USER MOD reduce.3.24.130724 H: found=0, std=0, add=291, rem=0, adj=7 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= 0.393 K(o=0.95,f=-18!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ 173:sc= 0.562! (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=-0.00202 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -151:sc= 0.866 (180deg=0.395) USER MOD Single : A 79 LYS NZ :NH3+ -157:sc= 0.828 (180deg=0.625) USER MOD ----------------------------------------------------------------- ATOM 174 N VAL A 14 0.818 -21.501 -5.963 1.00 1.51 N ATOM 175 CA VAL A 14 -0.239 -20.525 -5.560 1.00 1.60 C ATOM 176 C VAL A 14 0.087 -19.930 -4.179 1.00 1.69 C ATOM 177 O VAL A 14 -0.192 -18.777 -3.917 1.00 1.69 O ATOM 178 CB VAL A 14 -1.562 -21.311 -5.546 1.00 1.82 C ATOM 179 CG1 VAL A 14 -1.851 -21.862 -6.945 1.00 1.81 C ATOM 180 CG2 VAL A 14 -1.497 -22.479 -4.556 1.00 1.98 C ATOM 0 HA VAL A 14 -0.304 -19.683 -6.250 1.00 1.60 H new ATOM 0 HB VAL A 14 -2.356 -20.631 -5.238 1.00 1.82 H new ATOM 0 HG11 VAL A 14 -2.789 -22.418 -6.931 1.00 1.81 H new ATOM 0 HG12 VAL A 14 -1.929 -21.036 -7.652 1.00 1.81 H new ATOM 0 HG13 VAL A 14 -1.041 -22.525 -7.250 1.00 1.81 H new ATOM 0 HG21 VAL A 14 -2.445 -23.018 -4.566 1.00 1.98 H new ATOM 0 HG22 VAL A 14 -0.692 -23.155 -4.844 1.00 1.98 H new ATOM 0 HG23 VAL A 14 -1.308 -22.096 -3.553 1.00 1.98 H new ATOM 190 N VAL A 15 0.709 -20.690 -3.307 1.00 1.80 N ATOM 191 CA VAL A 15 1.075 -20.136 -1.966 1.00 1.96 C ATOM 192 C VAL A 15 2.200 -19.110 -2.133 1.00 1.82 C ATOM 193 O VAL A 15 2.176 -18.042 -1.548 1.00 1.84 O ATOM 194 CB VAL A 15 1.542 -21.344 -1.139 1.00 2.18 C ATOM 195 CG1 VAL A 15 2.331 -20.866 0.084 1.00 2.37 C ATOM 196 CG2 VAL A 15 0.325 -22.144 -0.667 1.00 2.38 C ATOM 0 H VAL A 15 0.976 -21.662 -3.465 1.00 1.80 H new ATOM 0 HA VAL A 15 0.244 -19.627 -1.477 1.00 1.96 H new ATOM 0 HB VAL A 15 2.180 -21.973 -1.760 1.00 2.18 H new ATOM 0 HG11 VAL A 15 2.659 -21.728 0.665 1.00 2.37 H new ATOM 0 HG12 VAL A 15 3.201 -20.297 -0.244 1.00 2.37 H new ATOM 0 HG13 VAL A 15 1.695 -20.232 0.702 1.00 2.37 H new ATOM 0 HG21 VAL A 15 0.658 -23.000 -0.081 1.00 2.38 H new ATOM 0 HG22 VAL A 15 -0.312 -21.508 -0.052 1.00 2.38 H new ATOM 0 HG23 VAL A 15 -0.238 -22.493 -1.532 1.00 2.38 H new ATOM 206 N THR A 16 3.170 -19.428 -2.947 1.00 1.71 N ATOM 207 CA THR A 16 4.302 -18.480 -3.188 1.00 1.65 C ATOM 208 C THR A 16 3.766 -17.161 -3.742 1.00 1.47 C ATOM 209 O THR A 16 4.055 -16.097 -3.227 1.00 1.49 O ATOM 210 CB THR A 16 5.213 -19.170 -4.212 1.00 1.64 C ATOM 211 OG1 THR A 16 5.773 -20.338 -3.631 1.00 1.85 O ATOM 212 CG2 THR A 16 6.344 -18.227 -4.622 1.00 1.69 C ATOM 0 H THR A 16 3.230 -20.308 -3.459 1.00 1.71 H new ATOM 0 HA THR A 16 4.844 -18.248 -2.271 1.00 1.65 H new ATOM 0 HB THR A 16 4.625 -19.435 -5.091 1.00 1.64 H new ATOM 0 HG1 THR A 16 6.354 -20.782 -4.284 1.00 1.85 H new ATOM 0 HG21 THR A 16 6.986 -18.724 -5.349 1.00 1.69 H new ATOM 0 HG22 THR A 16 5.923 -17.325 -5.066 1.00 1.69 H new ATOM 0 HG23 THR A 16 6.930 -17.959 -3.743 1.00 1.69 H new ATOM 220 N VAL A 17 2.973 -17.224 -4.779 1.00 1.35 N ATOM 221 CA VAL A 17 2.406 -15.970 -5.358 1.00 1.27 C ATOM 222 C VAL A 17 1.472 -15.293 -4.341 1.00 1.36 C ATOM 223 O VAL A 17 1.437 -14.084 -4.247 1.00 1.34 O ATOM 224 CB VAL A 17 1.655 -16.385 -6.633 1.00 1.27 C ATOM 225 CG1 VAL A 17 2.616 -17.087 -7.596 1.00 1.28 C ATOM 226 CG2 VAL A 17 0.500 -17.332 -6.296 1.00 1.37 C ATOM 0 H VAL A 17 2.694 -18.085 -5.249 1.00 1.35 H new ATOM 0 HA VAL A 17 3.183 -15.244 -5.596 1.00 1.27 H new ATOM 0 HB VAL A 17 1.252 -15.487 -7.101 1.00 1.27 H new ATOM 0 HG11 VAL A 17 2.078 -17.379 -8.498 1.00 1.28 H new ATOM 0 HG12 VAL A 17 3.427 -16.408 -7.860 1.00 1.28 H new ATOM 0 HG13 VAL A 17 3.028 -17.975 -7.116 1.00 1.28 H new ATOM 0 HG21 VAL A 17 -0.019 -17.614 -7.212 1.00 1.37 H new ATOM 0 HG22 VAL A 17 0.892 -18.226 -5.811 1.00 1.37 H new ATOM 0 HG23 VAL A 17 -0.197 -16.831 -5.624 1.00 1.37 H new ATOM 236 N ILE A 18 0.739 -16.056 -3.557 1.00 1.52 N ATOM 237 CA ILE A 18 -0.158 -15.427 -2.533 1.00 1.69 C ATOM 238 C ILE A 18 0.691 -14.738 -1.473 1.00 1.72 C ATOM 239 O ILE A 18 0.417 -13.623 -1.090 1.00 1.75 O ATOM 240 CB ILE A 18 -0.980 -16.581 -1.937 1.00 1.90 C ATOM 241 CG1 ILE A 18 -2.134 -16.938 -2.885 1.00 1.96 C ATOM 242 CG2 ILE A 18 -1.548 -16.173 -0.573 1.00 2.15 C ATOM 243 CD1 ILE A 18 -3.198 -15.834 -2.867 1.00 2.14 C ATOM 0 H ILE A 18 0.724 -17.076 -3.582 1.00 1.52 H new ATOM 0 HA ILE A 18 -0.815 -14.668 -2.957 1.00 1.69 H new ATOM 0 HB ILE A 18 -0.331 -17.448 -1.810 1.00 1.90 H new ATOM 0 HG12 ILE A 18 -1.754 -17.070 -3.898 1.00 1.96 H new ATOM 0 HG13 ILE A 18 -2.579 -17.887 -2.586 1.00 1.96 H new ATOM 0 HG21 ILE A 18 -2.129 -16.997 -0.159 1.00 2.15 H new ATOM 0 HG22 ILE A 18 -0.729 -15.930 0.104 1.00 2.15 H new ATOM 0 HG23 ILE A 18 -2.191 -15.301 -0.693 1.00 2.15 H new ATOM 0 HD11 ILE A 18 -4.010 -16.100 -3.544 1.00 2.14 H new ATOM 0 HD12 ILE A 18 -3.590 -15.723 -1.856 1.00 2.14 H new ATOM 0 HD13 ILE A 18 -2.752 -14.893 -3.189 1.00 2.14 H new ATOM 255 N VAL A 19 1.730 -15.372 -1.022 1.00 1.75 N ATOM 256 CA VAL A 19 2.612 -14.717 -0.009 1.00 1.84 C ATOM 257 C VAL A 19 3.241 -13.469 -0.638 1.00 1.67 C ATOM 258 O VAL A 19 3.307 -12.419 -0.025 1.00 1.71 O ATOM 259 CB VAL A 19 3.680 -15.761 0.345 1.00 1.97 C ATOM 260 CG1 VAL A 19 4.837 -15.090 1.088 1.00 2.16 C ATOM 261 CG2 VAL A 19 3.064 -16.836 1.244 1.00 2.28 C ATOM 0 H VAL A 19 2.011 -16.311 -1.305 1.00 1.75 H new ATOM 0 HA VAL A 19 2.074 -14.400 0.885 1.00 1.84 H new ATOM 0 HB VAL A 19 4.053 -16.215 -0.573 1.00 1.97 H new ATOM 0 HG11 VAL A 19 5.592 -15.836 1.336 1.00 2.16 H new ATOM 0 HG12 VAL A 19 5.281 -14.323 0.453 1.00 2.16 H new ATOM 0 HG13 VAL A 19 4.464 -14.632 2.004 1.00 2.16 H new ATOM 0 HG21 VAL A 19 3.822 -17.578 1.496 1.00 2.28 H new ATOM 0 HG22 VAL A 19 2.690 -16.375 2.158 1.00 2.28 H new ATOM 0 HG23 VAL A 19 2.241 -17.322 0.719 1.00 2.28 H new ATOM 271 N ILE A 20 3.675 -13.571 -1.871 1.00 1.50 N ATOM 272 CA ILE A 20 4.274 -12.385 -2.557 1.00 1.39 C ATOM 273 C ILE A 20 3.210 -11.302 -2.723 1.00 1.33 C ATOM 274 O ILE A 20 3.423 -10.153 -2.386 1.00 1.33 O ATOM 275 CB ILE A 20 4.756 -12.902 -3.920 1.00 1.34 C ATOM 276 CG1 ILE A 20 5.969 -13.812 -3.717 1.00 1.49 C ATOM 277 CG2 ILE A 20 5.153 -11.725 -4.813 1.00 1.35 C ATOM 278 CD1 ILE A 20 6.288 -14.545 -5.023 1.00 1.54 C ATOM 0 H ILE A 20 3.640 -14.423 -2.431 1.00 1.50 H new ATOM 0 HA ILE A 20 5.096 -11.944 -1.993 1.00 1.39 H new ATOM 0 HB ILE A 20 3.950 -13.460 -4.397 1.00 1.34 H new ATOM 0 HG12 ILE A 20 6.829 -13.222 -3.400 1.00 1.49 H new ATOM 0 HG13 ILE A 20 5.767 -14.532 -2.924 1.00 1.49 H new ATOM 0 HG21 ILE A 20 5.494 -12.099 -5.778 1.00 1.35 H new ATOM 0 HG22 ILE A 20 4.292 -11.073 -4.960 1.00 1.35 H new ATOM 0 HG23 ILE A 20 5.957 -11.163 -4.338 1.00 1.35 H new ATOM 0 HD11 ILE A 20 7.152 -15.192 -4.875 1.00 1.54 H new ATOM 0 HD12 ILE A 20 5.430 -15.148 -5.321 1.00 1.54 H new ATOM 0 HD13 ILE A 20 6.509 -13.817 -5.804 1.00 1.54 H new ATOM 290 N LEU A 21 2.058 -11.669 -3.216 1.00 1.34 N ATOM 291 CA LEU A 21 0.965 -10.662 -3.379 1.00 1.40 C ATOM 292 C LEU A 21 0.585 -10.115 -1.993 1.00 1.52 C ATOM 293 O LEU A 21 0.428 -8.920 -1.815 1.00 1.55 O ATOM 294 CB LEU A 21 -0.189 -11.416 -4.080 1.00 1.51 C ATOM 295 CG LEU A 21 -1.419 -11.552 -3.173 1.00 1.71 C ATOM 296 CD1 LEU A 21 -2.138 -10.207 -3.064 1.00 1.86 C ATOM 297 CD2 LEU A 21 -2.372 -12.578 -3.783 1.00 1.84 C ATOM 0 H LEU A 21 1.825 -12.617 -3.512 1.00 1.34 H new ATOM 0 HA LEU A 21 1.247 -9.796 -3.978 1.00 1.40 H new ATOM 0 HB2 LEU A 21 -0.467 -10.887 -4.992 1.00 1.51 H new ATOM 0 HB3 LEU A 21 0.153 -12.407 -4.378 1.00 1.51 H new ATOM 0 HG LEU A 21 -1.103 -11.872 -2.180 1.00 1.71 H new ATOM 0 HD11 LEU