USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 497 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 Single : A 23 GLN : amide:sc= -0.674 K(o=-0.67,f=-3.3) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 84:sc= 0.488 USER MOD Single : A 41 SER OG : rot -80:sc= 1.07 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= -0.709 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.525 K(o=-0.52,f=0) USER MOD Single : A 75 THR OG1 : rot -160:sc= -0.802 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 84:sc= 0.0768 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -163:sc= -0.0148 (180deg=-0.411) USER MOD Single : A 93 LYS NZ :NH3+ -143:sc=-0.00865 (180deg=-0.855) USER MOD Single : A 95 SER OG : rot 77:sc= 1.22 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 215 N ILE A 14 -2.395 -5.068 15.018 1.00 11.52 N ATOM 216 CA ILE A 14 -2.959 -4.382 16.175 1.00 61.43 C ATOM 217 C ILE A 14 -4.482 -4.449 16.164 1.00 33.03 C ATOM 218 O ILE A 14 -5.101 -4.895 17.131 1.00 4.24 O ATOM 219 CB ILE A 14 -2.521 -2.907 16.223 1.00 11.44 C ATOM 220 CG1 ILE A 14 -1.006 -2.807 16.411 1.00 63.45 C ATOM 221 CG2 ILE A 14 -3.247 -2.175 17.342 1.00 34.45 C ATOM 222 CD1 ILE A 14 -0.524 -3.349 17.738 1.00 31.12 C ATOM 0 HA ILE A 14 -2.582 -4.893 17.061 1.00 61.43 H new ATOM 0 HB ILE A 14 -2.783 -2.436 15.276 1.00 11.44 H new ATOM 0 HG12 ILE A 14 -0.512 -3.350 15.605 1.00 63.45 H new ATOM 0 HG13 ILE A 14 -0.705 -1.763 16.324 1.00 63.45 H new ATOM 0 HG21 ILE A 14 -2.927 -1.133 17.363 1.00 34.45 H new ATOM 0 HG22 ILE A 14 -4.322 -2.221 17.169 1.00 34.45 H new ATOM 0 HG23 ILE A 14 -3.013 -2.646 18.297 1.00 34.45 H new ATOM 0 HD11 ILE A 14 0.559 -3.245 17.802 1.00 31.12 H new ATOM 0 HD12 ILE A 14 -0.990 -2.791 18.550 1.00 31.12 H new ATOM 0 HD13 ILE A 14 -0.793 -4.402 17.820 1.00 31.12 H new ATOM 234 N ILE A 15 -5.081 -4.005 15.064 1.00 1.35 N ATOM 235 CA ILE A 15 -6.532 -4.017 14.927 1.00 0.22 C ATOM 236 C ILE A 15 -7.101 -5.399 15.230 1.00 54.40 C ATOM 237 O ILE A 15 -8.225 -5.526 15.714 1.00 31.02 O ATOM 238 CB ILE A 15 -6.967 -3.594 13.512 1.00 50.53 C ATOM 239 CG1 ILE A 15 -6.357 -2.237 13.151 1.00 30.41 C ATOM 240 CG2 ILE A 15 -8.485 -3.540 13.418 1.00 4.50 C ATOM 241 CD1 ILE A 15 -6.590 -1.172 14.200 1.00 61.25 C ATOM 0 H ILE A 15 -4.584 -3.633 14.255 1.00 1.35 H new ATOM 0 HA ILE A 15 -6.923 -3.299 15.648 1.00 0.22 H new ATOM 0 HB ILE A 15 -6.604 -4.335 12.800 1.00 50.53 H new ATOM 0 HG12 ILE A 15 -5.284 -2.358 13.000 1.00 30.41 H new ATOM 0 HG13 ILE A 15 -6.776 -1.900 12.203 1.00 30.41 H new ATOM 0 HG21 ILE A 15 -8.777 -3.239 12.412 1.00 4.50 H new ATOM 0 HG22 ILE A 15 -8.898 -4.525 13.637 1.00 4.50 H new ATOM 0 HG23 ILE A 15 -8.869 -2.817 14.138 1.00 4.50 H new ATOM 0 HD11 ILE A 15 -6.131 -0.237 13.878 1.00 61.25 H new ATOM 0 HD12 ILE A 15 -7.661 -1.022 14.335 1.00 61.25 H new ATOM 0 HD13 ILE A 15 -6.146 -1.488 15.144 1.00 61.25 H new ATOM 253 N GLY A 16 -6.316 -6.432 14.943 1.00 71.45 N ATOM 254 CA GLY A 16 -6.758 -7.792 15.192 1.00 13.13 C ATOM 255 C GLY A 16 -6.994 -8.063 16.665 1.00 74.42 C ATOM 256 O GLY A 16 -7.916 -8.795 17.029 1.00 61.31 O ATOM 0 H GLY A 16 -5.381 -6.352 14.542 1.00 71.45 H new ATOM 0 HA2 GLY A 16 -7.679 -7.979 14.639 1.00 13.13 H new ATOM 0 HA3 GLY A 16 -6.011 -8.489 14.812 1.00 13.13 H new ATOM 260 N LEU A 17 -6.160 -7.475 17.514 1.00 11.34 N ATOM 261 CA LEU A 17 -6.281 -7.658 18.957 1.00 71.14 C ATOM 262 C LEU A 17 -7.323 -6.710 19.541 1.00 52.44 C ATOM 263 O LEU A 17 -8.101 -7.088 20.416 1.00 34.40 O ATOM 264 CB LEU A 17 -4.929 -7.429 19.635 1.00 53.11 C ATOM 265 CG LEU A 17 -3.703 -7.940 18.877 1.00 11.54 C ATOM 266 CD1 LEU A 17 -2.431 -7.637 19.655 1.00 74.14 C ATOM 267 CD2 LEU A 17 -3.825 -9.433 18.610 1.00 2.33 C ATOM 0 H LEU A 17 -5.392 -6.867 17.229 1.00 11.34 H new ATOM 0 HA LEU A 17 -6.605 -8.682 19.143 1.00 71.14 H new ATOM 0 HB2 LEU A 17 -4.807 -6.359 19.805 1.00 53.11 H new ATOM 0 HB3 LEU A 17 -4.951 -7.907 20.615 1.00 53.11 H new ATOM 0 HG LEU A 17 -3.650 -7.424 17.919 1.00 11.54 H new ATOM 0 HD11 LEU A 17 -1.569 -8.008 19.101 1.00 74.14 H new ATOM 0 HD12 LEU A 17 -2.337 -6.560 19.794 1.00 74.14 H new ATOM 0 HD13 LEU A 17 -2.474 -8.126 20.628 1.00 74.14 H new ATOM 0 HD21 LEU A 17 -2.944 -9.779 18.070 1.00 2.33 H new ATOM 0 HD22 LEU A 17 -3.903 -9.967 19.557 1.00 2.33 H new ATOM 0 HD23 LEU A 17 -4.716 -9.624 18.011 1.00 2.33 H new ATOM 279 N VAL A 18 -7.334 -5.475 19.048 1.00 1.24 N ATOM 280 CA VAL A 18 -8.283 -4.473 19.519 1.00 44.42 C ATOM 281 C VAL A 18 -9.699 -4.797 19.056 1.00 2.35 C ATOM 282 O VAL A 18 -10.677 -4.349 19.655 1.00 3.22 O ATOM 283 CB VAL A 18 -7.903 -3.064 19.024 1.00 24.32 C ATOM 284 CG1 VAL A 18 -6.394 -2.874 19.062 1.00 1.23 C ATOM 285 CG2 VAL A 18 -8.443 -2.829 17.622 1.00 43.23 C ATOM 0 H VAL A 18 -6.697 -5.145 18.323 1.00 1.24 H new ATOM 0 HA VAL A 18 -8.247 -4.490 20.608 1.00 44.42 H new ATOM 0 HB VAL A 18 -8.355 -2.329 19.690 1.00 24.32 H new ATOM 0 HG11 VAL A 18 -6.144 -1.873 18.709 1.00 1.23 H new ATOM 0 HG12 VAL A 18 -6.037 -2.998 20.085 1.00 1.23 H new ATOM 0 HG13 VAL A 18 -5.918 -3.615 18.420 1.00 1.23 H new ATOM 0 HG21 VAL A 18 -8.165 -1.829 17.288 1.00 43.23 H new ATOM 0 HG22 VAL A 18 -8.022 -3.569 16.941 1.00 43.23 H new ATOM 0 HG23 VAL A 18 -9.529 -2.920 17.630 1.00 43.23 H new ATOM 295 N VAL A 19 -9.802 -5.579 17.987 1.00 43.03 N ATOM 296 CA VAL A 19 -11.099 -5.965 17.444 1.00 63.20 C ATOM 297 C VAL A 19 -11.517 -7.342 17.947 1.00 64.53 C ATOM 298 O VAL A 19 -12.611 -7.513 18.487 1.00 44.14 O ATOM 299 CB VAL A 19 -11.082 -5.976 15.904 1.00 61.31 C ATOM 300 CG1 VAL A 19 -12.359 -6.599 15.360 1.00 0.43 C ATOM 301 CG2 VAL A 19 -10.894 -4.567 15.363 1.00 1.24 C ATOM 0 H VAL A 19 -9.003 -5.958 17.479 1.00 43.03 H new ATOM 0 HA VAL A 19 -11.820 -5.222 17.786 1.00 63.20 H new ATOM 0 HB VAL A 19 -10.240 -6.583 15.572 1.00 61.31 H new ATOM 0 HG11 VAL A 19 -12.329 -6.598 14.270 1.00 0.43 H new ATOM 0 HG12 VAL A 19 -12.446 -7.624 15.720 1.00 0.43 H new ATOM 0 HG13 VAL A 19 -13.219 -6.022 15.700 1.00 0.43 H new ATOM 0 HG21 VAL A 19 -10.884 -4.594 14.273 1.00 1.24 H new ATOM 0 HG22 VAL A 19 -11.714 -3.934 15.703 1.00 1.24 H new ATOM 0 HG23 VAL A 19 -9.949 -4.162 15.724 1.00 1.24 H new ATOM 311 N LEU A 20 -10.639 -8.323 17.767 1.00 60.25 N ATOM 312 CA LEU A 20 -10.916 -9.688 18.203 1.00 40.55 C ATOM 313 C LEU A 20 -10.688 -9.836 19.703 1.00 32.44 C ATOM 314 O LEU A 20 -10.913 -10.903 20.273 1.00 73.31 O ATOM 315 CB LEU A 20 -10.033 -10.677 17.440 1.00 5.24 C ATOM 316 CG LEU A 20 -10.535 -12.120 17.384 1.00 3.04 C ATOM 317 CD1 LEU A 20 -12.039 -12.154 17.162 1.00 2.45 C ATOM 318 CD2 LEU A 20 -9.815 -12.893 16.289 1.00 24.02 C ATOM 0 H LEU A 20 -9.729 -8.199 17.322 1.00 60.25 H new ATOM 0 HA LEU A 20 -11.962 -9.907 17.990 1.00 40.55 H new ATOM 0 HB2 LEU A 20 -9.915 -10.315 16.419 1.00 5.24 H new ATOM 0 HB3 LEU A 20 -9.043 -10.675 17.895 1.00 5.24 H new ATOM 0 HG LEU A 20 -10.319 -12.597 18.340 1.00 3.04 H new ATOM 0 HD11 LEU A 20 -12.378 -13.189 17.125 1.00 2.45 H new ATOM 0 HD12 LEU A 20 -12.539 -11.637 17.981 1.00 2.45 