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= -1.14! C(o=-0.63!,f=-17!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ 175:sc= 0.51 (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+ -164:sc= 0.145 (180deg=-0.0332) USER MOD Single : A 79 LYS NZ :NH3+ 176:sc= 0.996 (180deg=0.901) USER MOD ----------------------------------------------------------------- ATOM 174 N VAL A 14 0.767 -21.435 -5.950 1.00 1.21 N ATOM 175 CA VAL A 14 -0.333 -20.534 -5.479 1.00 1.11 C ATOM 176 C VAL A 14 0.038 -19.923 -4.119 1.00 1.09 C ATOM 177 O VAL A 14 -0.225 -18.768 -3.857 1.00 1.01 O ATOM 178 CB VAL A 14 -1.570 -21.434 -5.359 1.00 1.19 C ATOM 179 CG1 VAL A 14 -2.690 -20.685 -4.630 1.00 1.21 C ATOM 180 CG2 VAL A 14 -2.063 -21.819 -6.757 1.00 1.28 C ATOM 0 HA VAL A 14 -0.511 -19.703 -6.161 1.00 1.11 H new ATOM 0 HB VAL A 14 -1.302 -22.330 -4.799 1.00 1.19 H new ATOM 0 HG11 VAL A 14 -3.565 -21.329 -4.548 1.00 1.21 H new ATOM 0 HG12 VAL A 14 -2.351 -20.405 -3.633 1.00 1.21 H new ATOM 0 HG13 VAL A 14 -2.952 -19.787 -5.190 1.00 1.21 H new ATOM 0 HG21 VAL A 14 -2.942 -22.458 -6.670 1.00 1.28 H new ATOM 0 HG22 VAL A 14 -2.324 -20.918 -7.312 1.00 1.28 H new ATOM 0 HG23 VAL A 14 -1.275 -22.355 -7.286 1.00 1.28 H new ATOM 190 N VAL A 15 0.669 -20.683 -3.260 1.00 1.20 N ATOM 191 CA VAL A 15 1.071 -20.125 -1.931 1.00 1.24 C ATOM 192 C VAL A 15 2.242 -19.155 -2.119 1.00 1.16 C ATOM 193 O VAL A 15 2.317 -18.124 -1.481 1.00 1.11 O ATOM 194 CB VAL A 15 1.469 -21.336 -1.073 1.00 1.44 C ATOM 195 CG1 VAL A 15 2.189 -20.867 0.197 1.00 1.57 C ATOM 196 CG2 VAL A 15 0.210 -22.108 -0.670 1.00 1.52 C ATOM 0 H VAL A 15 0.922 -21.658 -3.418 1.00 1.20 H new ATOM 0 HA VAL A 15 0.269 -19.564 -1.450 1.00 1.24 H new ATOM 0 HB VAL A 15 2.134 -21.977 -1.652 1.00 1.44 H new ATOM 0 HG11 VAL A 15 2.467 -21.733 0.798 1.00 1.57 H new ATOM 0 HG12 VAL A 15 3.086 -20.312 -0.077 1.00 1.57 H new ATOM 0 HG13 VAL A 15 1.526 -20.222 0.774 1.00 1.57 H new ATOM 0 HG21 VAL A 15 0.490 -22.968 -0.061 1.00 1.52 H new ATOM 0 HG22 VAL A 15 -0.449 -21.456 -0.096 1.00 1.52 H new ATOM 0 HG23 VAL A 15 -0.309 -22.451 -1.565 1.00 1.52 H new ATOM 206 N THR A 16 3.139 -19.465 -3.012 1.00 1.19 N ATOM 207 CA THR A 16 4.289 -18.541 -3.263 1.00 1.17 C ATOM 208 C THR A 16 3.769 -17.198 -3.775 1.00 1.00 C ATOM 209 O THR A 16 4.130 -16.149 -3.271 1.00 0.94 O ATOM 210 CB THR A 16 5.151 -19.224 -4.334 1.00 1.27 C ATOM 211 OG1 THR A 16 5.673 -20.438 -3.817 1.00 1.43 O ATOM 212 CG2 THR A 16 6.311 -18.311 -4.724 1.00 1.29 C ATOM 0 H THR A 16 3.130 -20.313 -3.579 1.00 1.19 H new ATOM 0 HA THR A 16 4.863 -18.348 -2.356 1.00 1.17 H new ATOM 0 HB THR A 16 4.536 -19.428 -5.210 1.00 1.27 H new ATOM 0 HG1 THR A 16 6.222 -20.875 -4.501 1.00 1.43 H new ATOM 0 HG21 THR A 16 6.920 -18.801 -5.484 1.00 1.29 H new ATOM 0 HG22 THR A 16 5.919 -17.374 -5.120 1.00 1.29 H new ATOM 0 HG23 THR A 16 6.923 -18.106 -3.846 1.00 1.29 H new ATOM 220 N VAL A 17 2.925 -17.225 -4.772 1.00 0.96 N ATOM 221 CA VAL A 17 2.386 -15.952 -5.329 1.00 0.84 C ATOM 222 C VAL A 17 1.474 -15.234 -4.322 1.00 0.76 C ATOM 223 O VAL A 17 1.571 -14.032 -4.180 1.00 0.71 O ATOM 224 CB VAL A 17 1.632 -16.310 -6.618 1.00 0.86 C ATOM 225 CG1 VAL A 17 2.616 -16.846 -7.659 1.00 0.99 C ATOM 226 CG2 VAL A 17 0.559 -17.369 -6.360 1.00 0.91 C ATOM 0 H VAL A 17 2.586 -18.074 -5.224 1.00 0.96 H new ATOM 0 HA VAL A 17 3.197 -15.256 -5.542 1.00 0.84 H new ATOM 0 HB VAL A 17 1.148 -15.405 -6.984 1.00 0.86 H new ATOM 0 HG11 VAL A 17 2.078 -17.099 -8.572 1.00 0.99 H new ATOM 0 HG12 VAL A 17 3.364 -16.085 -7.878 1.00 0.99 H new ATOM 0 HG13 VAL A 17 3.108 -17.737 -7.269 1.00 0.99 H new ATOM 0 HG21 VAL A 17 0.044 -17.600 -7.293 1.00 0.91 H new ATOM 0 HG22 VAL A 17 1.027 -18.273 -5.970 1.00 0.91 H new ATOM 0 HG23 VAL A 17 -0.159 -16.990 -5.633 1.00 0.91 H new ATOM 236 N ILE A 18 0.609 -15.922 -3.601 1.00 0.80 