 -3.159 -12.248 1.513 1.00 2.82 H new ATOM 0 HD12 ILE A 22 -2.042 -11.628 2.752 1.00 2.82 H new ATOM 0 HD13 ILE A 22 -2.322 -10.699 1.260 1.00 2.82 H new ATOM 328 N ALA A 23 2.619 -9.807 0.562 1.00 1.84 N ATOM 329 CA ALA A 23 3.751 -8.905 0.950 1.00 1.88 C ATOM 330 C ALA A 23 3.678 -7.604 0.137 1.00 1.88 C ATOM 331 O ALA A 23 3.810 -6.527 0.682 1.00 2.04 O ATOM 332 CB ALA A 23 5.018 -9.689 0.616 1.00 1.75 C ATOM 0 H ALA A 23 2.898 -10.680 0.115 1.00 1.84 H new ATOM 0 HA ALA A 23 3.723 -8.624 2.003 1.00 1.88 H new ATOM 0 HB1 ALA A 23 5.893 -9.092 0.873 1.00 1.75 H new ATOM 0 HB2 ALA A 23 5.032 -10.618 1.186 1.00 1.75 H new ATOM 0 HB3 ALA A 23 5.034 -9.917 -0.450 1.00 1.75 H new ATOM 338 N ILE A 24 3.442 -7.703 -1.152 1.00 1.76 N ATOM 339 CA ILE A 24 3.323 -6.475 -1.999 1.00 1.81 C ATOM 340 C ILE A 24 2.171 -5.626 -1.460 1.00 2.00 C ATOM 341 O ILE A 24 2.319 -4.442 -1.223 1.00 2.10 O ATOM 342 CB ILE A 24 3.009 -6.982 -3.425 1.00 1.79 C ATOM 343 CG1 ILE A 24 4.255 -7.651 -4.026 1.00 1.75 C ATOM 344 CG2 ILE A 24 2.597 -5.802 -4.312 1.00 1.97 C ATOM 345 CD1 ILE A 24 5.423 -6.660 -4.067 1.00 1.77 C ATOM 0 H ILE A 24 3.327 -8.584 -1.653 1.00 1.76 H new ATOM 0 HA ILE A 24 4.226 -5.864 -1.995 1.00 1.81 H new ATOM 0 HB ILE A 24 2.195 -7.705 -3.373 1.00 1.79 H new ATOM 0 HG12 ILE A 24 4.530 -8.523 -3.433 1.00 1.75 H new ATOM 0 HG13 ILE A 24 4.035 -8.007 -5.033 1.00 1.75 H new ATOM 0 HG21 ILE A 24 2.376 -6.162 -5.317 1.00 1.97 H new ATOM 0 HG22 ILE A 24 1.710 -5.325 -3.894 1.00 1.97 H new ATOM 0 HG23 ILE A 24 3.411 -5.079 -4.357 1.00 1.97 H new ATOM 0 HD11 ILE A 24 6.299 -7.147 -4.495 1.00 1.77 H new ATOM 0 HD12 ILE A 24 5.150 -5.801 -4.680 1.00 1.77 H new ATOM 0 HD13 ILE A 24 5.652 -6.326 -3.055 1.00 1.77 H new ATOM 357 N ALA A 25 1.033 -6.234 -1.248 1.00 2.12 N ATOM 358 CA ALA A 25 -0.133 -5.482 -0.701 1.00 2.39 C ATOM 359 C ALA A 25 0.208 -4.920 0.678 1.00 2.52 C ATOM 360 O ALA A 25 -0.055 -3.771 0.966 1.00 2.68 O ATOM 361 CB ALA A 25 -1.274 -6.503 -0.618 1.00 2.54 C ATOM 0 H ALA A 25 0.861 -7.223 -1.431 1.00 2.12 H new ATOM 0 HA ALA A 25 -0.409 -4.633 -1.326 1.00 2.39 H new ATOM 0 HB1 ALA A 25 -2.167 -6.019 -0.223 1.00 2.54 H new ATOM 0 HB2 ALA A 25 -1.484 -6.896 -1.613 1.00 2.54 H new ATOM 0 HB3 ALA A 25 -0.983 -7.321 0.041 1.00 2.54 H new ATOM 367 N ALA A 26 0.813 -5.714 1.519 1.00 2.51 N ATOM 368 CA ALA A 26 1.199 -5.215 2.871 1.00 2.72 C ATOM 369 C ALA A 26 2.194 -4.059 2.718 1.00 2.70 C ATOM 370 O ALA A 26 2.073 -3.041 3.367 1.00 2.90 O ATOM 371 CB ALA A 26 1.844 -6.409 3.586 1.00 2.71 C ATOM 0 H ALA A 26 1.057 -6.686 1.329 1.00 2.51 H new ATOM 0 HA ALA A 26 0.348 -4.838 3.438 1.00 2.72 H new ATOM 0 HB1 ALA A 26 2.152 -6.110 4.588 