H new ATOM 0 HD13 LEU A 20 -12.279 -11.660 16.221 1.00 2.45 H new ATOM 0 HD21 LEU A 20 -10.185 -13.918 16.264 1.00 24.02 H new ATOM 0 HD22 LEU A 20 -9.999 -12.417 15.326 1.00 24.02 H new ATOM 0 HD23 LEU A 20 -8.744 -12.899 16.492 1.00 24.02 H new ATOM 330 N GLY A 21 -10.242 -8.757 20.339 1.00 23.21 N ATOM 331 CA GLY A 21 -9.993 -8.788 21.769 1.00 70.25 C ATOM 332 C GLY A 21 -8.849 -9.711 22.138 1.00 31.42 C ATOM 333 O GLY A 21 -8.762 -10.846 21.668 1.00 31.12 O ATOM 0 H GLY A 21 -10.049 -7.862 19.890 1.00 23.21 H new ATOM 0 HA2 GLY A 21 -9.769 -7.780 22.118 1.00 70.25 H new ATOM 0 HA3 GLY A 21 -10.897 -9.111 22.285 1.00 70.25 H new ATOM 337 N PRO A 22 -7.944 -9.223 22.999 1.00 43.12 N ATOM 338 CA PRO A 22 -6.782 -9.996 23.449 1.00 12.42 C ATOM 339 C PRO A 22 -7.174 -11.150 24.365 1.00 61.53 C ATOM 340 O PRO A 22 -6.322 -11.922 24.803 1.00 23.33 O ATOM 341 CB PRO A 22 -5.947 -8.966 24.214 1.00 24.45 C ATOM 342 CG PRO A 22 -6.929 -7.943 24.668 1.00 11.33 C ATOM 343 CD PRO A 22 -7.984 -7.879 23.599 1.00 54.21 C ATOM 0 HA PRO A 22 -6.253 -10.461 22.617 1.00 12.42 H new ATOM 0 HB2 PRO A 22 -5.432 -9.423 25.059 1.00 24.45 H new ATOM 0 HB3 PRO A 22 -5.182 -8.524 23.576 1.00 24.45 H new ATOM 0 HG2 PRO A 22 -7.363 -8.218 25.629 1.00 11.33 H new ATOM 0 HG3 PRO A 22 -6.449 -6.973 24.801 1.00 11.33 H new ATOM 0 HD2 PRO A 22 -8.966 -7.654 24.016 1.00 54.21 H new ATOM 0 HD3 PRO A 22 -7.765 -7.104 22.864 1.00 54.21 H new ATOM 351 N GLN A 23 -8.468 -11.262 24.648 1.00 24.31 N ATOM 352 CA GLN A 23 -8.971 -12.324 25.512 1.00 42.21 C ATOM 353 C GLN A 23 -8.752 -13.693 24.876 1.00 1.33 C ATOM 354 O GLN A 23 -8.409 -14.658 25.560 1.00 40.51 O ATOM 355 CB GLN A 23 -10.458 -12.114 25.799 1.00 15.15 C ATOM 356 CG GLN A 23 -10.798 -10.702 26.249 1.00 21.04 C ATOM 357 CD GLN A 23 -9.815 -10.162 27.269 1.00 23.22 C ATOM 358 OE1 GLN A 23 -8.788 -9.583 26.913 1.00 54.31 O ATOM 359 NE2 GLN A 23 -10.124 -10.350 28.547 1.00 41.11 N ATOM 0 H GLN A 23 -9.186 -10.631 24.292 1.00 24.31 H new ATOM 0 HA GLN A 23 -8.418 -12.287 26.451 1.00 42.21 H new ATOM 0 HB2 GLN A 23 -11.029 -12.347 24.901 1.00 15.15 H new ATOM 0 HB3 GLN A 23 -10.774 -12.818 26.569 1.00 15.15 H new ATOM 0 HG2 GLN A 23 -10.815 -10.042 25.381 1.00 21.04 H new ATOM 0 HG3 GLN A 23 -11.801 -10.692 26.676 1.00 21.04 H new ATOM 0 HE21 GLN A 23 -10.986 -10.835 28.797 1.00 41.11 H new ATOM 0 HE22 GLN A 23 -9.500 -10.009 29.278 1.00 41.11 H new ATOM 368 N ARG A 24 -8.953 -13.770 23.565 1.00 44.42 N ATOM 369 CA ARG A 24 -8.779 -15.021 22.837 1.00 24.04 C ATOM 370 C ARG A 24 -7.967 -14.801 21.564 1.00 20.41 C ATOM 371 O ARG A 24 -8.362 -15.235 20.481 1.00 43.12 O ATOM 372 CB ARG A 24 -10.140 -15.627 22.489 1.00 4.23 C ATOM 373 CG ARG A 24 -11.165 -14.601 22.034 1.00 5.33 C ATOM 374 CD ARG A 24 -11.027 -14.296 20.551 1.00 72.12 C ATOM 375 NE ARG A 24 -12.090 -13.417 20.072 1.00 55.01 N ATOM 376 CZ ARG A 24 -13.359 -13.794 19.954 1.00 63.21 C ATOM 377 NH1 ARG A 24 -13.720 -15.028 20.279 1.00 42.12 N ATOM 378 NH2 ARG A 24 -14.269 -12.936 19.511 1.00 62.45 N ATOM 0 H ARG A 24 -9.237 -12.980 22.985 1.00 44.42 H new ATOM 0 HA ARG A 24 -8.235 -15.713 23.479 1.00 24.04 H new ATOM 0 HB2 ARG A 24 -10.007 -16.369 21.702 1.00 4.23 H new ATOM 0 HB3 ARG A 24 -10.528 -16.153 23.361 1.00 4.23 H new ATOM 0 HG2 ARG A 24 -12.169 -14.973 22.238 1.00 5.33 H new ATOM 0 HG3 ARG A 24 -11.042 -13.683 22.608 1.00 5.33 H new ATOM 0 HD2 ARG A 24 -10.060 -13.829 20.365 1.00 72.12 H new ATOM 0 HD3 ARG A 24 -11.045 -15.228 19.986 1.00 72.12 H new ATOM 0 HE ARG A 24 -11.845 -12.461 19.814 1.00 55.01 H new ATOM 0 HH11 ARG A 24 -13.023 -15.690 20.620 1.00 42.12 H new ATOM 0 HH12 ARG A 24 -14.694 -15.315 20.188 1.00 42.12 H new ATOM 0 HH21 ARG A 24 -13.995 -11.986 19.261 1.00 62.45 H new ATOM 0 HH22 ARG A 24 -15.243 -13.226 19.421 1.00 62.45 H new ATOM 392 N LEU A 25 -6.832 -14.125 21.702 1.00 63.43 N ATOM 393 CA LEU A 25 -5.964 -13.847 20.563 1.00 61.35 C ATOM 394 C LEU A 25 -5.253 -15.114 20.098 1.00 70.25 C ATOM 395 O LEU A 25 -5.311 -15.494 18.928 1.00 71.41 O ATOM 396 CB LEU A 25 -4.935 -12.777 20.930 1.00 43.23 C ATOM 397 CG LEU A 25 -3.773 -12.599 19.951 1.00 30.14 C ATOM 398 CD1 LEU A 25 -2.638 -13.553 20.291 1.00 35.20 C ATOM 399 CD2 LEU A 25 -4.243 -12.815 18.520 1.00 12.43 C ATOM 0 H LEU A 25 -6.491 -13.759 22.591 1.00 63.43 H new ATOM 0 HA LEU A 25 -6.585 -13.480 19.746 1.00 61.35 H new ATOM 0 HB2 LEU A 25 -5.452 -11.822 21.027 1.00 43.23 H new ATOM 0 HB3 LEU A 25 -4.524 -13.018 21.911 1.00 43.23 H new ATOM 0 HG LEU A 25 -3.401 -11.578 20.040 1.00 30.14 H new ATOM 0 HD11 LEU A 25 -1.820 -13.412 19.584 1.00 35.20 H new ATOM 0 HD12 LEU A 25 -2.283 -13.351 21.302 1.00 35.20 H new ATOM 0 HD13 LEU A 25 -2.996 -14.581 20.231 1.00 35.20 H new ATOM 0 HD21 LEU A 25 -3.403 -12.684 17.838 1.00 12.43 H new ATOM 0 HD22 LEU A 25 -4.641 -13.824 18.416 1.00 12.43 H new ATOM 0 HD23 LEU A 25 -5.022 -12.091 18.280 1.00 12.43 H new ATOM 411 N PRO A 26 -4.567 -15.786 21.034 1.00 0.22 N ATOM 412 CA PRO A 26 -3.834 -17.022 20.745 1.00 40.24 C ATOM 413 C PRO A 26 -4.765 -18.192 20.448 1.00 73.12 C ATOM 414 O PRO A 26 -4.317 -19.275 20.071 1.00 32.22 O ATOM 415 CB PRO A 26 -3.047 -17.278 22.033 1.00 53.34 C ATOM 416 CG PRO A 26 -3.834 -16.596 23.099 1.00 44.15 C ATOM 417 CD PRO A 26 -4.455 -15.391 22.448 1.00 5.42 C ATOM 0 HA PRO A 26 -3.207 -16.926 19.859 1.00 40.24 H new ATOM 0 HB2 PRO A 26 -2.951 -18.345 22.233 1.00 53.34 H new ATOM 0 HB3 PRO A 26 -2.037 -16.874 21.967 1.00 53.34 H new ATOM 0 HG2 PRO A 26 -4.599 -17.259 23.504 1.00 44.15 H new ATOM 0 HG3 PRO A 26 -3.193 -16.303 23.931 1.00 44.15 H new ATOM 0 HD2 PRO A 26 -5.429 -15.159 22.879 1.00 5.42 H new ATOM 0 HD3 PRO A 26 -3.833 -14.504 22.569 1.00 5.42 H new ATOM 425 N VAL A 27 -6.064 -17.967 20.619 1.00 32.24 N ATOM 426 CA VAL A 27 -7.059 -19.003 20.368 1.00 11.13 C ATOM 427 C VAL A 27 -7.094 -19.385 18.893 1.00 61.41 C ATOM 428 O VAL A 27 -7.067 -20.566 18.546 1.00 12.15 O ATOM 429 CB VAL A 27 -8.465 -18.548 20.803 1.00 50.24 C ATOM 430 CG1 VAL A 27 -9.517 -19.539 20.330 1.00 32.41 C ATOM 431 CG2 VAL A 27 -8.525 -18.373 22.313 1.00 52.05 C ATOM 0 H VAL A 27 -6.452 -17.076 20.930 1.00 32.24 H new ATOM 0 HA VAL A 27 -6.768 -19.872 20.958 1.00 11.13 H new ATOM 0 HB VAL A 27 -8.675 -17.584 20.340 1.00 50.24 H new ATOM 0 HG11 VAL A 27 -10.504 -19.201 20.647 1.00 32.41 H new ATOM 0 HG12 VAL A 27 -9.489 -19.608 19.243 1.00 32.41 H new ATOM 0 HG13 VAL A 27 -9.314 -20.519 20.761 1.00 32.41 H new ATOM 0 HG21 VAL A 27 -9.525 -18.051 22.603 1.00 52.05 H new ATOM 0 HG22 VAL A 27 -8.294 -19.321 22.799 1.00 52.05 H new ATOM 0 HG23 VAL A 27 -7.799 -17.621 22.621 1.00 52.05 H new ATOM 441 N ALA A 28 -7.153 -18.379 18.028 1.00 51.55 N ATOM 442 CA ALA A 28 -7.189 -18.609 16.589 1.00 41.03 C ATOM 443 C ALA A 28 -5.909 -19.285 16.109 1.00 31.41 C ATOM 444 O ALA A 28 -5.954 -20.315 15.436 1.00 50.04 O ATOM 445 CB ALA A 28 -7.404 -17.297 15.849 1.00 4.32 C ATOM 0 H ALA A 28 -7.177 -17.396 18.298 1.00 51.55 H new ATOM 0 HA ALA A 28 -8.024 -19.276 16.374 1.00 41.03 H new