N ATOM 237 CA ILE A 18 -0.247 -15.189 -2.618 1.00 0.79 C ATOM 238 C ILE A 18 0.619 -14.645 -1.484 1.00 0.81 C ATOM 239 O ILE A 18 0.334 -13.608 -0.928 1.00 0.80 O ATOM 240 CB ILE A 18 -1.295 -16.183 -2.104 1.00 0.90 C ATOM 241 CG1 ILE A 18 -0.624 -17.379 -1.425 1.00 1.02 C ATOM 242 CG2 ILE A 18 -2.153 -16.674 -3.269 1.00 0.91 C ATOM 243 CD1 ILE A 18 -0.729 -17.232 0.094 1.00 1.27 C ATOM 0 H ILE A 18 0.465 -16.931 -3.651 1.00 0.80 H new ATOM 0 HA ILE A 18 -0.745 -14.335 -3.077 1.00 0.79 H new ATOM 0 HB ILE A 18 -1.922 -15.674 -1.372 1.00 0.90 H new ATOM 0 HG12 ILE A 18 -1.100 -18.306 -1.745 1.00 1.02 H new ATOM 0 HG13 ILE A 18 0.423 -17.439 -1.723 1.00 1.02 H new ATOM 0 HG21 ILE A 18 -2.897 -17.380 -2.901 1.00 0.91 H new ATOM 0 HG22 ILE A 18 -2.656 -15.826 -3.733 1.00 0.91 H new ATOM 0 HG23 ILE A 18 -1.519 -17.167 -4.006 1.00 0.91 H new ATOM 0 HD11 ILE A 18 -0.251 -18.085 0.576 1.00 1.27 H new ATOM 0 HD12 ILE A 18 -0.232 -16.313 0.406 1.00 1.27 H new ATOM 0 HD13 ILE A 18 -1.779 -17.193 0.384 1.00 1.27 H new ATOM 255 N VAL A 19 1.695 -15.315 -1.160 1.00 0.89 N ATOM 256 CA VAL A 19 2.590 -14.794 -0.085 1.00 0.95 C ATOM 257 C VAL A 19 3.279 -13.523 -0.590 1.00 0.85 C ATOM 258 O VAL A 19 3.223 -12.489 0.048 1.00 0.84 O ATOM 259 CB VAL A 19 3.606 -15.913 0.201 1.00 1.10 C ATOM 260 CG1 VAL A 19 4.830 -15.343 0.928 1.00 1.18 C ATOM 261 CG2 VAL A 19 2.957 -16.974 1.090 1.00 1.25 C ATOM 0 H VAL A 19 1.990 -16.192 -1.589 1.00 0.89 H new ATOM 0 HA VAL A 19 2.051 -14.534 0.826 1.00 0.95 H new ATOM 0 HB VAL A 19 3.918 -16.354 -0.746 1.00 1.10 H new ATOM 0 HG11 VAL A 19 5.542 -16.144 1.125 1.00 1.18 H new ATOM 0 HG12 VAL A 19 5.302 -14.583 0.305 1.00 1.18 H new ATOM 0 HG13 VAL A 19 4.517 -14.896 1.871 1.00 1.18 H new ATOM 0 HG21 VAL A 19 3.676 -17.768 1.293 1.00 1.25 H new ATOM 0 HG22 VAL A 19 2.643 -16.519 2.030 1.00 1.25 H new ATOM 0 HG23 VAL A 19 2.088 -17.393 0.582 1.00 1.25 H new ATOM 271 N ILE A 20 3.906 -13.577 -1.745 1.00 0.83 N ATOM 272 CA ILE A 20 4.562 -12.351 -2.281 1.00 0.81 C ATOM 273 C ILE A 20 3.492 -11.293 -2.562 1.00 0.70 C ATOM 274 O ILE A 20 3.692 -10.119 -2.314 1.00 0.70 O ATOM 275 CB ILE A 20 5.312 -12.770 -3.559 1.00 0.87 C ATOM 276 CG1 ILE A 20 4.339 -13.310 -4.613 1.00 0.85 C ATOM 277 CG2 ILE A 20 6.344 -13.853 -3.225 1.00 1.01 C ATOM 278 CD1 ILE A 20 5.059 -13.432 -5.957 1.00 1.00 C ATOM 0 H ILE A 20 3.988 -14.409 -2.329 1.00 0.83 H new ATOM 0 HA ILE A 20 5.267 -11.914 -1.574 1.00 0.81 H new ATOM 0 HB ILE A 20 5.814 -11.890 -3.962 1.00 0.87 H new ATOM 0 HG12 ILE A 20 3.955 -14.282 -4.305 1.00 0.85 H new ATOM 0 HG13 ILE A 20 3.481 -12.644 -4.707 1.00 0.85 H new ATOM 0 HG21 ILE A 20 6.871 -14.145 -4.133 1.00 1.01 H new ATOM 0 HG22 ILE A 20 7.058 -13.463 -2.500 1.00 1.01 H new ATOM 0 HG23 ILE A 20 5.837 -14.721 -2.804 1.00 1.01 H new ATOM 0 HD11 ILE A 20 4.367 -13.816 -6.707 1.00 1.00 H new ATOM 0 HD12 ILE A 20 5.421 -12.452 -6.266 1.00 1.00 H new ATOM 0 HD13 ILE A 20 5.902 -14.116 -5.857 1.00 1.00 H new ATOM 290 N LEU A 21 2.342 -11.704 -3.040 1.00 0.66 N ATOM 291 CA LEU A 21 1.244 -10.720 -3.292 1.00 0.64 C ATOM 292 C LEU A 21 0.797 -10.116 -1.953 1.00 0.65 C ATOM 293 O LEU A 21 0.702 -8.911 -1.811 1.00 0.68 O ATOM 294 CB LEU A 21 0.109 -11.520 -3.942 1.00 0.66 C ATOM 295 CG LEU A 21 0.288 -11.520 -5.462 1.00 0.76 C ATOM 296 CD1 LEU A 21 -0.540 -12.649 -6.075 1.00 0.81 C ATOM 297 CD2 LEU A 21 -0.187 -10.182 -6.029 1.00 1.02 C ATOM 0 H LEU A 21 2.118 -12.673 -3.265 1.00 0.66 H new ATOM 0 HA LEU A 21 1.555 -9.898 -3.937 1.00 0.64 H new ATOM 0 HB2 LEU A 21 0.109 -12.543 -3.565 1.00 0.66 H new ATOM 0 HB3 LEU A 21 -0.855 -11.084 -3.679 1.00 0.66 H new ATOM 0 HG LEU A 21 1.341 -11.668 -5.702 1.00 0.76 H new ATOM 0 HD11 LEU A 21 -0.412 -12.648 -7.157 1.00 0.81 H new ATOM 0 HD12 LEU A 21 -0.207 -13.605 -5.671 1.00 0.81 H new ATOM 0 HD13 LEU A 21 -1.593 -12.500 -5.834 1.00 0.81 H new ATOM 0 HD21 LEU A 21 -0.060 -10.180 -7.112 1.00 1.02 H new ATOM 0 HD22 LEU A 21 -1.240 -10.037 -5.787 1.00 1.02 H new ATOM 0 HD23 LEU A 21 0.400 -9.373 -5.594 1.00 1.02 H new ATOM 309 N ILE A 22 0.553 -10.944 -0.958 1.00 0.70 N ATOM 310 CA ILE A 22 0.147 -10.408 0.380 1.00 0.79 C ATOM 311 C ILE A 22 1.250 -9.483 0.898 1.00 0.77 C ATOM 312 O ILE A 22 0.987 -8.403 1.394 1.00 0.80 O ATOM 313 CB ILE A 22 -0.022 -11.638 1.287 1.00 0.92 C ATOM 314 CG1 ILE A 22 -1.389 -12.287 1.023 1.00 1.00 C ATOM 315 CG2 ILE A 22 0.063 -11.230 2.764 1.00 1.12 C ATOM 316 CD1 ILE A 22 -2.515 -11.311 1.382 1.00 1.21 C ATOM 0 H ILE A 22 0.618 -11.960 -1.017 1.00 0.70 H new ATOM 0 HA ILE A 22 -0.776 -9.829 0.343 1.00 0.79 H new ATOM 0 HB ILE A 22 0.776 -12.347 1.066 1.00 0.92 H new ATOM 0 HG12 ILE A 22 -1.467 -12.574 -0.026 1.00 1.00 H new ATOM 0 HG13 ILE A 22 -1.487 -13.199 1.612 1.00 1.00 H new ATOM 0 HG21 ILE A 22 -0.059 -12.112 3.393 1.00 1.12 H new ATOM 0 HG22 ILE A 22 1.034 -10.775 2.961 1.00 1.12 H new ATOM 0 HG23 ILE A 22 -0.726 -10.512 2.989 1.00 1.12 H new ATOM 0 HD11 ILE A 22 -3.479 -11.782 1.191 1.00 1.21 H new ATOM 0 HD12 ILE A 22 -2.444 -11.045 2.437 1.00 1.21 H new ATOM 0 HD13 ILE A 22 -2.424 -10.411 0.774 1.00 1.21 H new ATOM 328 N ALA A 23 2.482 -9.895 0.757 1.00 0.78 N ATOM 329 CA ALA A 23 3.620 -9.039 1.210 1.00 0.81 C ATOM 330 C ALA A 23 3.616 -7.726 0.418 1.00 0.74 C ATOM 331 O ALA A 23 3.717 -6.653 0.982 1.00 0.76 O ATOM 332 CB ALA A 23 4.879 -9.859 0.918 1.00 0.90 C ATOM 0 H ALA A 23 2.751 -10.789 0.347 1.00 0.78 H new ATOM 0 HA ALA A 23 3.559 -8.775 2.266 1.00 0.81 H new ATOM 0 HB1 ALA A 23 5.760 -9.295 1.224 1.00 0.90 H new ATOM 0 HB2 ALA A 23 4.838 -10.797 1.471 1.00 0.90 H new ATOM 0 HB3 ALA A 23 4.936 -10.070 -0.150 1.00 0.90 H new ATOM 338 N ILE A 24 3.467 -7.801 -0.887 1.00 0.70 N ATOM 339 CA ILE A 24 3.419 -6.551 -1.708 1.00 0.72 C ATOM 340 C ILE A 24 2.237 -5.694 -1.239 1.00 0.71 C ATOM 341 O ILE A 24 2.366 -4.501 -1.033 1.00 0.75 O ATOM 342 CB ILE A 24 3.222 -7.021 -3.158 1.00 0.77 C ATOM 343 CG1 ILE A 24 4.563 -7.497 -3.733 1.00 0.91 C ATOM 344 CG2 ILE A 24 2.687 -5.868 -4.017 1.00 0.91 C ATOM 345 CD1 ILE A 24 5.576 -6.346 -3.727 1.00 1.14 C ATOM 0 H ILE A 24 3.377 -8.670 -1.414 1.00 0.70 H new ATOM 0 HA ILE A 24 4.321 -5.945 -1.616 1.00 0.72 H new ATOM 0 HB ILE A 24 2.505 -7.842 -3.168 1.00 0.77 H new ATOM 0 HG12 ILE A 24 4.945 -8.331 -3.144 1.00 0.91 H new ATOM 0 HG13 ILE A 24 4.422 -7.863 -4.750 1.00 0.91 H new ATOM 0 HG21 ILE A 24 2.551 -6.211 -5.043 1.00 0.91 H new ATOM 0 HG22 ILE A 24 1.731 -5.530 -3.617 1.00 0.91 H new ATOM 0 HG23 ILE A 24 3.399 -5.043 -4.002 1.00 0.91 H new ATOM 0 HD11 ILE A 24 6.524 -6.694 -4.137 1.00 1.14 H new ATOM 0 HD12 ILE A 24 5.197 -5.525 -4.335 1.00 1.14 H new ATOM 0 HD13 ILE A 24 5.728 -6.000 -2.705 1.00 1.14 H new ATOM 357 N ALA A 25 1.092 -6.305 -1.045 1.00 0.72 N ATOM 358 CA ALA A 25 -0.097 -5.539 -0.561 1.00 0.80 C ATOM 359 C ALA A 25 0.201 -4.945 0.818 1.00 0.81 C ATOM 360 O ALA A 25 -0.055 -3.783 1.072 1.00 0.88 O ATOM 361 CB ALA A 25 -1.232 -6.566 -0.489 1.00 0.86 C ATOM 0 H ALA A 25 0.931 -7.300 -1.201 1.00 0.72 H new ATOM 0 HA ALA A 25 -0.358 -4.707 -1.215 1.00 0.80 H new ATOM 0 HB1 ALA A 25 -2.142 -6.078 -0.140 1.00 0.86 H new ATOM 0 HB2 ALA A 25 -1.403 -6.989 -1.479 1.00 0.86 H new ATOM 0 HB3 ALA A 25 -0.959 -7.362 0.204 1.00 0.86 H new ATOM 367 N ALA A 26 0.768 -5.729 1.697 1.00 0.80 N ATOM 368 CA ALA A 26 1.117 -5.209 3.053 1.00 0.87 C ATOM 369 C ALA A 26 2.113 -4.054 2.907 1.00 0.84 C ATOM 370 O ALA A 26 1.961 -3.012 3.516 1.00 0.88 O ATOM 371 CB ALA A 26 1.747 -6.394 3.791 1.00 0.96 C ATOM 0 H ALA A 26 1.005 -6.708 1.535 1.00 0.80 H new ATOM 0 HA ALA A 26 0.254 -4.825 3.597 1.00 0.87 H new ATOM 0 HB1 ALA A 26 2.030 -6.087 4.798 1.00 0.96 H new ATOM 0 HB2 ALA A 26 1.027 -7.211 3.849 1.00 