1.00 2.71 H new ATOM 0 HB2 ALA A 26 1.124 -7.224 3.655 1.00 2.71 H new ATOM 0 HB3 ALA A 26 2.716 -6.742 3.023 1.00 2.71 H new ATOM 377 N LEU A 27 3.154 -4.200 1.836 1.00 2.49 N ATOM 378 CA LEU A 27 4.134 -3.097 1.608 1.00 2.52 C ATOM 379 C LEU A 27 3.389 -1.870 1.065 1.00 2.55 C ATOM 380 O LEU A 27 3.565 -0.765 1.545 1.00 2.73 O ATOM 381 CB LEU A 27 5.121 -3.651 0.573 1.00 2.33 C ATOM 382 CG LEU A 27 5.987 -2.517 0.023 1.00 2.39 C ATOM 383 CD1 LEU A 27 7.450 -2.951 0.008 1.00 2.54 C ATOM 384 CD2 LEU A 27 5.548 -2.178 -1.404 1.00 2.30 C ATOM 0 H LEU A 27 3.300 -5.033 1.265 1.00 2.49 H new ATOM 0 HA LEU A 27 4.650 -2.786 2.516 1.00 2.52 H new ATOM 0 HB2 LEU A 27 5.752 -4.413 1.030 1.00 2.33 H new ATOM 0 HB3 LEU A 27 4.577 -4.133 -0.240 1.00 2.33 H new ATOM 0 HG LEU A 27 5.872 -1.639 0.658 1.00 2.39 H new ATOM 0 HD11 LEU A 27 8.066 -2.142 -0.384 1.00 2.54 H new ATOM 0 HD12 LEU A 27 7.769 -3.191 1.022 1.00 2.54 H new ATOM 0 HD13 LEU A 27 7.562 -3.831 -0.625 1.00 2.54 H new ATOM 0 HD21 LEU A 27 6.167 -1.370 -1.793 1.00 2.30 H new ATOM 0 HD22 LEU A 27 5.660 -3.058 -2.038 1.00 2.30 H new ATOM 0 HD23 LEU A 27 4.504 -1.865 -1.399 1.00 2.30 H new ATOM 396 N GLY A 28 2.535 -2.068 0.085 1.00 2.44 N ATOM 397 CA GLY A 28 1.751 -0.926 -0.473 1.00 2.53 C ATOM 398 C GLY A 28 0.918 -0.307 0.651 1.00 2.78 C ATOM 399 O GLY A 28 0.874 0.900 0.809 1.00 2.90 O ATOM 0 H GLY A 28 2.350 -2.972 -0.349 1.00 2.44 H new ATOM 0 HA2 GLY A 28 2.421 -0.181 -0.901 1.00 2.53 H new ATOM 0 HA3 GLY A 28 1.102 -1.271 -1.278 1.00 2.53 H new ATOM 403 N ALA A 29 0.280 -1.130 1.452 1.00 2.91 N ATOM 404 CA ALA A 29 -0.528 -0.595 2.588 1.00 3.21 C ATOM 405 C ALA A 29 0.393 0.103 3.587 1.00 3.32 C ATOM 406 O ALA A 29 0.082 1.158 4.098 1.00 3.52 O ATOM 407 CB ALA A 29 -1.199 -1.819 3.217 1.00 3.32 C ATOM 0 H ALA A 29 0.286 -2.146 1.366 1.00 2.91 H new ATOM 0 HA ALA A 29 -1.268 0.139 2.269 1.00 3.21 H new ATOM 0 HB1 ALA A 29 -1.812 -1.504 4.062 1.00 3.32 H new ATOM 0 HB2 ALA A 29 -1.828 -2.310 2.475 1.00 3.32 H new ATOM 0 HB3 ALA A 29 -0.435 -2.515 3.563 1.00 3.32 H new ATOM 413 N LEU A 30 1.532 -0.471 3.844 1.00 3.25 N ATOM 414 CA LEU A 30 2.502 0.164 4.784 1.00 3.42 C ATOM 415 C LEU A 30 2.921 1.530 4.226 1.00 3.40 C ATOM 416 O LEU A 30 2.982 2.511 4.940 1.00 3.60 O ATOM 417 CB LEU A 30 3.699 -0.793 4.829 1.00 3.35 C ATOM 418 CG LEU A 30 3.506 -1.806 5.960 1.00 3.52 C ATOM 419 CD1 LEU A 30 4.357 -3.047 5.683 1.00 3.44 C ATOM 420 CD2 LEU A 30 3.938 -1.175 7.286 1.00 3.83 C ATOM 0 H LEU A 30 1.837 -1.358 3.443 1.00 3.25 H new ATOM 0 HA LEU A 30 2.086 0.328 5.778 1.00 3.42 H new ATOM 0 HB2 LEU A 30 3.798 -1.312 3.876 1.00 3.35 H new ATOM 0 HB3 LEU A 30 4.620 -0.232 4.984 1.00 3.35 