ATOM 0 HB1 ALA A 28 -7.429 -17.485 14.776 1.00 4.32 H new ATOM 0 HB2 ALA A 28 -8.349 -16.854 16.162 1.00 4.32 H new ATOM 0 HB3 ALA A 28 -6.588 -16.612 16.079 1.00 4.32 H new ATOM 451 N VAL A 29 -4.768 -18.700 16.460 1.00 55.23 N ATOM 452 CA VAL A 29 -3.476 -19.246 16.065 1.00 23.42 C ATOM 453 C VAL A 29 -3.340 -20.702 16.497 1.00 24.21 C ATOM 454 O VAL A 29 -3.059 -21.580 15.681 1.00 61.21 O ATOM 455 CB VAL A 29 -2.315 -18.433 16.668 1.00 42.02 C ATOM 456 CG1 VAL A 29 -0.982 -18.915 16.116 1.00 41.33 C ATOM 457 CG2 VAL A 29 -2.508 -16.949 16.397 1.00 12.42 C ATOM 0 H VAL A 29 -4.713 -17.848 17.017 1.00 55.23 H new ATOM 0 HA VAL A 29 -3.426 -19.186 14.978 1.00 23.42 H new ATOM 0 HB VAL A 29 -2.310 -18.585 17.747 1.00 42.02 H new ATOM 0 HG11 VAL A 29 -0.174 -18.329 16.553 1.00 41.33 H new ATOM 0 HG12 VAL A 29 -0.844 -19.967 16.366 1.00 41.33 H new ATOM 0 HG13 VAL A 29 -0.972 -18.795 15.033 1.00 41.33 H new ATOM 0 HG21 VAL A 29 -1.679 -16.389 16.830 1.00 12.42 H new ATOM 0 HG22 VAL A 29 -2.540 -16.777 15.321 1.00 12.42 H new ATOM 0 HG23 VAL A 29 -3.444 -16.616 16.846 1.00 12.42 H new ATOM 467 N LYS A 30 -3.541 -20.952 17.786 1.00 21.34 N ATOM 468 CA LYS A 30 -3.443 -22.302 18.329 1.00 61.11 C ATOM 469 C LYS A 30 -4.358 -23.260 17.572 1.00 24.25 C ATOM 470 O LYS A 30 -3.942 -24.350 17.177 1.00 74.10 O ATOM 471 CB LYS A 30 -3.803 -22.304 19.816 1.00 12.42 C ATOM 472 CG LYS A 30 -2.759 -21.638 20.696 1.00 62.33 C ATOM 473 CD LYS A 30 -1.882 -22.664 21.394 1.00 71.32 C ATOM 474 CE LYS A 30 -0.412 -22.280 21.325 1.00 21.41 C ATOM 475 NZ LYS A 30 0.361 -23.199 20.444 1.00 32.53 N ATOM 0 H LYS A 30 -3.773 -20.237 18.475 1.00 21.34 H new ATOM 0 HA LYS A 30 -2.414 -22.640 18.211 1.00 61.11 H new ATOM 0 HB2 LYS A 30 -4.758 -21.795 19.951 1.00 12.42 H new ATOM 0 HB3 LYS A 30 -3.941 -23.334 20.146 1.00 12.42 H new ATOM 0 HG2 LYS A 30 -2.138 -20.979 20.090 1.00 62.33 H new ATOM 0 HG3 LYS A 30 -3.254 -21.014 21.440 1.00 62.33 H new ATOM 0 HD2 LYS A 30 -2.187 -22.756 22.437 1.00 71.32 H new ATOM 0 HD3 LYS A 30 -2.026 -23.641 20.933 1.00 71.32 H new ATOM 0 HE2 LYS A 30 -0.320 -21.259 20.954 1.00 21.41 H new ATOM 0 HE3 LYS A 30 0.014 -22.294 22.328 1.00 21.41 H new ATOM 0 HZ1 LYS A 30 1.358 -22.904 20.424 1.00 32.53 H new ATOM 0 HZ2 LYS A 30 0.295 -24.170 20.812 1.00 32.53 H new ATOM 0 HZ3 LYS A 30 -0.029 -23.166 19.481 1.00 32.53 H new ATOM 489 N THR A 31 -5.605 -22.847 17.373 1.00 53.42 N ATOM 490 CA THR A 31 -6.578 -23.668 16.664 1.00 53.34 C ATOM 491 C THR A 31 -6.090 -24.010 15.261 1.00 73.24 C ATOM 492 O THR A 31 -5.879 -25.178 14.934 1.00 74.13 O ATOM 493 CB THR A 31 -7.943 -22.960 16.562 1.00 43.13 C ATOM 494 OG1 THR A 31 -8.585 -22.947 17.842 1.00 63.15 O ATOM 495 CG2 THR A 31 -8.838 -23.654 15.546 1.00 21.14 C ATOM 0 H THR A 31 -5.965 -21.948 17.693 1.00 53.42 H new ATOM 0 HA THR A 31 -6.695 -24.586 17.239 1.00 53.34 H new ATOM 0 HB THR A 31 -7.773 -21.935 16.232 1.00 43.13 H new ATOM 0 HG1 THR A 31 -8.253 -22.189 18.367 1.00 63.15 H new ATOM 0 HG21 THR A 31 -9.796 -23.137 15.491 1.00 21.14 H new ATOM 0 HG22 THR A 31 -8.359 -23.636 14.567 1.00 21.14 H new ATOM 0 HG23 THR A 31 -9.001 -24.688 15.851 1.00 21.14 H new ATOM 503 N VAL A 32 -5.912 -22.984 14.434 1.00 23.42 N ATOM 504 CA VAL A 32 -5.446 -23.177 13.066 1.00 13.10 C ATOM 505 C VAL A 32 -4.257 -24.130 13.019 1.00 74.10 C ATOM 506 O VAL A 32 -4.341 -25.216 12.445 1.00 14.45 O ATOM 507 CB VAL A 32 -5.044 -21.840 12.416 1.00 11.55 C ATOM 508 CG1 VAL A 32 -4.707 -22.040 10.947 1.00 40.52 C ATOM 509 CG2 VAL A 32 -6.154 -20.812 12.582 1.00 24.15 C ATOM 0 H VAL A 32 -6.084 -22.011 14.688 1.00 23.42 H new ATOM 0 HA VAL A 32 -6.276 -23.609 12.507 1.00 13.10 H new ATOM 0 HB VAL A 32 -4.154 -21.464 12.920 1.00 11.55 H new ATOM 0 HG11 VAL A 32 -4.425 -21.084 10.505 1.00 40.52 H new ATOM 0 HG12 VAL A 32 -3.877 -22.740 10.856 1.00 40.52 H new ATOM 0 HG13 VAL A 32 -5.577 -22.439 10.425 1.00 40.52 H new ATOM 0 HG21 VAL A 32 -5.853 -19.873 12.117 1.00 24.15 H new ATOM 0 HG22 VAL A 32 -7.063 -21.178 12.105 1.00 24.15 H new ATOM 0 HG23 VAL A 32 -6.342 -20.647 13.643 1.00 24.15 H new ATOM 519 N ALA A 33 -3.150 -23.717 13.627 1.00 52.43 N ATOM 520 CA ALA A 33 -1.944 -24.535 13.657 1.00 52.44 C ATOM 521 C ALA A 33 -2.217 -25.891 14.297 1.00 21.40 C ATOM 522 O ALA A 33 -1.475 -26.850 14.084 1.00 53.31 O ATOM 523 CB ALA A 33 -0.833 -23.810 14.403 1.00 75.32 C ATOM 0 H ALA A 33 -3.063 -22.820 14.106 1.00 52.43 H new ATOM 0 HA ALA A 33 -1.624 -24.706 12.629 1.00 52.44 H new ATOM 0 HB1 ALA A 33 0.062 -24.432 14.418 1.00 75.32 H new ATOM 0 HB2 ALA A 33 -0.612 -22.868 13.901 1.00 75.32 H new ATOM 0 HB3 ALA A 33 -1.152 -23.609 15.426 1.00 75.32 H new ATOM 529 N GLY A 34 -3.286 -25.965 15.084 1.00 72.31 N ATOM 530 CA GLY A 34 -3.637 -27.209 15.744 1.00 60.21 C ATOM 531 C GLY A 34 -3.958 -28.317 14.760 1.00 31.04 C ATOM 532 O GLY A 34 -3.211 -29.288 14.644 1.00 62.32 O ATOM 0 H GLY A 34 -3.915 -25.186 15.276 1.00 72.31 H new ATOM 0 HA2 GLY A 34 -2.812 -27.523 16.383 1.00 60.21 H new ATOM 0 HA3 GLY A 34 -4.497 -27.043 16.392 1.00 60.21 H new ATOM 536 N TRP A 35 -5.073 -28.173 14.053 1.00 44.42 N ATOM 537 CA TRP A 35 -5.492 -29.171 13.075 1.00 2.33 C ATOM 538 C TRP A 35 -4.616 -29.113 11.829 1.00 70.04 C ATOM 539 O TRP A 35 -4.550 -30.074 11.061 1.00 43.51 O ATOM 540 CB TRP A 35 -6.958 -28.957 12.694 1.00 24.13 C ATOM 541 CG TRP A 35 -7.275 -27.539 12.327 1.00 34.12 C ATOM 542 CD1 TRP A 35 -7.637 -26.534 13.178 1.00 43.42 C ATOM 543 CD2 TRP A 35 -7.262 -26.970 11.013 1.00 20.53 C ATOM 544 NE1 TRP A 35 -7.849 -25.374 12.472 1.00 62.03 N ATOM 545 CE2 TRP A 35 -7.625 -25.615 11.142 1.00 24.41 C ATOM 546 CE3 TRP A 35 -6.977 -27.473 9.741 1.00 20.30 C ATOM 547 CZ2 TRP A 35 -7.710 -24.761 10.046 1.00 12.34 C ATOM 548 CZ3 TRP A 35 -7.063 -26.624 8.654 1.00 4.35 C ATOM 549 CH2 TRP A 35 -7.426 -25.280 8.813 1.00 41.35 C ATOM 0 H TRP A 35 -5.703 -27.375 14.138 1.00 44.42 H new ATOM 0 HA TRP A 35 -5.382 -30.156 13.528 1.00 2.33 H new ATOM 0 HB2 TRP A 35 -7.206 -29.606 11.854 1.00 24.13 H new ATOM 0 HB3 TRP A 35 -7.591 -29.259 13.529 1.00 24.13 H new ATOM 0 HD1 TRP A 35 -7.741 -26.636 14.248 1.00 43.42 H new ATOM 0 HE1 TRP A 35 -8.128 -24.479 12.873 1.00 62.03 H new ATOM 0 HE3 TRP A 35 -6.694 -28.507 9.610 1.00 20.30 H new ATOM 0 HZ2 TRP A 35 -7.990 -23.725 10.165 1.00 12.34 H new ATOM 0 HZ3 TRP A 35 -6.847 -27.003 7.666 1.00 4.35 H new ATOM 0 HH2 TRP A 35 -7.483 -24.641 7.944 1.00 41.35 H new ATOM 560 N ILE A 36 -3.946 -27.982 11.633 1.00 21.43 N ATOM 561 CA ILE A 36 -3.073 -27.802 10.480 1.00 53.32 C ATOM 562 C ILE A 36 -1.849 -28.706 10.570 1.00 61.13 C ATOM 563 O ILE A 36 -1.540 -29.444 9.634 1.00 23.21 O ATOM 564 CB ILE A 36 -2.609 -26.339 10.349 1.00 62.10 C ATOM 565 CG1 ILE A 36 -3.656 -25.514 9.598 1.00 45.13 C ATOM 566 CG2 ILE A 36 -1.265 -26.272 9.640 1.00 45.22 C ATOM 567 CD1 ILE A 36 -3.169 -24.137 9.201 1.00 32.54 C ATOM 0 H ILE A 36 -3.991 -27.177 12.258 1.00 21.43 H new ATOM 0 HA ILE A 36 -3.655 -28.071 9.598 1.00 53.32 H new ATOM 0 HB ILE A 36 -2.492 -25.919 11.348 