A 21 -3.010 -10.312 -2.419 1.00 1.86 H new ATOM 0 HD12 LEU A 21 -1.460 -9.465 -2.641 1.00 1.86 H new ATOM 0 HD13 LEU A 21 -2.457 -9.884 -4.055 1.00 1.86 H new ATOM 0 HD21 LEU A 21 -3.250 -12.683 -3.146 1.00 1.84 H new ATOM 0 HD22 LEU A 21 -2.680 -12.244 -4.774 1.00 1.84 H new ATOM 0 HD23 LEU A 21 -1.867 -13.540 -3.865 1.00 1.84 H new ATOM 309 N ILE A 22 0.475 -10.976 -1.002 1.00 1.64 N ATOM 310 CA ILE A 22 0.148 -10.487 0.376 1.00 1.82 C ATOM 311 C ILE A 22 1.234 -9.507 0.831 1.00 1.75 C ATOM 312 O ILE A 22 0.948 -8.442 1.351 1.00 1.81 O ATOM 313 CB ILE A 22 0.122 -11.743 1.267 1.00 2.01 C ATOM 314 CG1 ILE A 22 -1.203 -12.484 1.062 1.00 2.16 C ATOM 315 CG2 ILE A 22 0.248 -11.350 2.745 1.00 2.22 C ATOM 316 CD1 ILE A 22 -1.139 -13.848 1.753 1.00 2.34 C ATOM 0 H ILE A 22 0.597 -11.985 -1.089 1.00 1.64 H new ATOM 0 HA ILE A 22 -0.806 -9.961 0.422 1.00 1.82 H new ATOM 0 HB ILE A 22 0.959 -12.385 0.993 1.00 2.01 H new ATOM 0 HG12 ILE A 22 -2.027 -11.897 1.469 1.00 2.16 H new ATOM 0 HG13 ILE A 22 -1.399 -12.613 -0.003 1.00 2.16 H new ATOM 0 HG21 ILE A 22 0.228 -12.248 3.363 1.00 2.22 H new ATOM 0 HG22 ILE A 22 1.188 -10.822 2.902 1.00 2.22 H new ATOM 0 HG23 ILE A 22 -0.583 -10.701 3.021 1.00 2.22 H new ATOM 0 HD11 ILE A 22 -2.082 -14.375 1.607 1.00 2.34 H new ATOM 0 HD12 ILE A 22 -0.326 -14.435 1.326 1.00 2.34 H new ATOM 0 HD13 ILE A 22 -0.963 -13.708 2.820 1.00 2.34 H new ATOM 328 N ALA A 23 2.478 -9.853 0.619 1.00 1.67 N ATOM 329 CA ALA A 23 3.591 -8.938 1.019 1.00 1.66 C ATOM 330 C ALA A 23 3.512 -7.638 0.210 1.00 1.51 C ATOM 331 O ALA A 23 3.598 -6.556 0.758 1.00 1.52 O ATOM 332 CB ALA A 23 4.877 -9.705 0.702 1.00 1.68 C ATOM 0 H ALA A 23 2.772 -10.729 0.187 1.00 1.67 H new ATOM 0 HA ALA A 23 3.544 -8.659 2.072 1.00 1.66 H new ATOM 0 HB1 ALA A 23 5.740 -9.095 0.970 1.00 1.68 H new ATOM 0 HB2 ALA A 23 4.897 -10.633 1.273 1.00 1.68 H new ATOM 0 HB3 ALA A 23 4.911 -9.934 -0.363 1.00 1.68 H new ATOM 338 N ILE A 24 3.326 -7.738 -1.085 1.00 1.40 N ATOM 339 CA ILE A 24 3.214 -6.504 -1.926 1.00 1.32 C ATOM 340 C ILE A 24 2.058 -5.639 -1.404 1.00 1.40 C ATOM 341 O ILE A 24 2.199 -4.444 -1.215 1.00 1.41 O ATOM 342 CB ILE A 24 2.925 -7.006 -3.349 1.00 1.30 C ATOM 343 CG1 ILE A 24 4.202 -7.600 -3.952 1.00 1.29 C ATOM 344 CG2 ILE A 24 2.450 -5.844 -4.228 1.00 1.39 C ATOM 345 CD1 ILE A 24 3.845 -8.415 -5.197 1.00 1.35 C ATOM 0 H ILE A 24 3.247 -8.618 -1.594 1.00 1.40 H new ATOM 0 HA ILE A 24 4.116 -5.892 -1.900 1.00 1.32 H new ATOM 0 HB ILE A 24 2.147 -7.768 -3.304 1.00 1.30 H new ATOM 0 HG12 ILE A 24 4.899 -6.803 -4.213 1.00 1.29 H new ATOM 0 HG13 ILE A 24 4.702 -8.234 -3.220 1.00 1.29 H new ATOM 0 HG21 ILE A 24 2.247 -6.209 -5.235 1.00 1.39 H new ATOM 0 HG22 ILE A 24 1.540 -5.417 -3.807 1.00 1.39 H new ATOM 0 HG23 ILE A 24 3.225 -5.078 -4.268 1.00 1.39 H new ATOM 0 HD11 ILE A 24 4.753 -8.838 -5.627 1.00 1.35 H new ATOM 0 HD12 ILE A 24 3.164 -9.220 -4.922 1.00 1.35 H new ATOM 0 HD13 ILE A 24 3.364 -7.768 -5.930 1.00 1.35 H new ATOM 357 N ALA A 25 0.921 -6.245 -1.151 1.00 1.50 N ATOM 358 CA ALA A 25 -0.243 -5.472 -0.623 1.00 1.65 C ATOM 359 C ALA A 25 0.086 -4.912 0.762 1.00 1.71 C ATOM 360 O ALA A 25 -0.148 -3.749 1.042 1.00 1.74 O ATOM 361 CB ALA A 25 -1.393 -6.478 -0.548 1.00 1.83 C ATOM 0 H ALA A 25 0.752 -7.241 -1.288 1.00 1.50 H new ATOM 0 HA ALA A 25 -0.498 -4.621 -1.255 1.00 1.65 H new ATOM 0 HB1 ALA A 25 -2.286 -5.982 -0.167 1.00 1.83 H new ATOM 0 HB2 ALA A 25 -1.595 -6.875 -1.543 1.00 1.83 H new ATOM 0 HB3 ALA A 25 -1.119 -7.295 0.120 1.00 1.83 H new ATOM 367 N ALA A 26 0.651 -5.720 1.621 1.00 1.76 N ATOM 368 CA ALA A 26 1.020 -5.224 2.981 1.00 1.87 C ATOM 369 C ALA A 26 1.998 -4.055 2.836 1.00 1.74 C ATOM 370 O ALA A 26 1.830 -3.020 3.450 1.00 1.78 O ATOM 371 CB ALA A 26 1.673 -6.414 3.693 1.00 1.98 C ATOM 0 H ALA A 26 0.873 -6.699 1.441 1.00 1.76 H new ATOM 0 HA ALA