H new ATOM 0 HG LEU A 30 2.456 -2.092 6.018 1.00 3.52 H new ATOM 0 HD11 LEU A 30 4.220 -3.769 6.488 1.00 3.44 H new ATOM 0 HD12 LEU A 30 4.050 -3.495 4.738 1.00 3.44 H new ATOM 0 HD13 LEU A 30 5.408 -2.762 5.626 1.00 3.44 H new ATOM 0 HD21 LEU A 30 3.801 -1.895 8.093 1.00 3.83 H new ATOM 0 HD22 LEU A 30 4.988 -0.890 7.228 1.00 3.83 H new ATOM 0 HD23 LEU A 30 3.332 -0.290 7.482 1.00 3.83 H new ATOM 432 N ILE A 31 3.184 1.600 2.943 1.00 3.18 N ATOM 433 CA ILE A 31 3.578 2.906 2.322 1.00 3.17 C ATOM 434 C ILE A 31 2.381 3.866 2.347 1.00 3.25 C ATOM 435 O ILE A 31 2.492 5.003 2.777 1.00 3.42 O ATOM 436 CB ILE A 31 3.985 2.556 0.882 1.00 2.93 C ATOM 437 CG1 ILE A 31 5.376 1.917 0.894 1.00 2.95 C ATOM 438 CG2 ILE A 31 4.023 3.821 0.017 1.00 2.92 C ATOM 439 CD1 ILE A 31 5.601 1.160 -0.416 1.00 2.82 C ATOM 0 H ILE A 31 3.143 0.810 2.299 1.00 3.18 H new ATOM 0 HA ILE A 31 4.392 3.401 2.852 1.00 3.17 H new ATOM 0 HB ILE A 31 3.255 1.862 0.466 1.00 2.93 H new ATOM 0 HG12 ILE A 31 6.140 2.685 1.018 1.00 2.95 H new ATOM 0 HG13 ILE A 31 5.468 1.236 1.740 1.00 2.95 H new ATOM 0 HG21 ILE A 31 4.313 3.558 -1.000 1.00 2.92 H new ATOM 0 HG22 ILE A 31 3.036 4.283 0.005 1.00 2.92 H new ATOM 0 HG23 ILE A 31 4.747 4.523 0.430 1.00 2.92 H new ATOM 0 HD11 ILE A 31 6.591 0.705 -0.408 1.00 2.82 H new ATOM 0 HD12 ILE A 31 4.845 0.382 -0.521 1.00 2.82 H new ATOM 0 HD13 ILE A 31 5.527 1.853 -1.254 1.00 2.82 H new ATOM 451 N LEU A 32 1.237 3.407 1.905 1.00 3.20 N ATOM 452 CA LEU A 32 0.015 4.271 1.908 1.00 3.35 C ATOM 453 C LEU A 32 -0.346 4.683 3.344 1.00 3.65 C ATOM 454 O LEU A 32 -0.744 5.801 3.595 1.00 3.80 O ATOM 455 CB LEU A 32 -1.087 3.396 1.301 1.00 3.34 C ATOM 456 CG LEU A 32 -2.216 4.282 0.773 1.00 3.46 C ATOM 457 CD1 LEU A 32 -2.186 4.294 -0.754 1.00 3.51 C ATOM 458 CD2 LEU A 32 -3.558 3.724 1.247 1.00 3.73 C ATOM 0 H LEU A 32 1.096 2.465 1.540 1.00 3.20 H new ATOM 0 HA LEU A 32 0.159 5.194 1.346 1.00 3.35 H new ATOM 0 HB2 LEU A 32 -0.679 2.790 0.492 1.00 3.34 H new ATOM 0 HB3 LEU A 32 -1.473 2.707 2.052 1.00 3.34 H new ATOM 0 HG LEU A 32 -2.086 5.298 1.147 1.00 3.46 H new ATOM 0 HD11 LEU A 32 -2.991 4.926 -1.129 1.00 3.51 H new ATOM 0 HD12 LEU A 32 -1.228 4.686 -1.096 1.00 3.51 H new ATOM 0 HD13 LEU A 32 -2.317 3.279 -1.128 1.00 3.51 H new ATOM 0 HD21 LEU A 32 -4.366 4.353 0.873 1.00 3.73 H new ATOM 0 HD22 LEU A 32 -3.684 2.709 0.870 1.00 3.73 H new ATOM 0 HD23 LEU A 32 -3.583 3.712 2.337 1.00 3.73 H new ATOM 470 N GLY A 33 -0.205 3.784 4.286 1.00 3.78 N ATOM 471 CA GLY A 33 -0.532 4.107 5.710 1.00 4.11 C ATOM 472 C GLY A 33 0.564 4.989 6.319 1.00 4.21 C ATOM 473 O GLY A 33 0.278 5.931 7.033 1.00 4.46 O ATOM 0 H GLY A 33 0.125 2.832 4.128 1.00 3.78 