1.00 62.10 H new ATOM 0 HG12 ILE A 36 -3.959 -26.056 8.702 1.00 45.13 H new ATOM 0 HG13 ILE A 36 -4.543 -25.411 10.224 1.00 45.13 H new ATOM 0 HG21 ILE A 36 -0.950 -25.232 9.555 1.00 45.22 H new ATOM 0 HG22 ILE A 36 -0.524 -26.830 10.212 1.00 45.22 H new ATOM 0 HG23 ILE A 36 -1.357 -26.706 8.644 1.00 45.22 H new ATOM 0 HD11 ILE A 36 -3.963 -23.609 8.673 1.00 32.54 H new ATOM 0 HD12 ILE A 36 -2.893 -23.577 10.095 1.00 32.54 H new ATOM 0 HD13 ILE A 36 -2.300 -24.232 8.549 1.00 32.54 H new ATOM 579 N ARG A 37 -1.157 -28.645 11.702 1.00 5.44 N ATOM 580 CA ARG A 37 0.034 -29.459 11.915 1.00 1.42 C ATOM 581 C ARG A 37 -0.338 -30.926 12.108 1.00 42.11 C ATOM 582 O ARG A 37 0.380 -31.822 11.665 1.00 4.31 O ATOM 583 CB ARG A 37 0.812 -28.954 13.132 1.00 33.44 C ATOM 584 CG ARG A 37 2.289 -29.310 13.101 1.00 2.12 C ATOM 585 CD ARG A 37 2.995 -28.654 11.925 1.00 62.23 C ATOM 586 NE ARG A 37 4.447 -28.776 12.021 1.00 64.33 N ATOM 587 CZ ARG A 37 5.113 -29.886 11.721 1.00 31.21 C ATOM 588 NH1 ARG A 37 4.460 -30.964 11.308 1.00 10.33 N ATOM 589 NH2 ARG A 37 6.435 -29.919 11.834 1.00 74.53 N ATOM 0 H ARG A 37 -1.400 -28.040 12.487 1.00 5.44 H new ATOM 0 HA ARG A 37 0.664 -29.375 11.030 1.00 1.42 H new ATOM 0 HB2 ARG A 37 0.709 -27.871 13.194 1.00 33.44 H new ATOM 0 HB3 ARG A 37 0.366 -29.369 14.036 1.00 33.44 H new ATOM 0 HG2 ARG A 37 2.760 -28.994 14.032 1.00 2.12 H new ATOM 0 HG3 ARG A 37 2.402 -30.392 13.037 1.00 2.12 H new ATOM 0 HD2 ARG A 37 2.653 -29.111 10.996 1.00 62.23 H new ATOM 0 HD3 ARG A 37 2.722 -27.600 11.881 1.00 62.23 H new ATOM 0 HE ARG A 37 4.979 -27.965 12.336 1.00 64.33 H new ATOM 0 HH11 ARG A 37 3.444 -30.942 11.220 1.00 10.33 H new ATOM 0 HH12 ARG A 37 4.974 -31.815 11.078 1.00 10.33 H new ATOM 0 HH21 ARG A 37 6.941 -29.092 12.151 1.00 74.53 H new ATOM 0 HH22 ARG A 37 6.945 -30.771 11.604 1.00 74.53 H new ATOM 603 N ALA A 38 -1.464 -31.163 12.772 1.00 32.20 N ATOM 604 CA ALA A 38 -1.932 -32.521 13.022 1.00 51.20 C ATOM 605 C ALA A 38 -2.203 -33.258 11.715 1.00 41.43 C ATOM 606 O ALA A 38 -1.677 -34.347 11.484 1.00 63.24 O ATOM 607 CB ALA A 38 -3.184 -32.497 13.886 1.00 54.23 C ATOM 0 H ALA A 38 -2.069 -30.432 13.147 1.00 32.20 H new ATOM 0 HA ALA A 38 -1.146 -33.057 13.555 1.00 51.20 H new ATOM 0 HB1 ALA A 38 -3.522 -33.518 14.065 1.00 54.23 H new ATOM 0 HB2 ALA A 38 -2.960 -32.017 14.839 1.00 54.23 H new ATOM 0 HB3 ALA A 38 -3.968 -31.939 13.375 1.00 54.23 H new ATOM 613 N LEU A 39 -3.027 -32.658 10.863 1.00 43.44 N ATOM 614 CA LEU A 39 -3.368 -33.258 9.577 1.00 12.45 C ATOM 615 C LEU A 39 -2.148 -33.318 8.664 1.00 75.44 C ATOM 616 O LEU A 39 -1.949 -34.296 7.943 1.00 61.14 O ATOM 617 CB LEU A 39 -4.487 -32.462 8.902 1.00 4.01 C ATOM 618 CG LEU A 39 -4.067 -31.158 8.223 1.00 2.44 C ATOM 619 CD1 LEU A 39 -3.626 -31.419 6.791 1.00 15.33 C ATOM 620 CD2 LEU A 39 -5.205 -30.148 8.258 1.00 71.34 C ATOM 0 H LEU A 39 -3.471 -31.757 11.039 1.00 43.44 H new ATOM 0 HA LEU A 39 -3.713 -34.276 9.758 1.00 12.45 H new ATOM 0 HB2 LEU A 39 -4.961 -33.100 8.156 1.00 4.01 H new ATOM 0 HB3 LEU A 39 -5.244 -32.231 9.651 1.00 4.01 H new ATOM 0 HG LEU A 39 -3.222 -30.742 8.771 1.00 2.44 H new ATOM 0 HD11 LEU A 39 -3.331 -30.479 6.324 1.00 15.33 H new ATOM 0 HD12 LEU A 39 -2.780 -32.106 6.790 1.00 15.33 H new ATOM 0 HD13 LEU A 39 -4.451 -31.859 6.231 1.00 15.33 H new ATOM 0 HD21 LEU A 39 -4.888 -29.226 7.770 1.00 71.34 H new ATOM 0 HD22 LEU A 39 -6.070 -30.556 7.735 1.00 71.34 H new ATOM 0 HD23 LEU A 39 -5.473 -29.937 9.293 1.00 71.34 H new ATOM 632 N ARG A 40 -1.335 -32.268 8.701 1.00 63.32 N ATOM 633 CA ARG A 40 -0.134 -32.203 7.877 1.00 42.23 C ATOM 634 C ARG A 40 0.838 -33.321 8.243 1.00 42.25 C ATOM 635 O ARG A 40 1.229 -34.120 7.392 1.00 35.50 O ATOM 636 CB ARG A 40 0.550 -30.844 8.041 1.00 32.11 C ATOM 637 CG ARG A 40 1.713 -30.628 7.087 1.00 21.30 C ATOM 638 CD ARG A 40 1.701 -29.225 6.502 1.00 54.22 C ATOM 639 NE ARG A 40 2.795 -29.016 5.557 1.00 12.23 N ATOM 640 CZ ARG A 40 2.919 -27.927 4.806 1.00 24.32 C ATOM 641 NH1 ARG A 40 2.023 -26.954 4.889 1.00 33.32 N ATOM 642 NH2 ARG A 40 3.943 -27.810 3.970 1.00 22.41 N ATOM 0 H ARG A 40 -1.486 -31.451 9.292 1.00 63.32 H new ATOM 0 HA ARG A 40 -0.431 -32.330 6.836 1.00 42.23 H new ATOM 0 HB2 ARG A 40 -0.186 -30.055 7.887 1.00 32.11 H new ATOM 0 HB3 ARG A 40 0.909 -30.749 9.066 1.00 32.11 H new ATOM 0 HG2 ARG A 40 2.653 -30.796 7.613 1.00 21.30 H new ATOM 0 HG3 ARG A 40 1.664 -31.360 6.281 1.00 21.30 H new ATOM 0 HD2 ARG A 40 0.750 -29.050 6.000 1.00 54.22 H new ATOM 0 HD3 ARG A 40 1.774 -28.495 7.309 1.00 54.22 H new ATOM 0 HE ARG A 40 3.502 -29.746 5.469 1.00 12.23 H new ATOM 0 HH11 ARG A 40 1.235 -27.040 5.531 1.00 33.32 H new ATOM 0 HH12 ARG A 40 2.121 -26.119 4.311 1.00 33.32 H new ATOM 0 HH21 ARG A 40 4.635 -28.556 3.904 1.00 22.41 H new ATOM 0 HH22 ARG A 40 4.038 -26.974 3.394 1.00 22.41 H new ATOM 656 N SER A 41 1.225 -33.369 9.513 1.00 21.32 N ATOM 657 CA SER A 41 2.155 -34.386 9.991 1.00 72.22 C ATOM 658 C SER A 41 1.625 -35.787 9.699 1.00 14.25 C ATOM 659 O SER A 41 2.374 -36.674 9.290 1.00 70.32 O ATOM 660 CB SER A 41 2.396 -34.222 11.493 1.00 52.13 C ATOM 661 OG SER A 41 1.191 -34.379 12.223 1.00 64.33 O ATOM 0 H SER A 41 0.909 -32.716 10.230 1.00 21.32 H new ATOM 0 HA SER A 41 3.100 -34.256 9.463 1.00 72.22 H new ATOM 0 HB2 SER A 41 3.127 -34.957 11.830 1.00 52.13 H new ATOM 0 HB3 SER A 41 2.819 -33.237 11.691 1.00 52.13 H new ATOM 0 HG SER A 41 0.674 -33.547 12.184 1.00 64.33 H new ATOM 667 N LEU A 42 0.328 -35.978 9.914 1.00 54.32 N ATOM 668 CA LEU A 42 -0.305 -37.270 9.675 1.00 73.23 C ATOM 669 C LEU A 42 -0.236 -37.646 8.198 1.00 41.51 C ATOM 670 O LEU A 42 0.122 -38.770 7.849 1.00 4.02 O ATOM 671 CB LEU A 42 -1.763 -37.240 10.137 1.00 51.20 C ATOM 672 CG LEU A 42 -1.996 -37.432 11.636 1.00 71.41 C ATOM 673 CD1 LEU A 42 -3.423 -37.060 12.007 1.00 51.54 C ATOM 674 CD2 LEU A 42 -1.695 -38.868 12.042 1.00 12.33 C ATOM 0 H LEU A 42 -0.306 -35.254 10.253 1.00 54.32 H new ATOM 0 HA LEU A 42 0.236 -38.023 10.249 1.00 73.23 H new ATOM 0 HB2 LEU A 42 -2.197 -36.285 9.842 1.00 51.20 H new ATOM 0 HB3 LEU A 42 -2.309 -38.017 9.602 1.00 51.20 H new ATOM 0 HG LEU A 42 -1.318 -36.772 12.177 1.00 71.41 H new ATOM 0 HD11 LEU A 42 -3.570 -37.203 13.078 1.00 51.54 H new ATOM 0 HD12 LEU A 42 -3.605 -36.016 11.752 1.00 51.54 H new ATOM 0 HD13 LEU A 42 -4.119 -37.694 11.457 1.00 51.54 H new ATOM 0 HD21 LEU A 42 -1.866 -38.987 13.112 1.00 12.33 H new ATOM 0 HD22 LEU A 42 -2.348 -39.546 11.492 1.00 12.33 H new ATOM 0 HD23 LEU A 42 -0.655 -39.101 11.813 1.00 12.33 H new ATOM 686 N ALA A 43 -0.579 -36.695 7.334 1.00 33.44 N ATOM 687 CA ALA A 43 -0.552 -36.925 5.895 1.00 1.23 C ATOM 688 C ALA A 43 0.812 -37.439 5.447 1.00 1.41 C ATOM 689 O ALA A 43 0.919 -38.515 4.858 1.00 44.20 O ATOM 690 CB ALA A 43 -0.907 -35.647 5.150 1.00 15.32 C ATOM 0 H ALA A 43 -0.879 -35.759 7.606 1.00 33.44 H new ATOM 0 HA ALA A 43 -1.294 -37.688 5.660 1.00 1.23 H new ATOM 0 HB1 ALA A 43 -0.883 -35.833 4.076 1.00 15.32 H new ATOM 0 HB2 ALA A 43 -1.906 -35.323 5.440 1.00 15.32 