A 26 0.162 -4.862 3.548 1.00 1.87 H new ATOM 0 HB1 ALA A 26 1.969 -6.118 4.700 1.00 1.98 H new ATOM 0 HB2 ALA A 26 0.962 -7.238 3.751 1.00 1.98 H new ATOM 0 HB3 ALA A 26 2.553 -6.733 3.135 1.00 1.98 H new ATOM 377 N LEU A 27 2.995 -4.199 1.996 1.00 1.61 N ATOM 378 CA LEU A 27 3.958 -3.083 1.776 1.00 1.52 C ATOM 379 C LEU A 27 3.198 -1.878 1.207 1.00 1.46 C ATOM 380 O LEU A 27 3.333 -0.769 1.687 1.00 1.49 O ATOM 381 CB LEU A 27 4.972 -3.624 0.760 1.00 1.44 C ATOM 382 CG LEU A 27 5.866 -2.484 0.268 1.00 1.42 C ATOM 383 CD1 LEU A 27 7.319 -2.954 0.226 1.00 1.58 C ATOM 384 CD2 LEU A 27 5.430 -2.058 -1.135 1.00 1.37 C ATOM 0 H LEU A 27 3.180 -5.043 1.455 1.00 1.61 H new ATOM 0 HA LEU A 27 4.454 -2.757 2.690 1.00 1.52 H new ATOM 0 HB2 LEU A 27 5.580 -4.404 1.218 1.00 1.44 H new ATOM 0 HB3 LEU A 27 4.450 -4.080 -0.082 1.00 1.44 H new ATOM 0 HG LEU A 27 5.777 -1.638 0.949 1.00 1.42 H new ATOM 0 HD11 LEU A 27 7.954 -2.141 -0.125 1.00 1.58 H new ATOM 0 HD12 LEU A 27 7.633 -3.255 1.225 1.00 1.58 H new ATOM 0 HD13 LEU A 27 7.408 -3.802 -0.453 1.00 1.58 H new ATOM 0 HD21 LEU A 27 6.068 -1.246 -1.483 1.00 1.37 H new ATOM 0 HD22 LEU A 27 5.516 -2.905 -1.816 1.00 1.37 H new ATOM 0 HD23 LEU A 27 4.394 -1.719 -1.107 1.00 1.37 H new ATOM 396 N GLY A 28 2.381 -2.101 0.198 1.00 1.44 N ATOM 397 CA GLY A 28 1.584 -0.987 -0.405 1.00 1.47 C ATOM 398 C GLY A 28 0.790 -0.271 0.691 1.00 1.59 C ATOM 399 O GLY A 28 0.680 0.941 0.695 1.00 1.63 O ATOM 0 H GLY A 28 2.234 -3.014 -0.233 1.00 1.44 H new ATOM 0 HA2 GLY A 28 2.247 -0.282 -0.907 1.00 1.47 H new ATOM 0 HA3 GLY A 28 0.905 -1.380 -1.162 1.00 1.47 H new ATOM 403 N ALA A 29 0.253 -1.006 1.636 1.00 1.69 N ATOM 404 CA ALA A 29 -0.507 -0.351 2.743 1.00 1.86 C ATOM 405 C ALA A 29 0.473 0.281 3.731 1.00 1.89 C ATOM 406 O ALA A 29 0.279 1.391 4.194 1.00 1.99 O ATOM 407 CB ALA A 29 -1.312 -1.473 3.403 1.00 2.00 C ATOM 0 H ALA A 29 0.308 -2.023 1.687 1.00 1.69 H new ATOM 0 HA ALA A 29 -1.162 0.445 2.389 1.00 1.86 H new ATOM 0 HB1 ALA A 29 -1.897 -1.065 4.228 1.00 2.00 H new ATOM 0 HB2 ALA A 29 -1.983 -1.920 2.669 1.00 2.00 H new ATOM 0 HB3 ALA A 29 -0.631 -2.234 3.783 1.00 2.00 H new ATOM 413 N LEU A 30 1.532 -0.418 4.032 1.00 1.87 N ATOM 414 CA LEU A 30 2.565 0.117 4.969 1.00 2.00 C ATOM 415 C LEU A 30 3.042 1.494 4.482 1.00 1.75 C ATOM 416 O LEU A 30 3.135 2.439 5.251 1.00 1.76 O ATOM 417 CB LEU A 30 3.708 -0.911 4.922 1.00 2.15 C ATOM 418 CG LEU A 30 3.727 -1.726 6.217 1.00 2.06 C ATOM 419 CD1 LEU A 30 4.553 -3.000 6.010 1.00 2.58 C ATOM 420 CD2 LEU A 30 4.358 -0.896 7.335 1.00 2.41 C ATOM 0 H LEU A 30 1.730 -1.349 3.665 1.00 1.87 H new ATOM 0 HA LEU A 30 2.188 0.253 5.983 1.00 2.00 H new ATOM 0 HB2 LEU A 30 3.578 -1.574 4.066 1.00 2.15 H new ATOM 0 HB3 LEU A 30 4.662 -0.401 4.788 1.00 2.15 H new ATOM 0 HG LEU A 30 2.705 -1.992 6.489 1.00 2.06 H new ATOM 0 HD11 LEU A 30 4.566 -3.579 6.933 1.00 2.58 H new ATOM 0 HD12 LEU A 30 4.108 -3.596 5.213 1.00 2.58 H new ATOM 0 HD13 LEU A 30 5.573 -2.732 5.736 1.00 2.58 H new ATOM 0 HD21 LEU A 30 4.371 -1.477 8.257 1.00 2.41 H new ATOM 0 HD22 LEU A 30 5.378 -0.630 7.059 1.00 2.41 H new ATOM 0 HD23 LEU A 30 3.775 0.012 7.487 1.00 2.41 H new ATOM 432 N ILE A 31 3.325 1.620 3.203 1.00 1.56 N ATOM 433 CA ILE A 31 3.787 2.937 2.664 1.00 1.38 C ATOM 434 C ILE A 31 2.611 3.910 2.499 1.00 1.41 C ATOM 435 O ILE A 31 2.714 5.064 2.871 1.00 1.41 O ATOM 436 CB ILE A 31 4.471 2.650 1.316 1.00 1.25 C ATOM 437 CG1 ILE A 31 3.624 1.723 0.436 1.00 1.28 C ATOM 438 CG2 ILE A 31 5.828 1.991 1.562 1.00 1.32 C ATOM 439 CD1 ILE A 31 3.633 2.231 -1.004 1.00 1.53 C ATOM 0 H ILE A 31 3.255 0.870 2.515 1.00 1.56 H new ATOM 0 HA ILE A 31 4.483 3.415 3.353 1.00 1.38 H new ATOM 0 HB ILE A 31 4.593 3.601 0.797 1.00 1.25 H new ATOM 0 HG12 ILE A 31 4.018 0.707 0.476 1.00 1.28 H new ATOM 0 HG13 ILE A 31 2.601 1.683 0.811 1.00 1.28 H new ATOM 