H new ATOM 0 HA2 GLY A 33 -1.492 4.620 5.763 1.00 4.11 H new ATOM 0 HA3 GLY A 33 -0.630 3.187 6.286 1.00 4.11 H new ATOM 988 N GLN A 66 -8.894 19.815 13.100 1.00 2.80 N ATOM 989 CA GLN A 66 -9.684 20.700 12.192 1.00 3.01 C ATOM 990 C GLN A 66 -8.890 21.982 11.935 1.00 2.70 C ATOM 991 O GLN A 66 -8.715 22.396 10.810 1.00 2.58 O ATOM 992 CB GLN A 66 -10.992 21.002 12.932 1.00 3.50 C ATOM 993 CG GLN A 66 -11.891 21.885 12.056 1.00 3.81 C ATOM 994 CD GLN A 66 -12.431 21.077 10.872 1.00 4.04 C ATOM 995 OE1 GLN A 66 -12.023 21.274 9.742 1.00 3.85 O ATOM 996 NE2 GLN A 66 -13.333 20.164 11.078 1.00 4.58 N ATOM 0 HA GLN A 66 -9.888 20.237 11.227 1.00 3.01 H new ATOM 0 HB2 GLN A 66 -11.506 20.072 13.176 1.00 3.50 H new ATOM 0 HB3 GLN A 66 -10.779 21.506 13.875 1.00 3.50 H new ATOM 0 HG2 GLN A 66 -12.719 22.275 12.648 1.00 3.81 H new ATOM 0 HG3 GLN A 66 -11.327 22.744 11.693 1.00 3.81 H new ATOM 0 HE21 GLN A 66 -13.680 19.993 12.022 1.00 4.58 H new ATOM 0 HE22 GLN A 66 -13.694 19.618 10.296 1.00 4.58 H new ATOM 1005 N TYR A 67 -8.384 22.588 12.974 1.00 2.64 N ATOM 1006 CA TYR A 67 -7.565 23.827 12.806 1.00 2.45 C ATOM 1007 C TYR A 67 -6.275 23.473 12.073 1.00 1.94 C ATOM 1008 O TYR A 67 -5.889 24.119 11.113 1.00 1.80 O ATOM 1009 CB TYR A 67 -7.252 24.312 14.226 1.00 2.63 C ATOM 1010 CG TYR A 67 -7.799 25.698 14.428 1.00 3.02 C ATOM 1011 CD1 TYR A 67 -7.290 26.767 13.681 1.00 3.51 C ATOM 1012 CD2 TYR A 67 -8.804 25.914 15.372 1.00 3.50 C ATOM 1013 CE1 TYR A 67 -7.791 28.056 13.884 1.00 4.17 C ATOM 1014 CE2 TYR A 67 -9.306 27.202 15.572 1.00 4.21 C ATOM 1015 CZ TYR A 67 -8.796 28.271 14.827 1.00 4.44 C ATOM 1016 OH TYR A 67 -9.291 29.539 15.025 1.00 5.29 O ATOM 0 H TYR A 67 -8.502 22.278 13.939 1.00 2.64 H new ATOM 0 HA TYR A 67 -8.082 24.595 12.231 1.00 2.45 H new ATOM 0 HB2 TYR A 67 -7.688 23.630 14.956 1.00 2.63 H new ATOM 0 HB3 TYR A 67 -6.175 24.310 14.391 1.00 2.63 H new ATOM 0 HD1 TYR A 67 -6.513 26.596 12.951 1.00 3.51 H new ATOM 0 HD2 TYR A 67 -9.193 25.087 15.947 1.00 3.50 H new ATOM 0 HE1 TYR A 67 -7.400 28.884 13.311 1.00 4.17 H new ATOM 0 HE2 TYR A 67 -10.086 27.372 16.300 1.00 4.21 H new ATOM 0 HH TYR A 67 -9.986 29.515 15.715 1.00 5.29 H new ATOM 1026 N SER A 68 -5.616 22.437 12.526 1.00 1.73 N ATOM 1027 CA SER A 68 -4.337 21.993 11.880 1.00 1.30 C ATOM 1028 C SER A 68 -4.532 21.731 10.385 1.00 1.27 C ATOM 1029 O SER A 68 -3.626 21.917 9.603 1.00 1.08 O ATOM 1030 CB SER A 68 -3.949 20.699 12.592 1.00 1.27 C ATOM 1031 OG SER A 68 -2.569 20.751 12.911 1.00 1.04 O ATOM 0 H SER A 68 -5.910 21.873 13.323 1.00 1.73 H new ATOM 0 HA SER A 68 -3.567 22.760 11.965 1.00 1.30 H new ATOM 0 HB2 SER A 68 -4.542 20.574 13.498 1.00 1.27 H new