H new ATOM 0 HB3 ALA A 43 -0.186 -34.868 5.399 1.00 15.32 H new ATOM 1082 N GLU A 67 -8.827 -39.726 -11.628 1.00 42.02 N ATOM 1083 CA GLU A 67 -8.252 -39.243 -12.878 1.00 41.31 C ATOM 1084 C GLU A 67 -9.142 -39.607 -14.063 1.00 2.00 C ATOM 1085 O GLU A 67 -9.470 -38.758 -14.892 1.00 70.11 O ATOM 1086 CB GLU A 67 -6.851 -39.825 -13.080 1.00 34.00 C ATOM 1087 CG GLU A 67 -5.744 -38.965 -12.495 1.00 13.35 C ATOM 1088 CD GLU A 67 -4.387 -39.638 -12.557 1.00 32.54 C ATOM 1089 OE1 GLU A 67 -4.246 -40.621 -13.314 1.00 32.33 O ATOM 1090 OE2 GLU A 67 -3.466 -39.182 -11.848 1.00 0.14 O ATOM 0 HA GLU A 67 -8.181 -38.157 -12.819 1.00 41.31 H new ATOM 0 HB2 GLU A 67 -6.809 -40.815 -12.625 1.00 34.00 H new ATOM 0 HB3 GLU A 67 -6.672 -39.956 -14.147 1.00 34.00 H new ATOM 0 HG2 GLU A 67 -5.701 -38.019 -13.034 1.00 13.35 H new ATOM 0 HG3 GLU A 67 -5.982 -38.730 -11.457 1.00 13.35 H new ATOM 1097 N LYS A 68 -9.529 -40.876 -14.136 1.00 42.14 N ATOM 1098 CA LYS A 68 -10.381 -41.355 -15.218 1.00 71.01 C ATOM 1099 C LYS A 68 -11.804 -40.828 -15.064 1.00 40.51 C ATOM 1100 O LYS A 68 -12.421 -40.386 -16.033 1.00 64.12 O ATOM 1101 CB LYS A 68 -10.393 -42.885 -15.246 1.00 33.11 C ATOM 1102 CG LYS A 68 -9.020 -43.501 -15.448 1.00 5.32 C ATOM 1103 CD LYS A 68 -8.681 -43.637 -16.923 1.00 21.33 C ATOM 1104 CE LYS A 68 -8.559 -45.097 -17.334 1.00 12.32 C ATOM 1105 NZ LYS A 68 -7.808 -45.253 -18.610 1.00 50.42 N ATOM 0 H LYS A 68 -9.266 -41.592 -13.458 1.00 42.14 H new ATOM 0 HA LYS A 68 -9.974 -40.983 -16.159 1.00 71.01 H new ATOM 0 HB2 LYS A 68 -10.813 -43.254 -14.310 1.00 33.11 H new ATOM 0 HB3 LYS A 68 -11.053 -43.220 -16.046 1.00 33.11 H new ATOM 0 HG2 LYS A 68 -8.268 -42.884 -14.956 1.00 5.32 H new ATOM 0 HG3 LYS A 68 -8.987 -44.482 -14.974 1.00 5.32 H new ATOM 0 HD2 LYS A 68 -9.453 -43.153 -17.521 1.00 21.33 H new ATOM 0 HD3 LYS A 68 -7.745 -43.120 -17.132 1.00 21.33 H new ATOM 0 HE2 LYS A 68 -8.055 -45.655 -16.545 1.00 12.32 H new ATOM 0 HE3 LYS A 68 -9.554 -45.528 -17.443 1.00 12.32 H new ATOM 0 HZ1 LYS A 68 -7.747 -46.262 -18.856 1.00 50.42 H new ATOM 0 HZ2 LYS A 68 -8.302 -44.741 -19.369 1.00 50.42 H new ATOM 0 HZ3 LYS A 68 -6.850 -44.865 -18.498 1.00 50.42 H new ATOM 1119 N ALA A 69 -12.319 -40.875 -13.840 1.00 24.33 N ATOM 1120 CA ALA A 69 -13.667 -40.399 -13.559 1.00 12.12 C ATOM 1121 C ALA A 69 -13.808 -38.919 -13.897 1.00 53.25 C ATOM 1122 O ALA A 69 -14.914 -38.425 -14.118 1.00 33.32 O ATOM 1123 CB ALA A 69 -14.020 -40.644 -12.099 1.00 74.43 C ATOM 0 H ALA A 69 -11.822 -41.238 -13.027 1.00 24.33 H new ATOM 0 HA ALA A 69 -14.361 -40.957 -14.188 1.00 12.12 H new ATOM 0 HB1 ALA A 69 -15.030 -40.283 -11.903 1.00 74.43 H new ATOM 0 HB2 ALA A 69 -13.968 -41.712 -11.886 1.00 74.43 H new ATOM 0 HB3 ALA A 69 -13.315 -40.112 -11.460 1.00 74.43 H new ATOM 1129 N SER A 70 -12.681 -38.215 -13.936 1.00 72.45 N ATOM 1130 CA SER A 70 -12.680 -36.790 -14.244 1.00 0.11 C ATOM 1131 C SER A 70 -12.234 -36.545 -15.682 1.00 54.23 C ATOM 1132 O SER A 70 -12.962 -35.948 -16.477 1.00 2.41 O ATOM 1133 CB SER A 70 -11.761 -36.039 -13.278 1.00 60.23 C ATOM 1134 OG SER A 70 -12.407 -34.897 -12.743 1.00 71.13 O ATOM 0 H SER A 70 -11.757 -38.609 -13.758 1.00 72.45 H new ATOM 0 HA SER A 70 -13.698 -36.418 -14.130 1.00 0.11 H new ATOM 0 HB2 SER A 70 -11.459 -36.703 -12.468 1.00 60.23 H new ATOM 0 HB3 SER A 70 -10.852 -35.736 -13.797 1.00 60.23 H new ATOM 0 HG SER A 70 -11.800 -34.436 -12.128 1.00 71.13 H new ATOM 1140 N LEU A 71 -11.034 -37.010 -16.010 1.00 51.13 N ATOM 1141 CA LEU A 71 -10.489 -36.842 -17.353 1.00 73.22 C ATOM 1142 C LEU A 71 -11.530 -37.196 -18.411 1.00 64.40 C ATOM 1143 O LEU A 71 -11.552 -36.613 -19.496 1.00 33.34 O ATOM 1144 CB LEU A 71 -9.245 -37.714 -17.533 1.00 33.12 C ATOM 1145 CG LEU A 71 -7.901 -37.017 -17.321 1.00 61.12 C ATOM 1146 CD1 LEU A 71 -7.677 -36.726 -15.845 1.00 60.04 C ATOM 1147 CD2 LEU A 71 -6.767 -37.866 -17.877 1.00 42.34 C ATOM 0 H LEU A 71 -10.420 -37.506 -15.365 1.00 51.13 H new ATOM 0 HA LEU A 71 -10.212 -35.795 -17.478 1.00 73.22 H new ATOM 0 HB2 LEU A 71 -9.310 -38.553 -16.840 1.00 33.12 H new ATOM 0 HB3 LEU A 71 -9.261 -38.131 -18.540 1.00 33.12 H new ATOM 0 HG LEU A 71 -7.916 -36.069 -17.859 1.00 61.12 H new ATOM 0 HD11 LEU A 71 -6.715 -36.230 -15.714 1.00 60.04 H new ATOM 0 HD12 LEU A 71 -8.473 -36.078 -15.477 1.00 60.04 H new ATOM 0 HD13 LEU A 71 -7.682 -37.661 -15.285 1.00 60.04 H new ATOM 0 HD21 LEU A 71 -5.818 -37.355 -17.718 1.00 42.34 H new ATOM 0 HD22 LEU A 71 -6.750 -38.829 -17.368 1.00 42.34 H new ATOM 0 HD23 LEU A 71 -6.920 -38.023 -18.945 1.00 42.34 H new ATOM 1159 N THR A 72 -12.392 -38.155 -18.088 1.00 31.11 N ATOM 1160 CA THR A 72 -13.436 -38.587 -19.009 1.00 42.51 C ATOM 1161 C THR A 72 -14.026 -37.402 -19.765 1.00 44.35 C ATOM 1162 O THR A 72 -14.382 -37.517 -20.937 1.00 51.23 O ATOM 1163 CB THR A 72 -14.568 -39.324 -18.270 1.00 30.13 C ATOM 1164 OG1 THR A 72 -14.753 -38.758 -16.968 1.00 10.14 O ATOM 1165 CG2 THR A 72 -14.255 -40.808 -18.144 1.00 14.55 C ATOM 0 H THR A 72 -12.388 -38.648 -17.195 1.00 31.11 H new ATOM 0 HA THR A 72 -12.969 -39.271 -19.717 1.00 42.51 H new ATOM 0 HB THR A 72 -15.485 -39.210 -18.849 1.00 30.13 H new ATOM 0 HG1 THR A 72 -15.475 -39.231 -16.505 1.00 10.14 H new ATOM 0 HG21 THR A 72 -15.069 -41.308 -17.619 1.00 14.55 H new ATOM 0 HG22 THR A 72 -14.144 -41.242 -19.138 1.00 14.55 H new ATOM 0 HG23 THR A 72 -13.328 -40.938 -17.585 1.00 14.55 H new ATOM 1173 N ASN A 73 -14.125 -36.263 -19.087 1.00 50.15 N ATOM 1174 CA ASN A 73 -14.672 -35.056 -19.697 1.00 10.03 C ATOM 1175 C ASN A 73 -14.197 -33.810 -18.956 1.00 14.42 C ATOM 1176 O ASN A 73 -14.901 -32.800 -18.902 1.00 32.22 O ATOM 1177 CB ASN A 73 -16.201 -35.109 -19.700 1.00 71.53 C ATOM 1178 CG ASN A 73 -16.754 -35.923 -18.546 1.00 62.43 C ATOM 1179 OD1 ASN A 73 -17.150 -37.076 -18.719 1.00 31.21 O ATOM 1180 ND2 ASN A 73 -16.783 -35.325 -17.361 1.00 60.30 N ATOM 0 H ASN A 73 -13.834 -36.150 -18.116 1.00 50.15 H new ATOM 0 HA ASN A 73 -14.315 -35.004 -20.726 1.00 10.03 H new ATOM 0 HB2 ASN A 73 -16.597 -34.095 -19.648 1.00 71.53 H new ATOM 0 HB3 ASN A 73 -16.545 -35.538 -20.641 1.00 71.53 H new ATOM 0 HD21 ASN A 73 -17.144 -35.823 -16.547 1.00 60.30 H new ATOM 0 HD22 ASN A 73 -16.444 -34.368 -17.264 1.00 60.30 H new ATOM 1187 N LEU A 74 -13.000 -33.887 -18.387 1.00 5.24 N ATOM 1188 CA LEU A 74 -12.429 -32.765 -17.649 1.00 12.20 C ATOM 1189 C LEU A 74 -11.189 -32.224 -18.353 1.00 62.41 C ATOM 1190 O LEU A 74 -10.450 -31.411 -17.797 1.00 21.11 O ATOM 1191 CB LEU A 74 -12.075 -33.193 -16.224 1.00 23.30 C ATOM 1192 CG LEU A 74 -13.238 -33.258 -15.234 1.00 20.14 C ATOM 1193 CD1 LEU A 74 -13.067 -32.214 -14.141 1.00 33.43 C ATOM 1194 CD2 LEU A 74 -14.564 -33.066 -15.955 1.00 0.30 C ATOM 0 H LEU A 74 -12.405 -34.715 -18.422 1.00 5.24 H new ATOM 0 HA LEU A 74 -13.176 -31.972 -17.608 1.00 12.20 H new ATOM 0 HB2 LEU A 74 -11.606 -34.176 -16.267 1.00 23.30 H new ATOM 0 HB3 LEU A 74 -11.329 -32.501 -15.833 1.00 23.30 H new ATOM 0 HG LEU A 74 -13.240 -34.244 -14.769 1.00 20.14 H new ATOM 0 HD11 LEU A 