0.96 H new ATOM 0 HB3 ALA A 26 2.633 -6.729 3.252 1.00 0.96 H new ATOM 377 N LEU A 27 3.113 -4.221 2.073 1.00 0.82 N ATOM 378 CA LEU A 27 4.095 -3.123 1.853 1.00 0.88 C ATOM 379 C LEU A 27 3.361 -1.910 1.266 1.00 0.88 C ATOM 380 O LEU A 27 3.533 -0.793 1.718 1.00 0.95 O ATOM 381 CB LEU A 27 5.111 -3.690 0.853 1.00 0.94 C ATOM 382 CG LEU A 27 6.035 -2.571 0.363 1.00 1.09 C ATOM 383 CD1 LEU A 27 7.468 -3.092 0.271 1.00 1.28 C ATOM 384 CD2 LEU A 27 5.579 -2.096 -1.018 1.00 1.19 C ATOM 0 H LEU A 27 3.287 -5.072 1.538 1.00 0.82 H new ATOM 0 HA LEU A 27 4.586 -2.796 2.769 1.00 0.88 H new ATOM 0 HB2 LEU A 27 5.698 -4.479 1.324 1.00 0.94 H new ATOM 0 HB3 LEU A 27 4.591 -4.141 0.008 1.00 0.94 H new ATOM 0 HG LEU A 27 5.995 -1.739 1.066 1.00 1.09 H new ATOM 0 HD11 LEU A 27 8.124 -2.294 -0.078 1.00 1.28 H new ATOM 0 HD12 LEU A 27 7.797 -3.428 1.254 1.00 1.28 H new ATOM 0 HD13 LEU A 27 7.508 -3.926 -0.429 1.00 1.28 H new ATOM 0 HD21 LEU A 27 6.238 -1.300 -1.365 1.00 1.19 H new ATOM 0 HD22 LEU A 27 5.616 -2.929 -1.720 1.00 1.19 H new ATOM 0 HD23 LEU A 27 4.558 -1.720 -0.955 1.00 1.19 H new ATOM 396 N GLY A 28 2.519 -2.132 0.280 1.00 0.88 N ATOM 397 CA GLY A 28 1.745 -1.007 -0.323 1.00 0.98 C ATOM 398 C GLY A 28 0.917 -0.338 0.774 1.00 1.00 C ATOM 399 O GLY A 28 0.872 0.874 0.877 1.00 1.11 O ATOM 0 H GLY A 28 2.338 -3.048 -0.131 1.00 0.88 H new ATOM 0 HA2 GLY A 28 2.422 -0.285 -0.779 1.00 0.98 H new ATOM 0 HA3 GLY A 28 1.094 -1.378 -1.115 1.00 0.98 H new ATOM 403 N ALA A 29 0.279 -1.121 1.614 1.00 0.96 N ATOM 404 CA ALA A 29 -0.529 -0.529 2.725 1.00 1.05 C ATOM 405 C ALA A 29 0.392 0.226 3.686 1.00 1.04 C ATOM 406 O ALA A 29 0.121 1.352 4.066 1.00 1.13 O ATOM 407 CB ALA A 29 -1.197 -1.718 3.423 1.00 1.08 C ATOM 0 H ALA A 29 0.284 -2.140 1.577 1.00 0.96 H new ATOM 0 HA ALA A 29 -1.271 0.184 2.367 1.00 1.05 H new ATOM 0 HB1 ALA A 29 -1.807 -1.358 4.251 1.00 1.08 H new ATOM 0 HB2 ALA A 29 -1.828 -2.250 2.711 1.00 1.08 H new ATOM 0 HB3 ALA A 29 -0.431 -2.393 3.804 1.00 1.08 H new ATOM 413 N LEU A 30 1.490 -0.380 4.056 1.00 0.98 N ATOM 414 CA LEU A 30 2.462 0.296 4.971 1.00 1.03 C ATOM 415 C LEU A 30 2.901 1.626 4.346 1.00 1.07 C ATOM 416 O LEU A 30 3.000 2.637 5.015 1.00 1.14 O ATOM 417 CB LEU A 30 3.644 -0.675 5.091 1.00 1.04 C ATOM 418 CG LEU A 30 3.405 -1.638 6.258 1.00 1.17 C ATOM 419 CD1 LEU A 30 4.233 -2.908 6.051 1.00 1.24 C ATOM 420 CD2 LEU A 30 3.828 -0.967 7.565 1.00 1.46 C ATOM 0 H LEU A 30 1.758 -1.319 3.763 1.00 0.98 H new ATOM 0 HA LEU A 30 2.039 0.522 5.950 1.00 1.03 H new ATOM 0 HB2 LEU A 30 3.763 -1.235 4.163 1.00 1.04 H new ATOM 0 HB3 LEU A 30 4.569 -0.120 5.249 1.00 1.04 H new ATOM 0 HG LEU A 30 2.347 -1.896 6.304 1.00 1.17 H new ATOM 0 HD11 LEU A 30 4.063 -3.593 6.882 1.00 1.24 H new ATOM 0 HD12 LEU A 30 3.936 -3.388 5.118 1.00 1.24 H new ATOM 0 HD13 LEU A 30 5.291 -2.649 6.005 1.00 1.24 H new ATOM 0 HD21 LEU A 30 3.659 -1.651 8.397 1.00 1.46 H new ATOM 0 HD22 LEU A 30 4.886 -0.710 7.516 1.00 1.46 H new ATOM 0 HD23 LEU A 30 3.241 -0.061 7.715 1.00 1.46 H new ATOM 432 N ILE A 31 3.139 1.631 3.056 1.00 1.07 N ATOM 433 CA ILE A 31 3.547 2.895 2.365 1.00 1.20 C ATOM 434 C ILE A 31 2.354 3.860 2.314 1.00 1.25 C ATOM 435 O ILE A 31 2.485 5.039 2.600 1.00 1.37 O ATOM 436 CB ILE A 31 3.969 2.460 0.954 1.00 1.26 C ATOM 437 CG1 ILE A 31 5.280 1.665 1.030 1.00 1.28 C ATOM 438 CG2 ILE A 31 4.171 3.689 0.060 1.00 1.45 C ATOM 439 CD1 ILE A 31 6.406 2.558 1.560 1.00 1.46 C ATOM 0 H ILE A 31 3.068 0.813 2.451 1.00 1.07 H new ATOM 0 HA ILE A 31 4.356 3.416 2.877 1.00 1.20 H new ATOM 0 HB ILE A 31 3.184 1.834 0.529 1.00 1.26 H new ATOM 0 HG12 ILE A 31 5.153 0.801 1.682 1.00 1.28 H new ATOM 0 HG13 ILE A 31 5.541 1.284 0.043 1.00 1.28 H new ATOM 0 HG21 ILE A 31 4.470 3.368 -0.938 1.00 1.45 H new ATOM 0 HG22 ILE A 31 3.239 4.250 -0.004 1.00 1.45 H new ATOM 0 HG23 ILE A 31 4.948 