ATOM 0 HB3 SER A 68 -4.157 19.840 11.954 1.00 1.27 H new ATOM 0 HG SER A 68 -2.308 19.926 13.370 1.00 1.04 H new ATOM 1037 N ALA A 69 -5.702 21.313 9.977 1.00 1.64 N ATOM 1038 CA ALA A 69 -5.936 21.061 8.524 1.00 1.76 C ATOM 1039 C ALA A 69 -6.514 22.317 7.865 1.00 1.76 C ATOM 1040 O ALA A 69 -6.055 22.753 6.830 1.00 1.64 O ATOM 1041 CB ALA A 69 -6.938 19.904 8.470 1.00 2.26 C ATOM 0 H ALA A 69 -6.502 21.136 10.584 1.00 1.64 H new ATOM 0 HA ALA A 69 -5.017 20.816 7.991 1.00 1.76 H new ATOM 0 HB1 ALA A 69 -7.159 19.662 7.430 1.00 2.26 H new ATOM 0 HB2 ALA A 69 -6.512 19.030 8.963 1.00 2.26 H new ATOM 0 HB3 ALA A 69 -7.857 20.195 8.978 1.00 2.26 H new ATOM 1047 N LYS A 70 -7.516 22.896 8.468 1.00 1.98 N ATOM 1048 CA LYS A 70 -8.157 24.128 7.898 1.00 2.11 C ATOM 1049 C LYS A 70 -7.153 25.270 7.763 1.00 1.85 C ATOM 1050 O LYS A 70 -7.033 25.869 6.716 1.00 1.81 O ATOM 1051 CB LYS A 70 -9.256 24.520 8.888 1.00 2.50 C ATOM 1052 CG LYS A 70 -10.389 23.496 8.842 1.00 2.83 C ATOM 1053 CD LYS A 70 -11.065 23.512 7.463 1.00 3.00 C ATOM 1054 CE LYS A 70 -10.873 22.154 6.778 1.00 3.19 C ATOM 1055 NZ LYS A 70 -11.962 21.288 7.322 1.00 3.75 N ATOM 0 H LYS A 70 -7.927 22.568 9.342 1.00 1.98 H new ATOM 0 HA LYS A 70 -8.547 23.933 6.899 1.00 2.11 H new ATOM 0 HB2 LYS A 70 -8.846 24.576 9.896 1.00 2.50 H new ATOM 0 HB3 LYS A 70 -9.640 25.511 8.645 1.00 2.50 H new ATOM 0 HG2 LYS A 70 -9.998 22.500 9.051 1.00 2.83 H new ATOM 0 HG3 LYS A 70 -11.122 23.720 9.617 1.00 2.83 H new ATOM 0 HD2 LYS A 70 -12.128 23.729 7.571 1.00 3.00 H new ATOM 0 HD3 LYS A 70 -10.639 24.304 6.847 1.00 3.00 H new ATOM 0 HE2 LYS A 70 -10.946 22.245 5.694 1.00 3.19 H new ATOM 0 HE3 LYS A 70 -9.890 21.737 6.998 1.00 3.19 H new ATOM 0 HZ1 LYS A 70 -11.886 20.335 6.912 1.00 3.75 H new ATOM 0 HZ2 LYS A 70 -11.873 21.228 8.356 1.00 3.75 H new ATOM 0 HZ3 LYS A 70 -12.886 21.697 7.077 1.00 3.75 H new ATOM 1069 N GLY A 71 -6.446 25.573 8.817 1.00 1.75 N ATOM 1070 CA GLY A 71 -5.439 26.690 8.776 1.00 1.69 C ATOM 1071 C GLY A 71 -4.639 26.630 7.470 1.00 1.44 C ATOM 1072 O GLY A 71 -4.717 27.536 6.658 1.00 1.56 O ATOM 0 H GLY A 71 -6.518 25.095 9.715 1.00 1.75 H new ATOM 0 HA2 GLY A 71 -5.947 27.651 8.857 1.00 1.69 H new ATOM 0 HA3 GLY A 71 -4.764 26.613 9.629 1.00 1.69 H new ATOM 1076 N PRO A 72 -3.908 25.553 7.293 1.00 1.19 N ATOM 1077 CA PRO A 72 -3.110 25.376 6.054 1.00 1.13 C ATOM 1078 C PRO A 72 -4.035 25.225 4.837 1.00 1.18 C ATOM 1079 O PRO A 72 -3.765 25.780 3.794 1.00 1.24 O ATOM 1080 CB PRO A 72 -2.304 24.106 6.318 1.00 1.14 C ATOM 1081 CG PRO A 72 -3.097 23.367 7.340 1.00 1.10 C ATOM 1082 CD PRO A 72 -3.753 24.411 8.204 1.00 1.12 C ATOM 0 HA PRO A 72 -2.468 26.227 5.828 1.00 