USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=10 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= -0.474 K(o=-0.47,f=-1.6) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 86:sc= 0.45 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0291 USER MOD Single : A 73 ASN : amide:sc= -0.646 K(o=-0.65,f=-0.0094) USER MOD Single : A 75 THR OG1 : rot -160:sc= -1.26 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 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 -78:sc= 0.0785 USER MOD Single : A 92 MET CE :methyl -162:sc= 0 (180deg=-0.6) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 87:sc= 1.26 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 215 N ILE A 14 -1.847 -5.431 17.989 1.00 23.24 N ATOM 216 CA ILE A 14 -2.491 -4.881 19.175 1.00 34.34 C ATOM 217 C ILE A 14 -4.004 -4.814 18.997 1.00 14.14 C ATOM 218 O ILE A 14 -4.759 -5.360 19.803 1.00 10.40 O ATOM 219 CB ILE A 14 -1.961 -3.473 19.503 1.00 40.14 C ATOM 220 CG1 ILE A 14 -0.473 -3.533 19.853 1.00 21.32 C ATOM 221 CG2 ILE A 14 -2.756 -2.860 20.646 1.00 23.21 C ATOM 222 CD1 ILE A 14 -0.188 -4.243 21.158 1.00 22.41 C ATOM 0 HA ILE A 14 -2.254 -5.550 20.002 1.00 34.34 H new ATOM 0 HB ILE A 14 -2.082 -2.841 18.623 1.00 40.14 H new ATOM 0 HG12 ILE A 14 0.061 -4.039 19.049 1.00 21.32 H new ATOM 0 HG13 ILE A 14 -0.079 -2.518 19.907 1.00 21.32 H new ATOM 0 HG21 ILE A 14 -2.369 -1.865 20.866 1.00 23.21 H new ATOM 0 HG22 ILE A 14 -3.805 -2.786 20.361 1.00 23.21 H new ATOM 0 HG23 ILE A 14 -2.664 -3.489 21.532 1.00 23.21 H new ATOM 0 HD11 ILE A 14 0.886 -4.248 21.342 1.00 22.41 H new ATOM 0 HD12 ILE A 14 -0.694 -3.724 21.972 1.00 22.41 H new ATOM 0 HD13 ILE A 14 -0.551 -5.269 21.101 1.00 22.41 H new ATOM 234 N ILE A 15 -4.440 -4.143 17.937 1.00 54.22 N ATOM 235 CA ILE A 15 -5.863 -4.007 17.651 1.00 13.15 C ATOM 236 C ILE A 15 -6.553 -5.367 17.635 1.00 50.21 C ATOM 237 O ILE A 15 -7.732 -5.481 17.969 1.00 5.00 O ATOM 238 CB ILE A 15 -6.102 -3.306 16.301 1.00 73.20 C ATOM 239 CG1 ILE A 15 -5.342 -1.979 16.249 1.00 72.34 C ATOM 240 CG2 ILE A 15 -7.590 -3.080 16.078 1.00 50.23 C ATOM 241 CD1 ILE A 15 -5.575 -1.101 17.458 1.00 74.10 C ATOM 0 H ILE A 15 -3.828 -3.685 17.262 1.00 54.22 H new ATOM 0 HA ILE A 15 -6.288 -3.396 18.448 1.00 13.15 H new ATOM 0 HB ILE A 15 -5.728 -3.948 15.503 1.00 73.20 H new ATOM 0 HG12 ILE A 15 -4.275 -2.184 16.159 1.00 72.34 H new ATOM 0 HG13 ILE A 15 -5.639 -1.435 15.352 1.00 72.34 H new ATOM 0 HG21 ILE A 15 -7.743 -2.584 15.120 1.00 50.23 H new ATOM 0 HG22 ILE A 15 -8.108 -4.039 16.077 1.00 50.23 H new ATOM 0 HG23 