4.324 0.485 1.00 1.45 H new ATOM 0 HD11 ILE A 31 7.332 1.985 1.610 1.00 1.46 H new ATOM 0 HD12 ILE A 31 6.541 3.408 0.891 1.00 1.46 H new ATOM 0 HD13 ILE A 31 6.147 2.917 2.556 1.00 1.46 H new ATOM 451 N LEU A 32 1.188 3.363 1.966 1.00 1.22 N ATOM 452 CA LEU A 32 -0.022 4.240 1.910 1.00 1.33 C ATOM 453 C LEU A 32 -0.264 4.885 3.283 1.00 1.36 C ATOM 454 O LEU A 32 -0.460 6.079 3.388 1.00 1.49 O ATOM 455 CB LEU A 32 -1.182 3.308 1.541 1.00 1.32 C ATOM 456 CG LEU A 32 -2.079 3.990 0.505 1.00 1.77 C ATOM 457 CD1 LEU A 32 -1.854 3.356 -0.868 1.00 1.79 C ATOM 458 CD2 LEU A 32 -3.544 3.814 0.904 1.00 2.28 C ATOM 0 H LEU A 32 1.025 2.387 1.719 1.00 1.22 H new ATOM 0 HA LEU A 32 0.088 5.049 1.188 1.00 1.33 H new ATOM 0 HB2 LEU A 32 -0.796 2.370 1.141 1.00 1.32 H new ATOM 0 HB3 LEU A 32 -1.760 3.061 2.431 1.00 1.32 H new ATOM 0 HG LEU A 32 -1.834 5.051 0.462 1.00 1.77 H new ATOM 0 HD11 LEU A 32 -2.494 3.844 -1.603 1.00 1.79 H new ATOM 0 HD12 LEU A 32 -0.810 3.477 -1.158 1.00 1.79 H new ATOM 0 HD13 LEU A 32 -2.097 2.294 -0.823 1.00 1.79 H new ATOM 0 HD21 LEU A 32 -4.183 4.300 0.166 1.00 2.28 H new ATOM 0 HD22 LEU A 32 -3.784 2.752 0.949 1.00 2.28 H new ATOM 0 HD23 LEU A 32 -3.711 4.265 1.882 1.00 2.28 H new ATOM 470 N GLY A 33 -0.240 4.096 4.334 1.00 1.28 N ATOM 471 CA GLY A 33 -0.462 4.649 5.709 1.00 1.35 C ATOM 472 C GLY A 33 0.710 5.549 6.121 1.00 1.38 C ATOM 473 O GLY A 33 0.513 6.595 6.709 1.00 1.50 O ATOM 0 H GLY A 33 -0.076 3.090 4.297 1.00 1.28 H new ATOM 0 HA2 GLY A 33 -1.391 5.218 5.733 1.00 1.35 H new ATOM 0 HA3 GLY A 33 -0.570 3.832 6.423 1.00 1.35 H new ATOM 988 N GLN A 66 -8.879 -21.129 6.260 1.00 1.22 N ATOM 989 CA GLN A 66 -9.878 -20.821 7.335 1.00 1.36 C ATOM 990 C GLN A 66 -10.701 -22.079 7.645 1.00 1.27 C ATOM 991 O GLN A 66 -10.899 -22.438 8.791 1.00 1.33 O ATOM 992 CB GLN A 66 -10.764 -19.706 6.765 1.00 1.51 C ATOM 993 CG GLN A 66 -10.165 -18.337 7.113 1.00 1.81 C ATOM 994 CD GLN A 66 -11.269 -17.387 7.586 1.00 2.24 C ATOM 995 OE1 GLN A 66 -12.124 -17.758 8.361 1.00 2.60 O ATOM 996 NE2 GLN A 66 -11.285 -16.165 7.158 1.00 2.57 N ATOM 0 HA GLN A 66 -9.408 -20.508 8.267 1.00 1.36 H new ATOM 0 HB2 GLN A 66 -10.847 -19.812 5.683 1.00 1.51 H new ATOM 0 HB3 GLN A 66 -11.772 -19.786 7.172 1.00 1.51 H new ATOM 0 HG2 GLN A 66 -9.411 -18.448 7.892 1.00 1.81 H new ATOM 0 HG3 GLN A 66 -9.663 -17.918 6.241 1.00 1.81 H new ATOM 0 HE21 GLN A 66 -10.570 -15.844 6.506 1.00 2.57 H new ATOM 0 HE22 GLN A 66 -12.013 -15.524 7.473 1.00 2.57 H new ATOM 1005 N TYR A 67 -11.151 -22.760 6.625 1.00 1.18 N ATOM 1006 CA TYR A 67 -11.938 -24.019 6.834 1.00 1.15 C ATOM 1007 C TYR A 67 -10.994 -25.145 7.268 1.00 1.01 C ATOM 1008 O TYR A 67 -11.298 -25.931 8.150 1.00 1.00 O ATOM 1009 CB TYR A 67 -12.558 -24.333 5.468 1.00 1.18 C ATOM 1010 CG TYR A 67 -13.965 -24.862 5.653 1.00 1.54 C ATOM 1011 CD1 TYR A 67 -14.173 -26.198 6.019 1.00 1.90 C ATOM 1012 CD2 TYR A 67 -15.062 -24.018 5.456 1.00 2.09 C ATOM 1013 CE1 TYR A 67 -15.475 -26.684 6.186 1.00 2.56 C ATOM 1014 CE2 TYR A 67 -16.362 -24.508 5.626 1.00 2.71 C ATOM 1015 CZ TYR A 67 -16.567 -25.839 5.990 1.00 2.87 C ATOM 1016 OH TYR A 67 -17.846 -26.324 6.146 1.00 3.61 O ATOM 0 H TYR A 67 -11.008 -22.500 5.649 1.00 1.18 H new ATOM 0 HA TYR A 67 -12.700 -23.915 7.607 1.00 1.15 H new ATOM 0 HB2 TYR A 67 -12.576 -23.435 4.851 1.00 1.18 H new ATOM 0 HB3 TYR A 67 -11.949 -25.069 4.942 1.00 1.18 H new ATOM 0 HD1 TYR A 67 -13.328 -26.853 6.172 1.00 1.90 H new ATOM 0 HD2 TYR A 67 -14.906 -22.988 5.173 1.00 2.09 H new ATOM 0 HE1 TYR A 67 -15.634 -27.715 6.467 1.00 2.56 H new ATOM 0 HE2 TYR A 67 -17.208 -23.854 5.475 1.00 2.71 H new ATOM 0 HH TYR A 67 -18.491 -25.607 5.974 1.00 3.61 H new ATOM 1026 N SER A 68 -9.843 -25.210 6.647 1.00 0.96 N ATOM 1027 CA SER A 68 -8.831 -26.265 6.986 1.00 0.94 C ATOM 1028 C SER A 68 -8.418 -26.175 8.462 1.00 1.02 C ATOM 