1.13 H new ATOM 0 HB2 PRO A 72 -2.182 23.517 5.409 1.00 1.14 H new ATOM 0 HB3 PRO A 72 -1.304 24.339 6.684 1.00 1.14 H new ATOM 0 HG2 PRO A 72 -3.844 22.730 6.866 1.00 1.10 H new ATOM 0 HG3 PRO A 72 -2.455 22.718 7.935 1.00 1.10 H new ATOM 0 HD2 PRO A 72 -4.714 24.069 8.588 1.00 1.12 H new ATOM 0 HD3 PRO A 72 -3.137 24.665 9.066 1.00 1.12 H new ATOM 1090 N CYS A 73 -5.131 24.506 4.952 1.00 1.31 N ATOM 1091 CA CYS A 73 -6.048 24.372 3.771 1.00 1.51 C ATOM 1092 C CYS A 73 -6.594 25.748 3.380 1.00 1.54 C ATOM 1093 O CYS A 73 -6.587 26.127 2.220 1.00 1.54 O ATOM 1094 CB CYS A 73 -7.188 23.447 4.207 1.00 1.85 C ATOM 1095 SG CYS A 73 -7.703 22.432 2.802 1.00 2.31 S ATOM 0 H CYS A 73 -5.426 24.015 5.796 1.00 1.31 H new ATOM 0 HA CYS A 73 -5.527 23.964 2.904 1.00 1.51 H new ATOM 0 HB2 CYS A 73 -6.861 22.811 5.030 1.00 1.85 H new ATOM 0 HB3 CYS A 73 -8.029 24.035 4.573 1.00 1.85 H new ATOM 0 HG CYS A 73 -8.669 21.643 3.168 1.00 2.31 H new ATOM 1101 N VAL A 74 -7.039 26.505 4.346 1.00 1.68 N ATOM 1102 CA VAL A 74 -7.564 27.872 4.053 1.00 1.92 C ATOM 1103 C VAL A 74 -6.423 28.730 3.525 1.00 1.81 C ATOM 1104 O VAL A 74 -6.536 29.363 2.496 1.00 1.91 O ATOM 1105 CB VAL A 74 -8.089 28.409 5.395 1.00 2.23 C ATOM 1106 CG1 VAL A 74 -8.336 29.919 5.303 1.00 2.57 C ATOM 1107 CG2 VAL A 74 -9.406 27.710 5.748 1.00 2.51 C ATOM 0 H VAL A 74 -7.062 26.236 5.330 1.00 1.68 H new ATOM 0 HA VAL A 74 -8.354 27.875 3.302 1.00 1.92 H new ATOM 0 HB VAL A 74 -7.344 28.212 6.166 1.00 2.23 H new ATOM 0 HG11 VAL A 74 -8.707 30.286 6.260 1.00 2.57 H new ATOM 0 HG12 VAL A 74 -7.403 30.426 5.057 1.00 2.57 H new ATOM 0 HG13 VAL A 74 -9.074 30.120 4.526 1.00 2.57 H new ATOM 0 HG21 VAL A 74 -9.777 28.092 6.699 1.00 2.51 H new ATOM 0 HG22 VAL A 74 -10.142 27.904 4.968 1.00 2.51 H new ATOM 0 HG23 VAL A 74 -9.238 26.636 5.829 1.00 2.51 H new ATOM 1117 N GLU A 75 -5.322 28.729 4.219 1.00 1.71 N ATOM 1118 CA GLU A 75 -4.138 29.521 3.773 1.00 1.85 C ATOM 1119 C GLU A 75 -3.732 29.107 2.356 1.00 1.73 C ATOM 1120 O GLU A 75 -3.397 29.934 1.529 1.00 1.96 O ATOM 1121 CB GLU A 75 -3.040 29.173 4.781 1.00 1.87 C ATOM 1122 CG GLU A 75 -1.740 29.899 4.411 1.00 2.35 C ATOM 1123 CD GLU A 75 -1.911 31.405 4.605 1.00 2.82 C ATOM 1124 OE1 GLU A 75 -2.420 32.050 3.698 1.00 2.68 O ATOM 1125 OE2 GLU A 75 -1.511 31.898 5.639 1.00 3.53 O ATOM 0 H GLU A 75 -5.188 28.209 5.086 1.00 1.71 H new ATOM 0 HA GLU A 75 -4.335 30.592 3.740 1.00 1.85 H new ATOM 0 HB2 GLU A 75 -3.353 29.459 5.785 1.00 1.87 H new ATOM 0 HB3 GLU A 75 -2.874 28.096 4.793 1.00 1.87 H new ATOM 0 HG2 GLU A 75 -0.921 29.535 5.031 1.00 2.35 H new ATOM 0 HG3 GLU A 75 -1.476 29.685 3.375 1.00 2.35 H new ATOM 1132 N ARG A 76 -3.771 27.835 