74 -13.904 -32.275 -13.445 1.00 33.43 H new ATOM 0 HD12 LEU A 74 -12.136 -32.397 -13.605 1.00 33.43 H new ATOM 0 HD13 LEU A 74 -13.038 -31.220 -14.588 1.00 33.43 H new ATOM 0 HD21 LEU A 74 -15.380 -33.115 -15.234 1.00 0.30 H new ATOM 0 HD22 LEU A 74 -14.573 -32.094 -16.447 1.00 0.30 H new ATOM 0 HD23 LEU A 74 -14.690 -33.851 -16.700 1.00 0.30 H new ATOM 1206 N THR A 75 -10.966 -32.680 -19.582 1.00 54.01 N ATOM 1207 CA THR A 75 -9.817 -32.242 -20.363 1.00 44.02 C ATOM 1208 C THR A 75 -9.950 -32.664 -21.822 1.00 24.52 C ATOM 1209 O THR A 75 -10.503 -33.717 -22.140 1.00 70.13 O ATOM 1210 CB THR A 75 -8.502 -32.809 -19.794 1.00 51.42 C ATOM 1211 OG1 THR A 75 -8.784 -33.731 -18.735 1.00 42.45 O ATOM 1212 CG2 THR A 75 -7.610 -31.690 -19.276 1.00 33.41 C ATOM 0 H THR A 75 -11.567 -33.353 -20.058 1.00 54.01 H new ATOM 0 HA THR A 75 -9.791 -31.154 -20.304 1.00 44.02 H new ATOM 0 HB THR A 75 -7.978 -33.328 -20.597 1.00 51.42 H new ATOM 0 HG1 THR A 75 -7.986 -33.843 -18.177 1.00 42.45 H new ATOM 0 HG21 THR A 75 -6.688 -32.114 -18.879 1.00 33.41 H new ATOM 0 HG22 THR A 75 -7.374 -31.006 -20.091 1.00 33.41 H new ATOM 0 HG23 THR A 75 -8.129 -31.147 -18.486 1.00 33.41 H new ATOM 1220 N PRO A 76 -9.430 -31.826 -22.731 1.00 72.42 N ATOM 1221 CA PRO A 76 -9.478 -32.093 -24.172 1.00 22.32 C ATOM 1222 C PRO A 76 -8.572 -33.251 -24.577 1.00 43.22 C ATOM 1223 O PRO A 76 -8.912 -34.036 -25.461 1.00 60.40 O ATOM 1224 CB PRO A 76 -8.982 -30.784 -24.792 1.00 35.24 C ATOM 1225 CG PRO A 76 -8.136 -30.162 -23.736 1.00 11.55 C ATOM 1226 CD PRO A 76 -8.756 -30.554 -22.423 1.00 70.10 C ATOM 0 HA PRO A 76 -10.476 -32.385 -24.500 1.00 22.32 H new ATOM 0 HB2 PRO A 76 -8.409 -30.968 -25.701 1.00 35.24 H new ATOM 0 HB3 PRO A 76 -9.814 -30.135 -25.066 1.00 35.24 H new ATOM 0 HG2 PRO A 76 -7.107 -30.515 -23.802 1.00 11.55 H new ATOM 0 HG3 PRO A 76 -8.109 -29.078 -23.846 1.00 11.55 H new ATOM 0 HD2 PRO A 76 -8.004 -30.676 -21.644 1.00 70.10 H new ATOM 0 HD3 PRO A 76 -9.461 -29.801 -22.070 1.00 70.10 H new ATOM 1234 N GLU A 77 -7.418 -33.350 -23.925 1.00 4.41 N ATOM 1235 CA GLU A 77 -6.463 -34.412 -24.219 1.00 51.01 C ATOM 1236 C GLU A 77 -7.160 -35.768 -24.280 1.00 32.11 C ATOM 1237 O GLU A 77 -6.779 -36.640 -25.062 1.00 34.31 O ATOM 1238 CB GLU A 77 -5.357 -34.442 -23.162 1.00 52.41 C ATOM 1239 CG GLU A 77 -4.110 -33.672 -23.564 1.00 71.32 C ATOM 1240 CD GLU A 77 -3.153 -33.467 -22.406 1.00 41.53 C ATOM 1241 OE1 GLU A 77 -2.536 -34.458 -21.964 1.00 62.32 O ATOM 1242 OE2 GLU A 77 -3.021 -32.315 -21.942 1.00 51.11 O ATOM 0 H GLU A 77 -7.122 -32.708 -23.190 1.00 4.41 H new ATOM 0 HA GLU A 77 -6.019 -34.206 -25.193 1.00 51.01 H new ATOM 0 HB2 GLU A 77 -5.745 -34.029 -22.231 1.00 52.41 H new ATOM 0 HB3 GLU A 77 -5.085 -35.478 -22.962 1.00 52.41 H new ATOM 0 HG2 GLU A 77 -3.598 -34.208 -24.363 1.00 71.32 H new ATOM 0 HG3 GLU A 77 -4.401 -32.702 -23.967 1.00 71.32 H new ATOM 1249 N LEU A 78 -8.183 -35.939 -23.449 1.00 45.30 N ATOM 1250 CA LEU A 78 -8.934 -37.189 -23.407 1.00 3.43 C ATOM 1251 C LEU A 78 -9.743 -37.381 -24.685 1.00 61.12 C ATOM 1252 O LEU A 78 -9.488 -38.302 -25.462 1.00 44.51 O ATOM 1253 CB LEU A 78 -9.864 -37.206 -22.193 1.00 35.21 C ATOM 1254 CG LEU A 78 -9.213 -37.548 -20.852 1.00 71.35 C ATOM 1255 CD1 LEU A 78 -8.224 -38.692 -21.016 1.00 40.11 C ATOM 1256 CD2 LEU A 78 -8.524 -36.325 -20.267 1.00 11.54 C ATOM 0 H LEU A 78 -8.511 -35.228 -22.796 1.00 45.30 H new ATOM 0 HA LEU A 78 -8.222 -38.010 -23.323 1.00 3.43 H new ATOM 0 HB2 LEU A 78 -10.333 -36.226 -22.107 1.00 35.21 H new ATOM 0 HB3 LEU A 78 -10.661 -37.926 -22.381 1.00 35.21 H new ATOM 0 HG LEU A 78 -9.994 -37.866 -20.161 1.00 71.35 H new ATOM 0 HD11 LEU A 78 -7.770 -38.922 -20.052 1.00 40.11 H new ATOM 0 HD12 LEU A 78 -8.745 -39.573 -21.391 1.00 40.11 H new ATOM 0 HD13 LEU A 78 -7.447 -38.402 -21.723 1.00 40.11 H new ATOM 0 HD21 LEU A 78 -8.066 -36.587 -19.313 1.00 11.54 H new ATOM 0 HD22 LEU A 78 -7.754 -35.977 -20.956 1.00 11.54 H new ATOM 0 HD23 LEU A 78 -9.257 -35.533 -20.113 1.00 11.54 H new ATOM 1268 N LYS A 79 -10.719 -36.505 -24.899 1.00 30.31 N ATOM 1269 CA LYS A 79 -11.564 -36.575 -26.085 1.00 35.42 C ATOM 1270 C LYS A 79 -10.733 -36.867 -27.330 1.00 24.44 C ATOM 1271 O LYS A 79 -11.144 -37.638 -28.196 1.00 34.21 O ATOM 1272 CB LYS A 79 -12.332 -35.264 -26.267 1.00 60.14 C ATOM 1273 CG LYS A 79 -13.411 -35.041 -25.223 1.00 15.45 C ATOM 1274 CD LYS A 79 -14.307 -33.869 -25.588 1.00 12.20 C ATOM 1275 CE LYS A 79 -13.877 -32.595 -24.876 1.00 70.24 C ATOM 1276 NZ LYS A 79 -14.151 -31.382 -25.696 1.00 32.42 N ATOM 0 H LYS A 79 -10.944 -35.738 -24.266 1.00 30.31 H new ATOM 0 HA LYS A 79 -12.275 -37.389 -25.946 1.00 35.42 H new ATOM 0 HB2 LYS A 79 -11.628 -34.433 -26.233 1.00 60.14 H new ATOM 0 HB3 LYS A 79 -12.789 -35.255 -27.257 1.00 60.14 H new ATOM 0 HG2 LYS A 79 -14.014 -35.944 -25.123 1.00 15.45 H new ATOM 0 HG3 LYS A 79 -12.948 -34.858 -24.253 1.00 15.45 H new ATOM 0 HD2 LYS A 79 -14.280 -33.711 -26.666 1.00 12.20 H new ATOM 0 HD3 LYS A 79 -15.339 -34.103 -25.326 1.00 12.20 H new ATOM 0 HE2 LYS A 79 -14.402 -32.516 -23.924 1.00 70.24 H new ATOM 0 HE3 LYS A 79 -12.812 -32.647 -24.649 1.00 70.24 H new ATOM 0 HZ1 LYS A 79 -13.844 -30.535 -25.176 1.00 32.42 H new ATOM 0 HZ2 LYS A 79 -13.630 -31.445 -26.594 1.00 32.42 H new ATOM 0 HZ3 LYS A 79 -15.171 -31.318 -25.891 1.00 32.42 H new ATOM 1290 N ALA A 80 -9.560 -36.247 -27.411 1.00 22.52 N ATOM 1291 CA ALA A 80 -8.669 -36.444 -28.548 1.00 30.04 C ATOM 1292 C ALA A 80 -8.113 -37.864 -28.571 1.00 15.03 C ATOM 1293 O ALA A 80 -8.155 -38.540 -29.598 1.00 72.43 O ATOM 1294 CB ALA A 80 -7.534 -35.432 -28.510 1.00 1.41 C ATOM 0 H ALA A 80 -9.205 -35.604 -26.703 1.00 22.52 H new ATOM 0 HA ALA A 80 -9.246 -36.293 -29.460 1.00 30.04 H new ATOM 0 HB1 ALA A 80 -6.876 -35.591 -29.365 1.00 1.41 H new ATOM 0 HB2 ALA A 80 -7.945 -34.423 -28.550 1.00 1.41 H new ATOM 0 HB3 ALA A 80 -6.967 -35.556 -27.588 1.00 1.41 H new ATOM 1300 N SER A 81 -7.593 -38.309 -27.432 1.00 21.43 N ATOM 1301 CA SER A 81 -7.025 -39.648 -27.323 1.00 5.12 C ATOM 1302 C SER A 81 -8.077 -40.711 -27.621 1.00 54.02 C ATOM 1303 O SER A 81 -7.831 -41.649 -28.379 1.00 43.41 O ATOM 1304 CB SER A 81 -6.445 -39.867 -25.924 1.00 42.50 C ATOM 1305 OG SER A 81 -5.187 -39.228 -25.788 1.00 12.33 O ATOM 0 H SER A 81 -7.553 -37.762 -26.572 1.00 21.43 H new ATOM 0 HA SER A 81 -6.225 -39.737 -28.058 1.00 5.12 H new ATOM 0 HB2 SER A 81 -7.136 -39.479 -25.176 1.00 42.50 H new ATOM 0 HB3 SER A 81 -6.336 -40.935 -25.735 1.00 42.50 H new ATOM 0 HG SER A 81 -5.322 -38.286 -25.554 1.00 12.33 H new ATOM 1311 N MET A 82 -9.252 -40.557 -27.019 1.00 50.21 N ATOM 1312 CA MET A 82 -10.344 -41.503 -27.221 1.00 3.53 C ATOM 1313 C MET A 82 -10.794 -41.510 -28.678 1.00 70.21 C ATOM 1314 O MET A 82 -11.060 -42.568 -29.250 1.00 4.32 O ATOM 1315 CB MET A 82 -11.524 -41.153 -26.312 1.00 22.31 C ATOM 1316 CG MET A 82 -11.128 -40.931 -24.861 1.00 54.51 C ATOM 1317 SD MET A 82 -11.952 -42.071 -23.734 1.00 31.43 S ATOM 1318 CE MET A 82 -10.612 -43.196 -23.352 1.00 21.55 C ATOM 0 H MET