1029 O SER A 68 -8.042 -27.162 9.061 1.00 1.06 O ATOM 1030 CB SER A 68 -7.620 -25.981 6.083 1.00 0.98 C ATOM 1031 OG SER A 68 -8.006 -26.090 4.715 1.00 1.15 O ATOM 0 H SER A 68 -9.555 -24.568 5.908 1.00 0.96 H new ATOM 0 HA SER A 68 -9.235 -27.265 6.830 1.00 0.94 H new ATOM 0 HB2 SER A 68 -7.231 -24.983 6.283 1.00 0.98 H new ATOM 0 HB3 SER A 68 -6.818 -26.685 6.302 1.00 0.98 H new ATOM 0 HG SER A 68 -7.233 -25.907 4.141 1.00 1.15 H new ATOM 1037 N ALA A 69 -8.472 -25.004 9.052 1.00 1.12 N ATOM 1038 CA ALA A 69 -8.070 -24.874 10.488 1.00 1.28 C ATOM 1039 C ALA A 69 -9.293 -24.953 11.411 1.00 1.25 C ATOM 1040 O ALA A 69 -9.269 -25.612 12.436 1.00 1.23 O ATOM 1041 CB ALA A 69 -7.410 -23.501 10.589 1.00 1.54 C ATOM 0 H ALA A 69 -8.775 -24.139 8.605 1.00 1.12 H new ATOM 0 HA ALA A 69 -7.401 -25.678 10.796 1.00 1.28 H new ATOM 0 HB1 ALA A 69 -7.086 -23.328 11.615 1.00 1.54 H new ATOM 0 HB2 ALA A 69 -6.547 -23.462 9.924 1.00 1.54 H new ATOM 0 HB3 ALA A 69 -8.126 -22.731 10.300 1.00 1.54 H new ATOM 1047 N LYS A 70 -10.355 -24.279 11.060 1.00 1.34 N ATOM 1048 CA LYS A 70 -11.586 -24.298 11.922 1.00 1.42 C ATOM 1049 C LYS A 70 -12.264 -25.661 11.880 1.00 1.18 C ATOM 1050 O LYS A 70 -12.741 -26.152 12.884 1.00 1.16 O ATOM 1051 CB LYS A 70 -12.509 -23.228 11.343 1.00 1.67 C ATOM 1052 CG LYS A 70 -11.898 -21.859 11.610 1.00 1.95 C ATOM 1053 CD LYS A 70 -12.934 -20.763 11.341 1.00 2.66 C ATOM 1054 CE LYS A 70 -12.471 -19.911 10.162 1.00 3.26 C ATOM 1055 NZ LYS A 70 -13.072 -18.564 10.388 1.00 3.36 N ATOM 0 H LYS A 70 -10.429 -23.714 10.214 1.00 1.34 H new ATOM 0 HA LYS A 70 -11.340 -24.104 12.966 1.00 1.42 H new ATOM 0 HB2 LYS A 70 -12.639 -23.381 10.272 1.00 1.67 H new ATOM 0 HB3 LYS A 70 -13.497 -23.296 11.797 1.00 1.67 H new ATOM 0 HG2 LYS A 70 -11.554 -21.800 12.642 1.00 1.95 H new ATOM 0 HG3 LYS A 70 -11.025 -21.710 10.974 1.00 1.95 H new ATOM 0 HD2 LYS A 70 -13.904 -21.209 11.123 1.00 2.66 H new ATOM 0 HD3 LYS A 70 -13.061 -20.141 12.227 1.00 2.66 H new ATOM 0 HE2 LYS A 70 -11.383 -19.854 10.121 1.00 3.26 H new ATOM 0 HE3 LYS A 70 -12.804 -20.336 9.215 1.00 3.26 H new ATOM 0 HZ1 LYS A 70 -12.727 -17.904 9.662 1.00 3.36 H new ATOM 0 HZ2 LYS A 70 -14.108 -18.632 10.330 1.00 3.36 H new ATOM 0 HZ3 LYS A 70 -12.800 -18.216 11.329 1.00 3.36 H new ATOM 1069 N GLY A 71 -12.308 -26.266 10.727 1.00 1.07 N ATOM 1070 CA GLY A 71 -12.954 -27.616 10.593 1.00 0.98 C ATOM 1071 C GLY A 71 -12.482 -28.526 11.729 1.00 0.84 C ATOM 1072 O GLY A 71 -13.282 -28.960 12.540 1.00 0.87 O ATOM 0 H GLY A 71 -11.924 -25.887 9.862 1.00 1.07 H new ATOM 0 HA2 GLY A 71 -14.039 -27.516 10.621 1.00 0.98 H new ATOM 0 HA3 GLY A 71 -12.700 -28.058 9.630 1.00 0.98 H new ATOM 1076 N PRO A 72 -11.191 -28.765 11.776 1.00 0.79 N ATOM 1077 CA PRO A 72 -10.628 -29.606 12.857 1.00 0.84 C ATOM 1078 C PRO A 72 -10.758 -28.877 14.203 1.00 0.91 C ATOM 1079 O PRO A 72 -11.143 -29.467 15.189 1.00 0.92 O ATOM 1080 CB PRO A 72 -9.169 -29.795 12.449 1.00 1.02 C ATOM 1081 CG PRO A 72 -8.866 -28.625 11.571 1.00 0.99 C ATOM 1082 CD PRO A 72 -10.146 -28.289 10.854 1.00 0.85 C ATOM 0 HA PRO A 72 -11.138 -30.561 12.983 1.00 0.84 H new ATOM 0 HB2 PRO A 72 -8.514 -29.817 13.320 1.00 1.02 H new ATOM 0 HB3 PRO A 72 -9.025 -30.736 11.918 1.00 1.02 H new ATOM 0 HG2 PRO A 72 -8.517 -27.777 12.160 1.00 0.99 H new ATOM 0 HG3 PRO A 72 -8.075 -28.867 10.861 1.00 0.99 H new ATOM 0 HD2 PRO A 72 -10.233 -27.219 10.667 1.00 0.85 H new ATOM 0 HD3 PRO A 72 -10.207 -28.787 9.886 1.00 0.85 H new ATOM 1090 N CYS A 73 -10.464 -27.595 14.254 1.00 1.05 N ATOM 1091 CA CYS A 73 -10.602 -26.852 15.550 1.00 1.26 C ATOM 1092 C CYS A 73 -12.012 -27.041 16.121 1.00 1.19 C ATOM 1093 O CYS A 73 -12.188 -27.314 17.295 1.00 1.23 O ATOM 1094 CB CYS A 73 -10.344 -25.380 15.218 1.00 1.51 C ATOM 1095 SG CYS A 73 -10.003 -24.472 16.746 1.00 2.16 S ATOM 0 H CYS A 73 -10.138 -27.038 13.464 1.00 1.05 H new ATOM 0 HA CYS A 73 -9.902 -27.216 16.302 1.00 1.26 H new ATOM 0 HB2 CYS A 73 -9.500 -25.292 14.534 1.00 1.51 H new ATOM 0 HB3 CYS A 73 -11.210 -24.952 14.713 1.00 1.51 H new ATOM 0 HG CYS A 73 -9.781 -23.222 16.468 1.00 2.16 H new ATOM 1101 N VAL A 74 -13.015 -26.925 15.293 1.00 1.16 N ATOM 1102 CA VAL A 74 -14.418 -27.124 15.777 1.00 1.23 C ATOM 1103 C VAL A 74 -14.649 -28.612 16.039 1.00 1.01 C ATOM 1104 O VAL A 74 -15.169 -28.998 17.069 1.00 1.05 O ATOM 1105 CB VAL A 74 -15.325 -26.604 14.652 1.00 1.41 C ATOM 1106 CG1 VAL A 74 -16.770 -27.045 14.903 1.00 1.59 C ATOM 1107 CG2 VAL A 74 -15.273 -25.075 14.620 1.00 1.72 C ATOM 0 H VAL A 74 -12.927 -26.701 14.302 1.00 1.16 H new ATOM 0 HA VAL A 74 -14.624 -26.596 16.708 1.00 1.23 H new ATOM 0 HB VAL A 74 -14.979 -27.009 13.701 1.00 1.41 H new ATOM 0 HG11 VAL A 74 -17.408 -26.673 14.102 1.00 1.59 H new ATOM 0 HG12 VAL A 74 -16.819 -28.134 14.930 1.00 1.59 H new ATOM 0 HG13 VAL A 74 -17.113 -26.643 15.856 1.00 1.59 H new ATOM 0 HG21 VAL A 74 -15.917 -24.706 13.822 1.00 1.72 H new ATOM 0 HG22 VAL A 74 -15.617 -24.679 15.576 1.00 1.72 H new ATOM 0 HG23 VAL A 74 -14.248 -24.749 14.440 1.00 1.72 H new ATOM 1117 N GLU A 75 -14.236 -29.444 15.120 1.00 0.87 N ATOM 1118 CA GLU A 75 -14.390 -30.925 15.299 1.00 0.85 C ATOM 1119 C GLU A 75 -13.769 -31.359 16.635 1.00 0.79 C ATOM 1120 O GLU A 75 -14.330 -32.152 17.373 1.00 0.85 O ATOM 1121 CB GLU A 75 -13.632 -31.528 14.105 1.00 0.90 C ATOM 1122 CG GLU A 75 -13.384 -33.028 14.323 1.00 1.04 C ATOM 1123 CD GLU A 75 -11.881 -33.299 14.421 1.00 1.14 C ATOM 1124 OE1 GLU A 75 -11.172 -32.997 13.468 1.00 1.28 O ATOM 1125 OE2 GLU A 75 -11.461 -33.817 15.448 1.00 1.21 O ATOM 0 H GLU A 75 -13.795 -29.162 14.245 1.00 0.87 H new ATOM 0 HA GLU A 75 -15.430 -31.250 15.326 1.00 0.85 H new ATOM 0 HB2 GLU A 75 -14.205 -31.378 13.190 1.00 0.90 H new ATOM 0 HB3 GLU A 75 -12.681 -31.012 13.973 1.00 0.90 H new ATOM 0 HG2 GLU A 75 -13.882 -33.359 15.234 1.00 1.04 H new ATOM 0 HG3 GLU A 75 -13.812 -33.600 13.500 1.00 1.04 H new ATOM 1132 N ARG A 76 -12.620 -30.827 16.948 1.00 0.82 N ATOM 1133 CA ARG A 76 -11.933 -31.179 18.226 1.00 0.98 C ATOM 1134 C ARG A 76 -12.648 -30.543 19.429 1.00 1.00 C ATOM 1135 O ARG A 76 -12.886 -31.194 20.429 1.00 1.03 O ATOM 1136 CB ARG A 76 -10.512 -30.628 18.082 1.00 1.18 C ATOM 1137 CG ARG A 76 -9.573 -31.750 17.621 1.00 1.33 C ATOM 1138 CD ARG A 76 -9.061 -31.439 16.214 1.00 1.29 C ATOM 1139 NE ARG A 76 -8.965 -32.764 15.532 1.00 1.41 N ATOM 1140 CZ ARG A 76 -8.152 -32.934 14.538 1.00 1.49 C ATOM 1141 NH1 ARG A 76 -6.873 -32.906 14.736 1.00 1.79 N ATOM 1142 NH2 ARG A 76 -8.634 -33.135 13.353 1.00 1.48 N ATOM 0 H ARG A 76 -12.120 -30.155 16.366 1.00 0.82 H new ATOM 0 HA ARG A 76 -11.936 -32.254 18.404 1.00 0.98 H new ATOM 0 HB2 ARG A 76 -10.499 -29.810 17.362 1.00 1.18 H new ATOM 0 HB3 ARG A 76 -10.170 -30.221 19.034 1.00 1.18 H new ATOM 0 HG2 ARG A 76 -8.735 -31.845 18.312 1.00 1.33 H new ATOM 0 HG3 ARG A 76 -10.099 -32.704 17.625 1.00 1.33 H new ATOM 0 HD2 ARG A 76 -9.742 -30.772 15.685 1.00 1.29 H new ATOM 0 HD3 ARG A 76 -8.091 -30.942 16.248 1.00 1.29 H new ATOM 0 HE ARG A 76 -9.544 -33.541 15.851 1.00 1.41 H new ATOM 0 HH11 ARG A 76 -6.506 -32.750 15.675 1.00 1.79 H new ATOM 0 HH12 ARG A 76 -6.233 -33.040 13.953 1.00 1.79 H new ATOM 0 HH21 ARG A 76 -9.644 -33.158 13.210 1.00 1.48 H new ATOM 0 HH22 ARG A 76 -8.004 -33.270 12.562 1.00 1.48 H new ATOM 1156 N LYS A 77 -13.002 -29.284 19.340 1.00 1.10 N ATOM 1157 CA LYS A 77 -13.711 -28.625 20.488 1.00 1.26 C ATOM 1158 C LYS A 77 -15.107 -29.237 20.663 1.00 1.14 C ATOM 1159 O LYS A 77 -15.653 -29.282 21.758 1.00 1.21 O ATOM 1160 CB LYS A 77 -13.771 -27.122 20.138 1.00 1.53 C ATOM 1161 CG LYS A 77 -15.168 -26.720 19.630 1.00 1.60 C ATOM 1162 CD LYS A 77 -16.063 -26.337 20.819 1.00 1.82 