2.071 1.00 1.50 N ATOM 1133 CA ARG A 76 -3.391 27.355 0.709 1.00 1.58 C ATOM 1134 C ARG A 76 -4.362 27.908 -0.337 1.00 1.58 C ATOM 1135 O ARG A 76 -3.947 28.508 -1.308 1.00 1.73 O ATOM 1136 CB ARG A 76 -3.469 25.825 0.760 1.00 1.59 C ATOM 1137 CG ARG A 76 -2.281 25.224 -0.003 1.00 1.95 C ATOM 1138 CD ARG A 76 -2.516 25.345 -1.514 1.00 1.93 C ATOM 1139 NE ARG A 76 -1.766 26.573 -1.919 1.00 2.24 N ATOM 1140 CZ ARG A 76 -0.997 26.565 -2.965 1.00 2.13 C ATOM 1141 NH1 ARG A 76 0.250 26.238 -2.849 1.00 2.57 N ATOM 1142 NH2 ARG A 76 -1.473 26.895 -4.120 1.00 1.99 N ATOM 0 H ARG A 76 -4.051 27.103 2.724 1.00 1.50 H new ATOM 0 HA ARG A 76 -2.392 27.690 0.430 1.00 1.58 H new ATOM 0 HB2 ARG A 76 -3.459 25.484 1.795 1.00 1.59 H new ATOM 0 HB3 ARG A 76 -4.407 25.484 0.321 1.00 1.59 H new ATOM 0 HG2 ARG A 76 -1.362 25.740 0.273 1.00 1.95 H new ATOM 0 HG3 ARG A 76 -2.154 24.177 0.271 1.00 1.95 H new ATOM 0 HD2 ARG A 76 -2.150 24.465 -2.043 1.00 1.93 H new ATOM 0 HD3 ARG A 76 -3.578 25.436 -1.743 1.00 1.93 H new ATOM 0 HE ARG A 76 -1.859 27.426 -1.368 1.00 2.24 H new ATOM 0 HH11 ARG A 76 0.628 25.987 -1.936 1.00 2.57 H new ATOM 0 HH12 ARG A 76 0.854 26.232 -3.671 1.00 2.57 H new ATOM 0 HH21 ARG A 76 -2.453 27.162 -4.210 1.00 1.99 H new ATOM 0 HH22 ARG A 76 -0.868 26.889 -4.942 1.00 1.99 H new ATOM 1156 N LYS A 77 -5.650 27.722 -0.148 1.00 1.53 N ATOM 1157 CA LYS A 77 -6.624 28.261 -1.150 1.00 1.67 C ATOM 1158 C LYS A 77 -6.594 29.797 -1.130 1.00 1.84 C ATOM 1159 O LYS A 77 -6.760 30.439 -2.151 1.00 1.96 O ATOM 1160 CB LYS A 77 -8.002 27.693 -0.766 1.00 1.83 C ATOM 1161 CG LYS A 77 -8.533 28.346 0.512 1.00 2.10 C ATOM 1162 CD LYS A 77 -9.889 28.993 0.223 1.00 2.51 C ATOM 1163 CE LYS A 77 -10.101 30.161 1.191 1.00 2.78 C ATOM 1164 NZ LYS A 77 -10.593 31.299 0.354 1.00 3.21 N ATOM 0 H LYS A 77 -6.062 27.228 0.644 1.00 1.53 H new ATOM 0 HA LYS A 77 -6.377 27.965 -2.169 1.00 1.67 H new ATOM 0 HB2 LYS A 77 -8.706 27.858 -1.581 1.00 1.83 H new ATOM 0 HB3 LYS A 77 -7.927 26.615 -0.623 1.00 1.83 H new ATOM 0 HG2 LYS A 77 -8.634 27.600 1.300 1.00 2.10 H new ATOM 0 HG3 LYS A 77 -7.828 29.096 0.871 1.00 2.10 H new ATOM 0 HD2 LYS A 77 -9.925 29.347 -0.807 1.00 2.51 H new ATOM 0 HD3 LYS A 77 -10.688 28.260 0.337 1.00 2.51 H new ATOM 0 HE2 LYS A 77 -10.825 29.902 1.964 1.00 2.78 H new ATOM 0 HE3 LYS A 77 -9.172 30.422 1.699 1.00 2.78 H new ATOM 0 HZ1 LYS A 77 -10.757 32.129 0.959 1.00 3.21 H new ATOM 0 HZ2 LYS A 77 -9.882 31.532 -0.368 1.00 3.21 H new ATOM 0 HZ3 LYS A 77 -11.483 31.028 -0.111 1.00 3.21 H new ATOM 1178 N ALA A 78 -6.332 30.386 0.014 1.00 1.93 N ATOM 1179 CA ALA A 78 -6.238 31.877 0.084 1.00 2.25 C ATOM 1180 C ALA A 78 -5.021 32.315 -0.719 1.00 