0 HG21 ILE A 31 6.312 1.788 0.607 1.00 1.32 H new ATOM 0 HG22 ILE A 31 6.455 2.659 2.152 1.00 1.32 H new ATOM 0 HG23 ILE A 31 5.685 1.055 2.103 1.00 1.32 H new ATOM 0 HD11 ILE A 31 3.030 1.570 -1.627 1.00 1.53 H new ATOM 0 HD12 ILE A 31 3.218 3.239 -1.037 1.00 1.53 H new ATOM 0 HD13 ILE A 31 4.657 2.248 -1.378 1.00 1.53 H new ATOM 451 N LEU A 32 1.492 3.465 1.971 1.00 1.50 N ATOM 452 CA LEU A 32 0.322 4.388 1.820 1.00 1.63 C ATOM 453 C LEU A 32 -0.042 4.964 3.191 1.00 1.79 C ATOM 454 O LEU A 32 -0.259 6.151 3.340 1.00 1.84 O ATOM 455 CB LEU A 32 -0.823 3.525 1.279 1.00 1.80 C ATOM 456 CG LEU A 32 -2.068 4.397 1.070 1.00 2.02 C ATOM 457 CD1 LEU A 32 -2.589 4.216 -0.355 1.00 2.03 C ATOM 458 CD2 LEU A 32 -3.154 3.983 2.063 1.00 2.58 C ATOM 0 H LEU A 32 1.341 2.512 1.642 1.00 1.50 H new ATOM 0 HA LEU A 32 0.534 5.223 1.152 1.00 1.63 H new ATOM 0 HB2 LEU A 32 -0.529 3.061 0.338 1.00 1.80 H new ATOM 0 HB3 LEU A 32 -1.045 2.718 1.977 1.00 1.80 H new ATOM 0 HG LEU A 32 -1.806 5.443 1.230 1.00 2.02 H new ATOM 0 HD11 LEU A 32 -3.473 4.836 -0.501 1.00 2.03 H new ATOM 0 HD12 LEU A 32 -1.817 4.512 -1.065 1.00 2.03 H new ATOM 0 HD13 LEU A 32 -2.849 3.170 -0.517 1.00 2.03 H new ATOM 0 HD21 LEU A 32 -4.038 4.603 1.914 1.00 2.58 H new ATOM 0 HD22 LEU A 32 -3.413 2.936 1.903 1.00 2.58 H new ATOM 0 HD23 LEU A 32 -2.786 4.114 3.081 1.00 2.58 H new ATOM 470 N GLY A 33 -0.093 4.124 4.197 1.00 1.90 N ATOM 471 CA GLY A 33 -0.424 4.607 5.570 1.00 2.10 C ATOM 472 C GLY A 33 0.677 5.549 6.060 1.00 2.03 C ATOM 473 O GLY A 33 0.411 6.678 6.423 1.00 2.10 O ATOM 0 H GLY A 33 0.081 3.122 4.123 1.00 1.90 H new ATOM 0 HA2 GLY A 33 -1.383 5.124 5.563 1.00 2.10 H new ATOM 0 HA3 GLY A 33 -0.523 3.761 6.250 1.00 2.10 H new ATOM 988 N GLN A 66 -11.146 27.182 -3.268 1.00 1.73 N ATOM 989 CA GLN A 66 -11.479 28.579 -3.656 1.00 1.61 C ATOM 990 C GLN A 66 -12.549 28.565 -4.749 1.00 1.57 C ATOM 991 O GLN A 66 -13.511 29.303 -4.697 1.00 1.52 O ATOM 992 CB GLN A 66 -10.165 29.169 -4.176 1.00 1.65 C ATOM 993 CG GLN A 66 -10.182 30.690 -4.002 1.00 1.80 C ATOM 994 CD GLN A 66 -9.461 31.350 -5.174 1.00 2.04 C ATOM 995 OE1 GLN A 66 -10.078 31.729 -6.151 1.00 2.12 O ATOM 996 NE2 GLN A 66 -8.172 31.506 -5.124 1.00 2.43 N ATOM 0 HA GLN A 66 -11.878 29.166 -2.829 1.00 1.61 H new ATOM 0 HB2 GLN A 66 -9.322 28.740 -3.634 1.00 1.65 H new ATOM 0 HB3 GLN A 66 -10.031 28.914 -5.227 1.00 1.65 H new ATOM 0 HG2 GLN A 66 -11.210 31.048 -3.947 1.00 1.80 H new ATOM 0 HG3 GLN A 66 -9.698 30.964 -3.064 1.00 1.80 H new ATOM 0 HE21 GLN A 66 -7.651 31.189 -4.306 1.00 2.43 H new ATOM 0 HE22 GLN A 66 -7.681 31.945 -5.903 1.00 2.43 H new ATOM 1005 N TYR A 67 -12.391 27.718 -5.727 1.00 1.67 N ATOM 1006 CA TYR A 67 -13.398 27.633 -6.832 1.00 1.68 C ATOM 1007 C TYR A 67 -14.672 26.930 -6.360 1.00 1.69 C ATOM 1008 O TYR A 67 -15.770 27.418 -6.558 1.00 1.62 O ATOM 1009 CB TYR A 67 -12.713 26.830 -7.941 1.00 1.88 C ATOM 1010 CG TYR A 67 -11.992 27.779 -8.867 1.00 1.95 C ATOM 1011 CD1 TYR A 67 -12.664 28.334 -9.962 1.00 2.09 C ATOM 1012 CD2 TYR A 67 -10.654 28.108 -8.627 1.00 2.01 C ATOM 1013 CE1 TYR A 67 -11.997 29.220 -10.815 1.00 2.27 C ATOM 1014 CE2 TYR A 67 -9.987 28.993 -9.483 1.00 2.18 C ATOM 1015 CZ TYR A 67 -10.660 29.547 -10.576 1.00 2.30 C ATOM 1016 OH TYR A 67 -10.004 30.421 -11.415 1.00 2.56 O ATOM 0 H TYR A 67 -11.604 27.075 -5.813 1.00 1.67 H new ATOM 0 HA TYR A 67 -13.704 28.621 -7.175 1.00 1.68 H new ATOM 0 HB2 TYR A 67 -12.009 26.119 -7.510 1.00 1.88 H new ATOM 0 HB3 TYR A 67 -13.451 26.251 -8.496 1.00 1.88 H new ATOM 0 HD1 TYR A 67 -13.697 28.079 -10.148 1.00 2.09 H new ATOM 0 HD2 TYR A 67 -10.136 27.680 -7.782 1.00 2.01 H new ATOM 0 HE1 TYR A 67 -12.516 29.651 -11.658 1.00 2.27 H new ATOM 0 HE2 TYR A 67 -8.954 29.247 -9.299 1.00 2.18 H new ATOM 0 HH TYR A 67 -9.082 30.541 -11.106 1.00 2.56 H new ATOM 1026 N SER A 68 -14.537 