C ATOM 1163 CE LYS A 77 -17.462 -26.943 20.637 1.00 1.79 C ATOM 1164 NZ LYS A 77 -17.669 -27.814 21.832 1.00 1.67 N ATOM 0 H LYS A 77 -12.834 -28.686 18.531 1.00 1.10 H new ATOM 0 HA LYS A 77 -13.195 -28.772 21.437 1.00 1.26 H new ATOM 0 HB2 LYS A 77 -13.518 -26.531 21.018 1.00 1.53 H new ATOM 0 HB3 LYS A 77 -13.025 -26.894 19.376 1.00 1.53 H new ATOM 0 HG2 LYS A 77 -15.086 -25.881 18.939 1.00 1.60 H new ATOM 0 HG3 LYS A 77 -15.616 -27.546 19.077 1.00 1.60 H new ATOM 0 HD2 LYS A 77 -15.620 -26.695 21.749 1.00 1.82 H new ATOM 0 HD3 LYS A 77 -16.134 -25.252 20.897 1.00 1.82 H new ATOM 0 HE2 LYS A 77 -18.224 -26.165 20.580 1.00 1.79 H new ATOM 0 HE3 LYS A 77 -17.525 -27.519 19.714 1.00 1.79 H new ATOM 0 HZ1 LYS A 77 -18.463 -28.462 21.656 1.00 1.67 H new ATOM 0 HZ2 LYS A 77 -16.806 -28.366 22.013 1.00 1.67 H new ATOM 0 HZ3 LYS A 77 -17.882 -27.222 22.660 1.00 1.67 H new ATOM 1178 N ALA A 78 -15.683 -29.714 19.597 1.00 1.03 N ATOM 1179 CA ALA A 78 -17.028 -30.337 19.690 1.00 1.08 C ATOM 1180 C ALA A 78 -16.904 -31.725 20.310 1.00 0.98 C ATOM 1181 O ALA A 78 -17.564 -32.043 21.274 1.00 1.07 O ATOM 1182 CB ALA A 78 -17.531 -30.430 18.247 1.00 1.18 C ATOM 0 H ALA A 78 -15.277 -29.698 18.661 1.00 1.03 H new ATOM 0 HA ALA A 78 -17.714 -29.763 20.313 1.00 1.08 H new ATOM 0 HB1 ALA A 78 -18.523 -30.882 18.236 1.00 1.18 H new ATOM 0 HB2 ALA A 78 -17.583 -29.431 17.815 1.00 1.18 H new ATOM 0 HB3 ALA A 78 -16.846 -31.044 17.662 1.00 1.18 H new ATOM 1188 N LYS A 79 -16.045 -32.542 19.771 1.00 0.91 N ATOM 1189 CA LYS A 79 -15.863 -33.923 20.324 1.00 1.02 C ATOM 1190 C LYS A 79 -15.294 -33.883 21.759 1.00 1.01 C ATOM 1191 O LYS A 79 -15.532 -34.775 22.552 1.00 1.15 O ATOM 1192 CB LYS A 79 -14.897 -34.609 19.339 1.00 1.17 C ATOM 1193 CG LYS A 79 -13.452 -34.495 19.837 1.00 1.27 C ATOM 1194 CD LYS A 79 -12.494 -34.412 18.641 1.00 1.63 C ATOM 1195 CE LYS A 79 -12.265 -35.805 18.052 1.00 1.59 C ATOM 1196 NZ LYS A 79 -12.643 -35.670 16.621 1.00 1.47 N ATOM 0 H LYS A 79 -15.457 -32.318 18.969 1.00 0.91 H new ATOM 0 HA LYS A 79 -16.805 -34.464 20.409 1.00 1.02 H new ATOM 0 HB2 LYS A 79 -15.167 -35.659 19.227 1.00 1.17 H new ATOM 0 HB3 LYS A 79 -14.986 -34.150 18.354 1.00 1.17 H new ATOM 0 HG2 LYS A 79 -13.343 -33.610 20.464 1.00 1.27 H new ATOM 0 HG3 LYS A 79 -13.202 -35.357 20.456 1.00 1.27 H new ATOM 0 HD2 LYS A 79 -12.907 -33.750 17.880 1.00 1.63 H new ATOM 0 HD3 LYS A 79 -11.544 -33.981 18.956 1.00 1.63 H new ATOM 0 HE2 LYS A 79 -11.226 -36.116 18.161 1.00 1.59 H new ATOM 0 HE3 LYS A 79 -12.876 -36.554 18.555 1.00 1.59 H new ATOM 0 HZ1 LYS A 79 -12.451 -36.564 16.126 1.00 1.47 H new ATOM 0 HZ2 LYS A 79 -13.656 -35.444 16.549 1.00 1.47 H new ATOM 0 HZ3 LYS A 79 -12.087 -34.907 16.185 1.00 1.47 H new ATOM 1210 N LEU A 80 -14.531 -32.864 22.088 1.00 1.00 N ATOM 1211 CA LEU A 80 -13.926 -32.769 23.452 1.00 1.18 C ATOM 1212 C LEU A 80 -14.859 -32.067 24.453 1.00 1.20 C ATOM 1213 O LEU A 80 -14.897 -32.414 25.618 1.00 1.36 O ATOM 1214 CB LEU A 80 -12.641 -31.958 23.241 1.00 1.36 C ATOM 1215 CG LEU A 80 -11.809 -31.929 24.528 1.00 1.69 C ATOM 1216 CD1 LEU A 80 -10.700 -32.979 24.448 1.00 2.10 C ATOM 1217 CD2 LEU A 80 -11.173 -30.547 24.688 1.00 2.11 C ATOM 0 H LEU A 80 -14.302 -32.091 21.463 1.00 1.00 H new ATOM 0 HA LEU A 80 -13.740 -33.755 23.879 1.00 1.18 H new ATOM 0 HB2 LEU A 80 -12.056 -32.396 22.432 1.00 1.36 H new ATOM 0 HB3 LEU A 80 -12.891 -30.941 22.939 1.00 1.36 H new ATOM 0 HG LEU A 80 -12.456 -32.143 25.379 1.00 1.69 H new ATOM 0 HD11 LEU A 80 -10.110 -32.956 25.364 1.00 2.10 H new ATOM 0 HD12 LEU A 80 -11.143 -33.967 24.326 1.00 2.10 H new ATOM 0 HD13 LEU A 80 -10.055 -32.763 23.596 1.00 2.10 H new ATOM 0 HD21 LEU A 80 -10.580 -30.523 25.603 1.00 2.11 H new ATOM 0 HD22 LEU A 80 -10.529 -30.342 23.833 1.00 2.11 H new ATOM 0 HD23 LEU A 80 -11.956 -29.790 24.743 1.00 2.11 H new