2.32 C ATOM 1181 O ALA A 78 -5.089 33.205 -1.537 1.00 2.56 O ATOM 1182 CB ALA A 78 -6.072 32.227 1.569 1.00 2.43 C ATOM 0 H ALA A 78 -6.180 29.900 0.898 1.00 1.93 H new ATOM 0 HA ALA A 78 -7.116 32.377 -0.325 1.00 2.25 H new ATOM 0 HB1 ALA A 78 -5.998 33.309 1.682 1.00 2.43 H new ATOM 0 HB2 ALA A 78 -6.934 31.862 2.127 1.00 2.43 H new ATOM 0 HB3 ALA A 78 -5.166 31.759 1.954 1.00 2.43 H new ATOM 1188 N LYS A 79 -3.915 31.659 -0.512 1.00 2.20 N ATOM 1189 CA LYS A 79 -2.685 31.993 -1.285 1.00 2.42 C ATOM 1190 C LYS A 79 -2.910 31.639 -2.763 1.00 2.37 C ATOM 1191 O LYS A 79 -2.531 32.376 -3.648 1.00 2.64 O ATOM 1192 CB LYS A 79 -1.577 31.129 -0.671 1.00 2.40 C ATOM 1193 CG LYS A 79 -1.250 31.636 0.738 1.00 2.55 C ATOM 1194 CD LYS A 79 -0.346 32.867 0.641 1.00 2.99 C ATOM 1195 CE LYS A 79 -0.978 34.033 1.402 1.00 3.21 C ATOM 1196 NZ LYS A 79 -0.774 33.717 2.847 1.00 3.45 N ATOM 0 H LYS A 79 -3.808 30.902 0.163 1.00 2.20 H new ATOM 0 HA LYS A 79 -2.426 33.051 -1.240 1.00 2.42 H new ATOM 0 HB2 LYS A 79 -1.896 30.087 -0.629 1.00 2.40 H new ATOM 0 HB3 LYS A 79 -0.685 31.164 -1.297 1.00 2.40 H new ATOM 0 HG2 LYS A 79 -2.169 31.887 1.268 1.00 2.55 H new ATOM 0 HG3 LYS A 79 -0.755 30.853 1.312 1.00 2.55 H new ATOM 0 HD2 LYS A 79 0.637 32.641 1.054 1.00 2.99 H new ATOM 0 HD3 LYS A 79 -0.198 33.140 -0.404 1.00 2.99 H new ATOM 0 HE2 LYS A 79 -0.506 34.979 1.136 1.00 3.21 H new ATOM 0 HE3 LYS A 79 -2.038 34.128 1.166 1.00 3.21 H new ATOM 0 HZ1 LYS A 79 -0.509 34.583 3.358 1.00 3.45 H new ATOM 0 HZ2 LYS A 79 -1.655 33.335 3.247 1.00 3.45 H new ATOM 0 HZ3 LYS A 79 -0.016 33.012 2.944 1.00 3.45 H new ATOM 1210 N LEU A 80 -3.543 30.521 -3.031 1.00 2.09 N ATOM 1211 CA LEU A 80 -3.813 30.119 -4.448 1.00 2.12 C ATOM 1212 C LEU A 80 -4.659 31.183 -5.156 1.00 2.21 C ATOM 1213 O LEU A 80 -4.348 31.618 -6.248 1.00 2.38 O ATOM 1214 CB LEU A 80 -4.599 28.806 -4.350 1.00 1.93 C ATOM 1215 CG LEU A 80 -4.948 28.319 -5.761 1.00 2.16 C ATOM 1216 CD1 LEU A 80 -4.107 27.092 -6.103 1.00 2.48 C ATOM 1217 CD2 LEU A 80 -6.431 27.948 -5.828 1.00 2.38 C ATOM 0 H LEU A 80 -3.885 29.868 -2.326 1.00 2.09 H new ATOM 0 HA LEU A 80 -2.891 30.008 -5.019 1.00 2.12 H new ATOM 0 HB2 LEU A 80 -4.008 28.053 -3.829 1.00 1.93 H new ATOM 0 HB3 LEU A 80 -5.509 28.956 -3.769 1.00 1.93 H new ATOM 0 HG LEU A 80 -4.740 29.116 -6.475 1.00 2.16 H new ATOM 0 HD11 LEU A 80 -4.357 26.748 -7.107 1.00 2.48 H new ATOM 0 HD12 LEU A 80 -3.049 27.353 -6.062 1.00 2.48 H new ATOM 0 HD13 LEU A 80 -4.313 26.298 -5.385 1.00 2.48 H new ATOM 0 HD21 LEU A 80 -6.675 27.602 -6.833 1.00 2.38 H new ATOM 0 HD22 LEU A 80 -6.640 27.154 -5.111 1.00 2.38 H new ATOM 0 HD23 LEU A 80 -7.036 28.822 -5.588 1.00 2.38 H new