25.794 -5.737 1.00 1.86 N ATOM 1027 CA SER A 68 -15.746 25.053 -5.250 1.00 1.98 C ATOM 1028 C SER A 68 -16.496 25.877 -4.193 1.00 1.88 C ATOM 1029 O SER A 68 -17.703 25.832 -4.123 1.00 1.93 O ATOM 1030 CB SER A 68 -15.224 23.738 -4.664 1.00 2.22 C ATOM 1031 OG SER A 68 -15.227 23.810 -3.245 1.00 2.41 O ATOM 0 H SER A 68 -13.644 25.342 -5.541 1.00 1.86 H new ATOM 0 HA SER A 68 -16.457 24.867 -6.055 1.00 1.98 H new ATOM 0 HB2 SER A 68 -15.847 22.908 -4.997 1.00 2.22 H new ATOM 0 HB3 SER A 68 -14.214 23.543 -5.025 1.00 2.22 H new ATOM 0 HG SER A 68 -14.894 22.966 -2.874 1.00 2.41 H new ATOM 1037 N ALA A 69 -15.798 26.636 -3.378 1.00 1.79 N ATOM 1038 CA ALA A 69 -16.498 27.465 -2.347 1.00 1.79 C ATOM 1039 C ALA A 69 -17.062 28.737 -2.989 1.00 1.64 C ATOM 1040 O ALA A 69 -18.186 29.129 -2.732 1.00 1.69 O ATOM 1041 CB ALA A 69 -15.432 27.809 -1.302 1.00 1.83 C ATOM 0 H ALA A 69 -14.781 26.716 -3.383 1.00 1.79 H new ATOM 0 HA ALA A 69 -17.338 26.936 -1.897 1.00 1.79 H new ATOM 0 HB1 ALA A 69 -15.877 28.417 -0.515 1.00 1.83 H new ATOM 0 HB2 ALA A 69 -15.036 26.890 -0.870 1.00 1.83 H new ATOM 0 HB3 ALA A 69 -14.623 28.365 -1.776 1.00 1.83 H new ATOM 1047 N LYS A 70 -16.291 29.378 -3.833 1.00 1.52 N ATOM 1048 CA LYS A 70 -16.783 30.626 -4.500 1.00 1.45 C ATOM 1049 C LYS A 70 -17.903 30.306 -5.494 1.00 1.42 C ATOM 1050 O LYS A 70 -18.793 31.105 -5.694 1.00 1.42 O ATOM 1051 CB LYS A 70 -15.566 31.247 -5.209 1.00 1.46 C ATOM 1052 CG LYS A 70 -15.453 30.724 -6.651 1.00 1.49 C ATOM 1053 CD LYS A 70 -14.349 31.486 -7.392 1.00 1.64 C ATOM 1054 CE LYS A 70 -13.005 31.221 -6.716 1.00 1.69 C ATOM 1055 NZ LYS A 70 -12.004 31.958 -7.535 1.00 2.06 N ATOM 0 H LYS A 70 -15.346 29.093 -4.089 1.00 1.52 H new ATOM 0 HA LYS A 70 -17.206 31.322 -3.776 1.00 1.45 H new ATOM 0 HB2 LYS A 70 -15.658 32.333 -5.217 1.00 1.46 H new ATOM 0 HB3 LYS A 70 -14.656 31.008 -4.658 1.00 1.46 H new ATOM 0 HG2 LYS A 70 -15.230 29.657 -6.645 1.00 1.49 H new ATOM 0 HG3 LYS A 70 -16.404 30.848 -7.169 1.00 1.49 H new ATOM 0 HD2 LYS A 70 -14.312 31.171 -8.435 1.00 1.64 H new ATOM 0 HD3 LYS A 70 -14.565 32.554 -7.389 1.00 1.64 H new ATOM 0 HE2 LYS A 70 -13.007 31.574 -5.685 1.00 1.69 H new ATOM 0 HE3 LYS A 70 -12.782 30.154 -6.688 1.00 1.69 H new ATOM 0 HZ1 LYS A 70 -11.077 31.921 -7.066 1.00 2.06 H new ATOM 0 HZ2 LYS A 70 -11.934 31.519 -8.475 1.00 2.06 H new ATOM 0 HZ3 LYS A 70 -12.301 32.950 -7.637 1.00 2.06 H new ATOM 1069 N GLY A 71 -17.870 29.149 -6.110 1.00 1.48 N ATOM 1070 CA GLY A 71 -18.946 28.777 -7.087 1.00 1.52 C ATOM 1071 C GLY A 71 -20.314 29.070 -6.466 1.00 1.53 C ATOM 1072 O GLY A 71 -21.031 29.931 -6.935 1.00 1.46 O ATOM 0 H GLY A 71 -17.144 28.444 -5.979 1.00 1.48 H new ATOM 0 HA2 GLY A 71 -18.825 29.341 -8.012 1.00 1.52 H new ATOM 0 HA3 GLY A 71 -18.870 27.721 -7.346 1.00 1.52 H new ATOM 1076 N PRO A 72 -20.616 28.367 -5.399 1.00 1.68 N ATOM 1077 CA PRO A 72 -21.895 28.585 -4.683 1.00 1.82 C ATOM 1078 C PRO A 72 -21.880 29.964 -4.006 1.00 1.77 C ATOM 1079 O PRO A 72 -22.861 30.678 -4.043 1.00 1.84 O ATOM 1080 CB PRO A 72 -21.939 27.449 -3.661 1.00 2.08 C ATOM 1081 CG PRO A 72 -20.510 27.068 -3.457 1.00 2.03 C ATOM 1082 CD PRO A 72 -19.810 27.318 -4.765 1.00 1.83 C ATOM 0 HA PRO A 72 -22.770 28.577 -5.332 1.00 1.82 H new ATOM 0 HB2 PRO A 72 -22.400 27.773 -2.728 1.00 2.08 H new ATOM 0 HB3 PRO A 72 -22.525 26.607 -4.030 1.00 2.08 H new ATOM 0 HG2 PRO A 72 -20.061 27.658 -2.658 1.00 2.03 H new ATOM 0 HG3 PRO A 72 -20.425 26.021 -3.166 1.00 2.03 H new ATOM 0 HD2 PRO A 72 -18.781 27.642 -4.612 1.00 1.83 H new ATOM 0 HD3 PRO A 72 -19.773 26.417 -5.377 1.00 1.83 H new ATOM 1090 N CYS A 73 -20.774 30.361 -3.412 1.00 1.72 N ATOM 1091 CA CYS A 73 -20.728 31.716 -2.771 1.00 1.77 C ATOM 1092 C CYS A 73 -21.101 32.779 -3.810 1.00 1.68 C ATOM 1093 O CYS A 73 -21.882 33.674 -3.549 1.00 1.83 O ATOM 1094 CB CYS