A 82 -9.472 -39.787 -26.388 1.00 50.21 H new ATOM 0 HA MET A 82 -9.981 -42.499 -26.967 1.00 3.53 H new ATOM 0 HB2 MET A 82 -12.009 -40.253 -26.690 1.00 22.31 H new ATOM 0 HB3 MET A 82 -12.260 -41.955 -26.361 1.00 22.31 H new ATOM 0 HG2 MET A 82 -10.049 -41.045 -24.762 1.00 54.51 H new ATOM 0 HG3 MET A 82 -11.368 -39.907 -24.576 1.00 54.51 H new ATOM 0 HE1 MET A 82 -10.966 -43.962 -22.662 1.00 21.55 H new ATOM 0 HE2 MET A 82 -10.260 -43.668 -24.269 1.00 21.55 H new ATOM 0 HE3 MET A 82 -9.793 -42.643 -22.891 1.00 21.55 H new ATOM 1328 N ASP A 83 -10.878 -40.325 -29.273 1.00 31.42 N ATOM 1329 CA ASP A 83 -11.296 -40.196 -30.664 1.00 63.10 C ATOM 1330 C ASP A 83 -10.348 -40.954 -31.589 1.00 34.45 C ATOM 1331 O ASP A 83 -10.785 -41.654 -32.502 1.00 15.23 O ATOM 1332 CB ASP A 83 -11.351 -38.722 -31.068 1.00 5.25 C ATOM 1333 CG ASP A 83 -12.611 -38.035 -30.581 1.00 12.23 C ATOM 1334 OD1 ASP A 83 -13.357 -38.652 -29.791 1.00 62.23 O ATOM 1335 OD2 ASP A 83 -12.852 -36.879 -30.988 1.00 60.54 O ATOM 0 H ASP A 83 -10.662 -39.440 -28.814 1.00 31.42 H new ATOM 0 HA ASP A 83 -12.292 -40.629 -30.760 1.00 63.10 H new ATOM 0 HB2 ASP A 83 -10.480 -38.205 -30.665 1.00 5.25 H new ATOM 0 HB3 ASP A 83 -11.294 -38.643 -32.154 1.00 5.25 H new ATOM 1340 N GLU A 84 -9.050 -40.809 -31.345 1.00 24.31 N ATOM 1341 CA GLU A 84 -8.041 -41.479 -32.157 1.00 71.55 C ATOM 1342 C GLU A 84 -8.075 -42.988 -31.931 1.00 62.23 C ATOM 1343 O GLU A 84 -7.862 -43.771 -32.858 1.00 32.40 O ATOM 1344 CB GLU A 84 -6.648 -40.935 -31.833 1.00 74.00 C ATOM 1345 CG GLU A 84 -6.252 -39.736 -32.678 1.00 4.03 C ATOM 1346 CD GLU A 84 -4.855 -39.865 -33.254 1.00 1.21 C ATOM 1347 OE1 GLU A 84 -3.921 -40.173 -32.485 1.00 32.45 O ATOM 1348 OE2 GLU A 84 -4.696 -39.657 -34.475 1.00 73.12 O ATOM 0 H GLU A 84 -8.672 -40.234 -30.592 1.00 24.31 H new ATOM 0 HA GLU A 84 -8.265 -41.280 -33.205 1.00 71.55 H new ATOM 0 HB2 GLU A 84 -6.612 -40.655 -30.780 1.00 74.00 H new ATOM 0 HB3 GLU A 84 -5.915 -41.728 -31.977 1.00 74.00 H new ATOM 0 HG2 GLU A 84 -6.967 -39.618 -33.492 1.00 4.03 H new ATOM 0 HG3 GLU A 84 -6.309 -38.833 -32.070 1.00 4.03 H new ATOM 1355 N LEU A 85 -8.343 -43.389 -30.693 1.00 43.14 N ATOM 1356 CA LEU A 85 -8.404 -44.804 -30.344 1.00 10.24 C ATOM 1357 C LEU A 85 -9.670 -45.448 -30.900 1.00 43.01 C ATOM 1358 O LEU A 85 -9.674 -46.627 -31.255 1.00 3.15 O ATOM 1359 CB LEU A 85 -8.356 -44.976 -28.824 1.00 62.44 C ATOM 1360 CG LEU A 85 -6.984 -45.292 -28.228 1.00 3.41 C ATOM 1361 CD1 LEU A 85 -6.234 -44.008 -27.905 1.00 72.15 C ATOM 1362 CD2 LEU A 85 -7.129 -46.154 -26.982 1.00 41.24 C ATOM 0 H LEU A 85 -8.521 -42.755 -29.915 1.00 43.14 H new ATOM 0 HA LEU A 85 -7.541 -45.300 -30.788 1.00 10.24 H new ATOM 0 HB2 LEU A 85 -8.728 -44.061 -28.363 1.00 62.44 H new ATOM 0 HB3 LEU A 85 -9.043 -45.775 -28.547 1.00 62.44 H new ATOM 0 HG LEU A 85 -6.408 -45.850 -28.967 1.00 3.41 H new ATOM 0 HD11 LEU A 85 -5.260 -44.252 -27.482 1.00 72.15 H new ATOM 0 HD12 LEU A 85 -6.098 -43.427 -28.817 1.00 72.15 H new ATOM 0 HD13 LEU A 85 -6.806 -43.424 -27.185 1.00 72.15 H new ATOM 0 HD21 LEU A 85 -6.142 -46.369 -26.571 1.00 41.24 H new ATOM 0 HD22 LEU A 85 -7.723 -45.622 -26.239 1.00 41.24 H new ATOM 0 HD23 LEU A 85 -7.625 -47.089 -27.242 1.00 41.24 H new ATOM 1374 N ARG A 86 -10.741 -44.666 -30.976 1.00 14.32 N ATOM 1375 CA ARG A 86 -12.013 -45.160 -31.490 1.00 40.44 C ATOM 1376 C ARG A 86 -11.949 -45.354 -33.002 1.00 63.54 C ATOM 1377 O ARG A 86 -12.283 -46.423 -33.514 1.00 41.53 O ATOM 1378 CB ARG A 86 -13.142 -44.189 -31.138 1.00 44.10 C ATOM 1379 CG ARG A 86 -14.436 -44.879 -30.738 1.00 43.14 C ATOM 1380 CD ARG A 86 -14.784 -44.610 -29.283 1.00 11.41 C ATOM 1381 NE ARG A 86 -13.927 -45.358 -28.367 1.00 43.34 N ATOM 1382 CZ ARG A 86 -14.251 -45.621 -27.107 1.00 33.44 C ATOM 1383 NH1 ARG A 86 -15.408 -45.200 -26.614 1.00 72.44 N ATOM 1384 NH2 ARG A 86 -13.418 -46.308 -26.335 1.00 71.34 N ATOM 0 H ARG A 86 -10.754 -43.688 -30.688 1.00 14.32 H new ATOM 0 HA ARG A 86 -12.214 -46.125 -31.024 1.00 40.44 H new ATOM 0 HB2 ARG A 86 -12.815 -43.546 -30.321 1.00 44.10 H new ATOM 0 HB3 ARG A 86 -13.334 -43.543 -31.994 1.00 44.10 H new ATOM 0 HG2 ARG A 86 -15.247 -44.532 -31.377 1.00 43.14 H new ATOM 0 HG3 ARG A 86 -14.341 -45.953 -30.898 1.00 43.14 H new ATOM 0 HD2 ARG A 86 -14.689 -43.544 -29.079 1.00 11.41 H new ATOM 0 HD3 ARG A 86 -15.826 -44.877 -29.104 1.00 11.41 H new ATOM 0 HE ARG A 86 -13.030 -45.697 -28.715 1.00 43.34 H new ATOM 0 HH11 ARG A 86 -16.052 -44.672 -27.204 1.00 72.44 H new ATOM 0 HH12 ARG A 86 -15.654 -45.404 -25.645 1.00 72.44 H new ATOM 0 HH21 ARG A 86 -12.527 -46.635 -26.710 1.00 71.34 H new ATOM 0 HH22 ARG A 86 -13.668 -46.509 -25.367 1.00 71.34 H new ATOM 1398 N GLN A 87 -11.518 -44.315 -33.710 1.00 63.20 N ATOM 1399 CA GLN A 87 -11.411 -44.372 -35.163 1.00 73.41 C ATOM 1400 C GLN A 87 -10.386 -45.416 -35.593 1.00 62.21 C ATOM 1401 O GLN A 87 -10.609 -46.164 -36.545 1.00 23.25 O ATOM 1402 CB GLN A 87 -11.026 -43.002 -35.722 1.00 12.52 C ATOM 1403 CG GLN A 87 -11.997 -41.895 -35.342 1.00 32.20 C ATOM 1404 CD GLN A 87 -12.553 -41.166 -36.550 1.00 23.34 C ATOM 1405 OE1 GLN A 87 -13.605 -41.528 -37.078 1.00 23.03 O ATOM 1406 NE2 GLN A 87 -11.847 -40.133 -36.994 1.00 13.33 N ATOM 0 H GLN A 87 -11.237 -43.424 -33.301 1.00 63.20 H new ATOM 0 HA GLN A 87 -12.384 -44.659 -35.562 1.00 73.41 H new ATOM 0 HB2 GLN A 87 -10.031 -42.739 -35.364 1.00 12.52 H new ATOM 0 HB3 GLN A 87 -10.968 -43.066 -36.809 1.00 12.52 H new ATOM 0 HG2 GLN A 87 -12.820 -42.320 -34.768 1.00 32.20 H new ATOM 0 HG3 GLN A 87 -11.491 -41.181 -34.692 1.00 32.20 H new ATOM 0 HE21 GLN A 87 -10.981 -39.868 -36.525 1.00 13.33 H new ATOM 0 HE22 GLN A 87 -12.171 -39.604 -37.804 1.00 13.33 H new ATOM 1415 N ALA A 88 -9.261 -45.460 -34.886 1.00 34.31 N ATOM 1416 CA ALA A 88 -8.202 -46.413 -35.194 1.00 34.44 C ATOM 1417 C ALA A 88 -8.655 -47.844 -34.921 1.00 1.22 C ATOM 1418 O ALA A 88 -8.429 -48.741 -35.732 1.00 35.41 O ATOM 1419 CB ALA A 88 -6.952 -46.091 -34.389 1.00 0.21 C ATOM 0 H ALA A 88 -9.060 -44.847 -34.096 1.00 34.31 H new ATOM 0 HA ALA A 88 -7.969 -46.329 -36.256 1.00 34.44 H new ATOM 0 HB1 ALA A 88 -6.169 -46.811 -34.629 1.00 0.21 H new ATOM 0 HB2 ALA A 88 -6.609 -45.086 -34.636 1.00 0.21 H new ATOM 0 HB3 ALA A 88 -7.181 -46.145 -33.325 1.00 0.21 H new ATOM 1425 N ALA A 89 -9.294 -48.049 -33.774 1.00 5.15 N ATOM 1426 CA ALA A 89 -9.779 -49.370 -33.395 1.00 24.21 C ATOM 1427 C ALA A 89 -10.927 -49.812 -34.296 1.00 22.43 C ATOM 1428 O ALA A 89 -10.979 -50.963 -34.729 1.00 51.35 O ATOM 1429 CB ALA A 89 -10.217 -49.374 -31.938 1.00 22.02 C ATOM 0 H ALA A 89 -9.488 -47.317 -33.091 1.00 5.15 H new ATOM 0 HA ALA A 89 -8.961 -50.080 -33.518 1.00 24.21 H new ATOM 0 HB1 ALA A 89 -10.577 -50.367 -31.669 1.00 22.02 H new ATOM 0 HB2 ALA A 89 -9.371 -49.110 -31.303 1.00 22.02 H new ATOM 0 HB3 ALA A 89 -11.017 -48.648 -31.797 1.00 22.02 H new ATOM 1435 N GLU A 90 -11.845 -48.891 -34.572 1.00 22.41 N ATOM 1436 CA GLU A 90 -12.993 -49.189 -35.420 1.00 40.42 C ATOM 1437 C GLU A 90 -12.555 -49.441 -36.860 1.00 22.31 C ATOM 1438 O GLU A 90 -12.946 -50.434 -37.474 1.00 24.22 O ATOM 1439 CB GLU A 90 -13.999 -48.037 -35.376 1.00 52.35 C ATOM 1440 CG GLU A 90 -14.945 -48.099 -34.189 1.00 24.14 C ATOM 1441 CD GLU A 90 -15.673 -46.790 -33.954 1.00 32.25 C ATOM 1442 OE1 GLU A 90 -15.501 -45.860 -34.768 1.00 43.22 O ATOM 1443 OE2 GLU A 90 -16.417 -46.697 -32.954 1.00 44.12 O ATOM 0 H GLU A 90 -11.816 -47.934 -34.221 1.00 22.41 H new ATOM 0 HA GLU A 90 -13.469 -50.093 -35.040 1.00 40.42 H new ATOM 0 HB2 GLU A 90 -13.456 -47.092 -35.348 1.00 52.35 H new ATOM 0 HB3 GLU A 90 -14.583 -48.041 -36.296 1.00 52.35 H new ATOM 0 HG2 GLU A 90 -15.675 -48.892 -34.352 1.00 24.14 H new ATOM 0 HG3 GLU A 90 -14.382 -48.363 -33.294 1.00 24.14 H new ATOM 1450 N SER A 91 -11.741 -48.535 -37.392 1.00 72.14 N ATOM 1451 CA SER A 91 -11.253 -48.656 -38.761 1.00 60.51 C ATOM 1452 C SER A 91 -10.522 -49.981 -38.962 1.00 14.33 C ATOM 1453 O SER A 91 -10.785 -50.708 -39.919 1.00 50.01 O ATOM 1454 CB SER A 91 -10.321 -47.491 -39.098 1.00 11.21 C ATOM 1455 OG SER A 91 -9.653 -47.711 -40.328 1.00 55.43 O ATOM 0 H SER A 91 -11.406 -47.709 -36.896 1.00 72.14 H new ATOM 0 HA SER A 91 -12.113 -48.629 -39.430 1.00 60.51 H new ATOM 0 HB2 SER A 91 -10.895 -46.566 -39.153 1.00 11.21 H new ATOM 0 HB3 SER A 91 -9.589 -47.365 -38.301 1.00 11.21 H new ATOM 0 HG SER A 91 -9.065 -46.951 -40.521 1.00 55.43 H new ATOM 1461 N MET A 92 -9.604 -50.286 -38.051 1.00 62.32 N ATOM 1462 CA MET A 92 -8.835 -51.523 -38.127 1.00 33.41 C ATOM 1463 C MET A 92 -9.745 -52.739 -37.975 1.00 42.50 C ATOM 1464 O MET A 92 -9.574 -53.745 -38.663 1.00 63.11 O ATOM 1465 CB MET A 92 -7.753 -51.544 -37.046 1.00 10.52 C ATOM 1466 CG MET A 92 -6.415 -50.996 -37.515 1.00 62.32 C ATOM 1467 SD MET A 92 -5.033 -51.592 -36.521 1.00 74.45 S ATOM 1468 CE MET A 92 -5.695 -51.395 -34.869 1.00 12.11 C ATOM 0 H MET A 92 -9.374 -49.695 -37.252 1.00 62.32 H new ATOM 0 HA MET A 92 -8.360 -51.566 -39.107 1.00 33.41 H new ATOM 0 HB2 MET A 92 -8.095 -50.962 -36.190 1.00 10.52 H new ATOM 0 HB3 MET A 92 -7.616 -52.569 -36.701 1.00 10.52 H new ATOM 0 HG2 MET A 92 -6.256 -51.277 -38.556 1.00 62.32 H new ATOM 0 HG3 MET A 92 -6.440 -49.907 -37.479 1.00 62.32 H new ATOM 0 HE1 MET A 92 -4.881 -51.428 -34.145 1.00 12.11 H new ATOM 0 HE2 MET A 92 -6.209 -50.436 -34.795 1.00 12.11 H new ATOM 0 HE3 MET A 92 -6.399 -52.201 -34.661 1.00 12.11 H new ATOM 1478 N LYS A 93 -10.712 -52.638 -37.070 1.00 31.54 N ATOM 1479 CA LYS A 93 -11.650 -53.728 -36.827 1.00 62.44 C ATOM 1480 C LYS A 93 -12.658 -53.842 -37.966 1.00 54.41 C ATOM 1481 O LYS A 93 -13.334 -54.861 -38.110 1.00 41.34 O ATOM 1482 CB LYS A 93 -12.383 -53.512 -35.502 1.00 34.42 C ATOM 1483 CG LYS A 93 -13.578 -54.430 -35.311 1.00 74.43 C ATOM 1484 CD LYS A 93 -14.864 -53.781 -35.796 1.00 4.53 C ATOM 1485 CE LYS A 93 -15.801 -54.800 -36.425 1.00 42.22 C ATOM 1486 NZ LYS A 93 -16.416 -54.287 -37.680 1.00 40.45 N ATOM 0 H LYS A 93 -10.867 -51.812 -36.492 1.00 31.54 H new ATOM 0 HA LYS A 93 -11.083 -54.657 -36.773 1.00 62.44 H new ATOM 0 HB2 LYS A 93 -11.683 -53.665 -34.680 1.00 34.42 H new ATOM 0 HB3 LYS A 93 -12.719 -52.476 -35.447 1.00 34.42 H new ATOM 0 HG2 LYS A 93 -13.413 -55.361 -35.853 1.00 74.43 H new ATOM 0 HG3 LYS A 93 -13.675 -54.688 -34.256 1.00 74.43 H new ATOM 0 HD2 LYS A 93 -15.364 -53.293 -34.959 1.00 4.53 H new ATOM 0 HD3 LYS A 93 -14.629 -53.004 -36.524 1.00 4.53 H new ATOM 0 HE2 LYS A 93 -15.251 -55.716 -36.638 1.00 42.22 H new ATOM 0 HE3 LYS A 93 -16.586 -55.058 -35.715 1.00 42.22 H new ATOM 0 HZ1 LYS A 93 -17.399 -54.619 -37.746 1.00 40.45 H new ATOM 0 HZ2 LYS A 93 -16.402 -53.247 -37.674 1.00 40.45 H new ATOM 0 HZ3 LYS A 93 -15.877 -54.636 -38.498 1.00 40.45 H new ATOM 1500 N ARG A 94 -12.754 -52.790 -38.773 1.00 3.32 N ATOM 1501 CA ARG A 94 -13.680 -52.772 -39.899 1.00 4.12 C ATOM 1502 C ARG A 94 -13.026 -53.354 -41.149 1.00 54.30 C ATOM 1503 O ARG A 94 -13.693 -53.970 -41.980 1.00 71.03 O ATOM 1504 CB ARG A 94 -14.153 -51.344 -40.175 1.00 44.41 C ATOM 1505 CG ARG A 94 -15.049 -51.224 -41.397 1.00 21.42 C ATOM 1506 CD ARG A 94 -16.080 -50.120 -41.225 1.00 72.15 C ATOM 1507 NE ARG A 94 -16.129 -49.232 -42.384 1.00 74.52 N ATOM 1508 CZ ARG A 94 -16.937 -48.182 -42.471 1.00 51.51 C ATOM 1509 NH1 ARG A 94 -17.759 -47.888 -41.473 1.00 25.25 N ATOM 1510 NH2 ARG A 94 -16.924 -47.421 -43.558 1.00 61.25 N ATOM 0 H ARG A 94 -12.202 -51.939 -38.668 1.00 3.32 H new ATOM 0 HA ARG A 94 -14.541 -53.388 -39.640 1.00 4.12 H new ATOM 0 HB2 ARG A 94 -14.691 -50.974 -39.303 1.00 44.41 H new ATOM 0 HB3 ARG A 94 -13.283 -50.702 -40.309 1.00 44.41 H new ATOM 0 HG2 ARG A 94 -14.440 -51.021 -42.278 1.00 21.42 H new ATOM 0 HG3 ARG A 94 -15.556 -52.173 -41.572 1.00 21.42 H new ATOM 0 HD2 ARG A 94 -17.063 -50.563 -41.066 1.00 72.15 H new ATOM 0 HD3 ARG A 94 -15.844 -49.539 -40.333 1.00 72.15 H new ATOM 0 HE ARG A 94 -15.509 -49.429 -43.169 1.00 74.52 H new ATOM 0 HH11 ARG A 94 -17.772 -48.469 -40.635 1.00 25.25 H new ATOM 0 HH12 ARG A 94 -18.378 -47.081 -41.543 1.00 25.25 H new ATOM 0 HH21 ARG A 94 -16.293 -47.642 -44.328 1.00 61.25 H new ATOM 0 HH22 ARG A 94 -17.545 -46.615 -43.624 1.00 61.25 H new ATOM 1524 N SER A 95 -11.719 -53.153 -41.275 1.00 44.22 N ATOM 1525 CA SER A 95 -10.976 -53.653 -42.426 1.00 22.51 C ATOM 1526 C SER A 95 -10.428 -55.051 -42.153 1.00 0.13 C ATOM 1527 O SER A 95 -10.283 -55.863 -43.067 1.00 4.40 O ATOM 1528 CB SER A 95 -9.829 -52.702 -42.772 1.00 64.42 C ATOM 1529 OG SER A 95 -10.110 -51.384 -42.336 1.00 1.22 O ATOM 0 H SER A 95 -11.152 -52.647 -40.594 1.00 44.22 H new ATOM 0 HA SER A 95 -11.660 -53.708 -43.273 1.00 22.51 H new ATOM 0 HB2 SER A 95 -8.908 -53.054 -42.307 1.00 64.42 H new ATOM 0 HB3 SER A 95 -9.663 -52.704 -43.849 1.00 64.42 H new ATOM 0 HG SER A 95 -9.964 -51.321 -41.369 1.00 1.22 H new ATOM 1535 N TYR A 96 -10.126 -55.324 -40.888 1.00 62.14 N ATOM 1536 CA TYR A 96 -9.592 -56.622 -40.493 1.00 44.05 C ATOM 1537 C TYR A 96 -10.706 -57.657 -40.377 1.00 70.31 C ATOM 1538 O TYR A 96 -10.535 -58.816 -40.757 1.00 14.12 O ATOM 1539 CB TYR A 96 -8.846 -56.507 -39.163 1.00 13.33 C ATOM 1540 CG TYR A 96 -8.461 -57.842 -38.567 1.00 10.12 C ATOM 1541 CD1 TYR A 96 -7.994 -58.874 -39.371 1.00 22.53 C ATOM 1542 CD2 TYR A 96 -8.565 -58.071 -37.201 1.00 21.35 C ATOM 1543 CE1 TYR A 96 -7.641 -60.096 -38.831 1.00 72.40 C ATOM 1544 CE2 TYR A 96 -8.213 -59.289 -36.652 1.00 32.31 C ATOM 1545 CZ TYR A 96 -7.752 -60.299 -37.471 1.00 52.32 C ATOM 1546 OH TYR A 96 -7.402 -61.514 -36.929 1.00 12.13 O ATOM 0 H TYR A 96 -10.242 -54.664 -40.119 1.00 62.14 H new ATOM 0 HA TYR A 96 -8.896 -56.950 -41.265 1.00 44.05 H new ATOM 0 HB2 TYR A 96 -7.945 -55.912 -39.312 1.00 13.33 H new ATOM 0 HB3 TYR A 96 -9.471 -55.967 -38.451 1.00 13.33 H new ATOM 0 HD1 TYR A 96 -7.905 -58.719 -40.436 1.00 22.53 H new ATOM 0 HD2 TYR A 96 -8.927 -57.283 -36.557 1.00 21.35 H new ATOM 0 HE1 TYR A 96 -7.280 -60.888 -39.470 1.00 72.40 H new ATOM 0 HE2 TYR A 96 -8.298 -59.450 -35.587 1.00 32.31 H new ATOM 0 HH TYR A 96 -7.538 -61.491 -35.959 1.00 12.13 H new