A 73 -19.289 31.904 -2.284 1.00 1.72 C ATOM 1095 SG CYS A 73 -19.269 33.094 -0.920 1.00 2.20 S ATOM 0 H CYS A 73 -19.916 29.814 -3.345 1.00 1.72 H new ATOM 0 HA CYS A 73 -21.429 31.808 -1.942 1.00 1.77 H new ATOM 0 HB2 CYS A 73 -18.877 30.950 -1.955 1.00 1.72 H new ATOM 0 HB3 CYS A 73 -18.660 32.259 -3.100 1.00 1.72 H new ATOM 0 HG CYS A 73 -18.049 33.255 -0.502 1.00 2.20 H new ATOM 1101 N VAL A 74 -20.569 32.662 -4.997 1.00 1.50 N ATOM 1102 CA VAL A 74 -20.903 33.636 -6.080 1.00 1.47 C ATOM 1103 C VAL A 74 -22.312 33.350 -6.602 1.00 1.47 C ATOM 1104 O VAL A 74 -23.112 34.252 -6.769 1.00 1.55 O ATOM 1105 CB VAL A 74 -19.849 33.415 -7.173 1.00 1.39 C ATOM 1106 CG1 VAL A 74 -20.290 34.098 -8.470 1.00 1.44 C ATOM 1107 CG2 VAL A 74 -18.515 34.015 -6.718 1.00 1.52 C ATOM 0 H VAL A 74 -19.913 31.929 -5.266 1.00 1.50 H new ATOM 0 HA VAL A 74 -20.892 34.670 -5.734 1.00 1.47 H new ATOM 0 HB VAL A 74 -19.736 32.345 -7.350 1.00 1.39 H new ATOM 0 HG11 VAL A 74 -19.536 33.936 -9.241 1.00 1.44 H new ATOM 0 HG12 VAL A 74 -21.240 33.677 -8.798 1.00 1.44 H new ATOM 0 HG13 VAL A 74 -20.408 35.168 -8.296 1.00 1.44 H new ATOM 0 HG21 VAL A 74 -17.763 33.860 -7.492 1.00 1.52 H new ATOM 0 HG22 VAL A 74 -18.638 35.083 -6.541 1.00 1.52 H new ATOM 0 HG23 VAL A 74 -18.193 33.529 -5.797 1.00 1.52 H new ATOM 1117 N GLU A 75 -22.626 32.101 -6.836 1.00 1.45 N ATOM 1118 CA GLU A 75 -23.999 31.744 -7.320 1.00 1.50 C ATOM 1119 C GLU A 75 -25.040 32.338 -6.365 1.00 1.69 C ATOM 1120 O GLU A 75 -26.032 32.910 -6.776 1.00 1.76 O ATOM 1121 CB GLU A 75 -24.049 30.211 -7.298 1.00 1.60 C ATOM 1122 CG GLU A 75 -25.163 29.713 -8.226 1.00 1.69 C ATOM 1123 CD GLU A 75 -26.295 29.104 -7.402 1.00 2.03 C ATOM 1124 OE1 GLU A 75 -26.063 28.099 -6.746 1.00 2.38 O ATOM 1125 OE2 GLU A 75 -27.385 29.653 -7.435 1.00 2.10 O ATOM 0 H GLU A 75 -21.992 31.311 -6.713 1.00 1.45 H new ATOM 0 HA GLU A 75 -24.211 32.132 -8.316 1.00 1.50 H new ATOM 0 HB2 GLU A 75 -23.090 29.802 -7.615 1.00 1.60 H new ATOM 0 HB3 GLU A 75 -24.225 29.859 -6.282 1.00 1.60 H new ATOM 0 HG2 GLU A 75 -25.543 30.539 -8.827 1.00 1.69 H new ATOM 0 HG3 GLU A 75 -24.766 28.971 -8.919 1.00 1.69 H new ATOM 1132 N ARG A 76 -24.791 32.224 -5.089 1.00 1.84 N ATOM 1133 CA ARG A 76 -25.723 32.793 -4.071 1.00 2.12 C ATOM 1134 C ARG A 76 -25.632 34.316 -4.096 1.00 2.17 C ATOM 1135 O ARG A 76 -26.630 35.008 -4.080 1.00 2.34 O ATOM 1136 CB ARG A 76 -25.231 32.250 -2.725 1.00 2.31 C ATOM 1137 CG ARG A 76 -26.045 31.013 -2.344 1.00 2.56 C ATOM 1138 CD ARG A 76 -25.737 29.876 -3.320 1.00 2.39 C ATOM 1139 NE ARG A 76 -26.755 29.997 -4.405 1.00 2.40 N ATOM 1140 CZ ARG A 76 -27.870 29.353 -4.334 1.00 2.93 C ATOM 1141 NH1 ARG A 76 -28.842 29.818 -3.626 1.00 3.37 N ATOM 1142 NH2 ARG A 76 -28.012 28.254 -4.991 1.00 3.24 N ATOM 0 H ARG A 76 -23.972 31.755 -4.703 1.00 1.84 H new ATOM 0 HA ARG A 76 -26.762 32.521 -4.257 1.00 2.12 H new ATOM 0 HB2 ARG A 76 -24.173 31.996 -2.788 1.00 2.31 H new ATOM 0 HB3 ARG A 76 -25.330 33.015 -1.955 1.00 2.31 H new ATOM 0 HG2 ARG A 76 -25.805 30.707 -1.326 1.00 2.56 H new ATOM 0 HG3 ARG A 76 -27.110 31.245 -2.365 1.00 2.56 H new ATOM 0 HD2 ARG A 76 -24.726 29.963 -3.718 1.00 2.39 H new ATOM 0 HD3 ARG A 76 -25.802 28.906 -2.827 1.00 2.39 H new ATOM 0 HE ARG A 76 -26.567 30.595 -5.210 1.00 2.40 H new ATOM 0 HH11 ARG A 76 -28.730 30.697 -3.121 1.00 3.37 H new ATOM 0 HH12 ARG A 76 -29.723 29.307 -3.571 1.00 3.37 H new ATOM 0 HH21 ARG A 76 -27.245 27.899 -5.562 1.00 3.24 H new ATOM 0 HH22 ARG A 76 -28.891 27.739 -4.940 1.00 3.24 H new ATOM 1156 N LYS A 77 -24.434 34.837 -4.147 1.00 2.07 N ATOM 1157 CA LYS A 77 -24.260 36.322 -4.191 1.00 2.20 C ATOM 1158 C LYS A 77 -24.996 36.906 -5.401 1.00 2.17 C ATOM 1159 O LYS A 77 -25.623 37.950 -5.310 1.00 2.41 O ATOM 1160 CB LYS A 77 -22.751 36.553 -4.310 1.00 2.10 C ATOM 1161 CG LYS A 77 -22.203 37.058 -2.973 1.00 2.39 C ATOM 1162 CD LYS A 77 -22.212 38.591 -2.964 1.00 2.65 C ATOM 1163 CE LYS A 77 -23.543 39.100 -2.395 1.00 2.92 C ATOM 1164 NZ LYS A 77 -24.261 39.714 -3.557 1.00 2.98 N ATOM 0 H LYS A 77 -23.567 34.299 -4.160 1.00 2.07 H new ATOM 0 HA LYS A 77 -24.670 36.808 -3.306 1.00 2.20 H new ATOM 0 HB2 LYS A 77 -22.252 35.626 -4.592 1.00 2.10 H new ATOM 0 HB3 LYS A 77 -22.545 37.279 -5.097 1.00 2.10 H new ATOM 0 HG2 LYS A 77 -22.809 36.675 -2.152 1.00 2.39 H new ATOM 0 HG3 LYS A 77 -21.189 36.689 -2.820 1.00 2.39 H new ATOM 0 HD2 LYS A 77 -21.383 38.965 -2.364 1.00 2.65 H new ATOM 0 HD3 LYS A 77 -22.070 38.971 -3.976 1.00 2.65 H new ATOM 0 HE2 LYS A 77 -24.122 38.285 -1.961 1.00 2.92 H new ATOM 0 HE3 LYS A 77 -23.378 39.831 -1.604 1.00 2.92 H new ATOM 0 HZ1 LYS A 77 -24.884 40.474 -3.218 1.00 2.98 H new ATOM 0 HZ2 LYS A 77 -23.568 40.107 -4.225 1.00 2.98 H new ATOM 0 HZ3 LYS A 77 -24.830 38.988 -4.036 1.00 2.98 H new ATOM 1178 N ALA A 78 -24.927 36.229 -6.520 1.00 1.93 N ATOM 1179 CA ALA A 78 -25.622 36.706 -7.758 1.00 1.92 C ATOM 1180 C ALA A 78 -27.131 36.466 -7.647 1.00 2.04 C ATOM 1181 O ALA A 78 -27.929 37.306 -8.019 1.00 2.21 O ATOM 1182 CB ALA A 78 -25.026 35.876 -8.900 1.00 1.69 C ATOM 0 H ALA A 78 -24.413 35.355 -6.631 1.00 1.93 H new ATOM 0 HA ALA A 78 -25.483 37.775 -7.920 1.00 1.92 H new ATOM 0 HB1 ALA A 78 -25.488 36.170 -9.843 1.00 1.69 H new ATOM 0 HB2 ALA A 78 -23.951 36.049 -8.953 1.00 1.69 H new ATOM 0 HB3 ALA A 78 -25.215 34.818 -8.718 1.00 1.69 H new ATOM 1188 N LYS A 79 -27.521 35.331 -7.125 1.00 2.02 N ATOM 1189 CA LYS A 79 -28.981 35.027 -6.961 1.00 2.22 C ATOM 1190 C LYS A 79 -29.592 36.002 -5.944 1.00 2.52 C ATOM 1191 O LYS A 79 -30.662 36.541 -6.145 1.00 2.68 O ATOM 1192 CB LYS A 79 -29.042 33.592 -6.420 1.00 2.25 C ATOM 1193 CG LYS A 79 -29.321 32.604 -7.557 1.00 2.12 C ATOM 1194 CD LYS A 79 -30.149 31.432 -7.013 1.00 2.39 C ATOM 1195 CE LYS A 79 -30.507 30.473 -8.153 1.00 2.32 C ATOM 1196 NZ LYS A 79 -29.774 29.207 -7.847 1.00 2.42 N ATOM 0 H LYS A 79 -26.891 34.597 -6.803 1.00 2.02 H new ATOM 0 HA LYS A 79 -29.534 35.128 -7.895 1.00 2.22 H new ATOM 0 HB2 LYS A 79 -28.100 33.340 -5.933 1.00 2.25 H new ATOM 0 HB3 LYS A 79 -29.822 33.515 -5.663 1.00 2.25 H new ATOM 0 HG2 LYS A 79 -29.859 33.102 -8.364 1.00 2.12 H new ATOM 0 HG3 LYS A 79 -28.383 32.239 -7.976 1.00 2.12 H new ATOM 0 HD2 LYS A 79 -29.585 30.903 -6.245 1.00 2.39 H new ATOM 0 HD3 LYS A 79 -31.058 31.806 -6.541 1.00 2.39 H new ATOM 0 HE2 LYS A 79 -31.583 30.303 -8.201 1.00 2.32 H new ATOM 0 HE3 LYS A 79 -30.205 30.879 -9.118 1.00 2.32 H new ATOM 0 HZ1 LYS A 79 -29.642 28.662 -8.723 1.00 2.42 H new ATOM 0 HZ2 LYS A 79 -28.846 29.434 -7.437 1.00 2.42 H new ATOM 0 HZ3 LYS A 79 -30.324 28.643 -7.168 1.00 2.42 H new ATOM 1210 N LEU A 80 -28.900 36.230 -4.854 1.00 2.62 N ATOM 1211 CA LEU A 80 -29.401 37.171 -3.810 1.00 2.95 C ATOM 1212 C LEU A 80 -29.417 38.599 -4.358 1.00 3.02 C ATOM 1213 O LEU A 80 -30.351 39.345 -4.149 1.00 3.27 O ATOM 1214 CB LEU A 80 -28.400 37.041 -2.657 1.00 3.00 C ATOM 1215 CG LEU A 80 -28.839 37.912 -1.477 1.00 3.38 C ATOM 1216 CD1 LEU A 80 -29.359 37.015 -0.355 1.00 3.65 C ATOM 1217 CD2 LEU A 80 -27.643 38.721 -0.965 1.00 3.48 C ATOM 0 H LEU A 80 -28.000 35.798 -4.643 1.00 2.62 H new ATOM 0 HA LEU A 80 -30.419 36.944 -3.492 1.00 2.95 H new ATOM 0 HB2 LEU A 80 -28.328 36.000 -2.343 1.00 3.00 H new ATOM 0 HB3 LEU A 80 -27.407 37.342 -2.992 1.00 3.00 H new ATOM 0 HG LEU A 80 -29.627 38.593 -1.800 1.00 3.38 H new ATOM 0 HD11 LEU A 80 -29.673 37.631 0.488 1.00 3.65 H new ATOM 0 HD12 LEU A 80 -30.208 36.435 -0.717 1.00 3.65 H new ATOM 0 HD13 LEU A 80 -28.568 36.338 -0.034 1.00 3.65 H new ATOM 0 HD21 LEU A 80 -27.956 39.341 -0.125 1.00 3.48 H new ATOM 0 HD22 LEU A 80 -26.856 38.041 -0.640 1.00 3.48 H new ATOM 0 HD23 LEU A 80 -27.265 39.358 -1.765 1.00 3.48 H new