ILE A 15 -7.987 -2.455 16.878 1.00 50.23 H new ATOM 0 HD11 ILE A 15 -5.005 -0.178 17.352 1.00 74.10 H new ATOM 0 HD12 ILE A 15 -6.636 -0.865 17.537 1.00 74.10 H new ATOM 0 HD13 ILE A 15 -5.252 -1.626 18.357 1.00 74.10 H new ATOM 253 N GLY A 16 -5.809 -6.397 17.245 1.00 63.31 N ATOM 254 CA GLY A 16 -6.365 -7.737 17.194 1.00 43.33 C ATOM 255 C GLY A 16 -6.775 -8.247 18.561 1.00 42.10 C ATOM 256 O GLY A 16 -7.781 -8.945 18.695 1.00 23.05 O ATOM 0 H GLY A 16 -4.831 -6.328 16.963 1.00 63.31 H new ATOM 0 HA2 GLY A 16 -7.231 -7.743 16.533 1.00 43.33 H new ATOM 0 HA3 GLY A 16 -5.630 -8.416 16.762 1.00 43.33 H new ATOM 260 N LEU A 17 -5.994 -7.900 19.578 1.00 33.24 N ATOM 261 CA LEU A 17 -6.281 -8.329 20.943 1.00 25.11 C ATOM 262 C LEU A 17 -7.321 -7.422 21.592 1.00 75.32 C ATOM 263 O LEU A 17 -8.212 -7.890 22.302 1.00 64.21 O ATOM 264 CB LEU A 17 -4.998 -8.331 21.777 1.00 35.35 C ATOM 265 CG LEU A 17 -3.732 -8.799 21.060 1.00 4.02 C ATOM 266 CD1 LEU A 17 -2.537 -8.752 22.001 1.00 55.13 C ATOM 267 CD2 LEU A 17 -3.921 -10.203 20.505 1.00 24.21 C ATOM 0 H LEU A 17 -5.158 -7.323 19.484 1.00 33.24 H new ATOM 0 HA LEU A 17 -6.684 -9.341 20.903 1.00 25.11 H new ATOM 0 HB2 LEU A 17 -4.828 -7.320 22.148 1.00 35.35 H new ATOM 0 HB3 LEU A 17 -5.155 -8.968 22.647 1.00 35.35 H new ATOM 0 HG LEU A 17 -3.539 -8.124 20.227 1.00 4.02 H new ATOM 0 HD11 LEU A 17 -1.645 -9.089 21.473 1.00 55.13 H new ATOM 0 HD12 LEU A 17 -2.388 -7.730 22.350 1.00 55.13 H new ATOM 0 HD13 LEU A 17 -2.721 -9.404 22.855 1.00 55.13 H new ATOM 0 HD21 LEU A 17 -3.010 -10.520 19.998 1.00 24.21 H new ATOM 0 HD22 LEU A 17 -4.139 -10.891 21.322 1.00 24.21 H new ATOM 0 HD23 LEU A 17 -4.750 -10.206 19.797 1.00 24.21 H new ATOM 279 N VAL A 18 -7.205 -6.122 21.341 1.00 23.03 N ATOM 280 CA VAL A 18 -8.137 -5.149 21.898 1.00 33.40 C ATOM 281 C VAL A 18 -9.512 -5.273 21.251 1.00 70.33 C ATOM 282 O VAL A 18 -10.521 -4.868 21.828 1.00 30.32 O ATOM 283 CB VAL A 18 -7.623 -3.709 21.714 1.00 71.34 C ATOM 284 CG1 VAL A 18 -6.121 -3.645 21.945 1.00 12.34 C ATOM 285 CG2 VAL A 18 -7.980 -3.190 20.329 1.00 1.10 C ATOM 0 H VAL A 18 -6.474 -5.718 20.755 1.00 23.03 H new ATOM 0 HA VAL A 18 -8.219 -5.363 22.964 1.00 33.40 H new ATOM 0 HB VAL A 18 -8.108 -3.071 22.453 1.00 71.34 H new ATOM 0 HG11 VAL A 18 -5.776 -2.620 21.811 1.00 12.34 H new ATOM 0 HG12 VAL A 18 -5.894 -3.974 22.959 1.00 12.34 H new ATOM 0 HG13 VAL A 18 -5.615 -4.295 21.231 1.00 12.34 H new ATOM 0 HG21 VAL A 18 -7.609 -2.171 20.216 1.00 1.10 H new ATOM 0 HG22 VAL A 18 -7.524 -3.828 19.572 1.00 1.10 H new ATOM 0 HG23 VAL A 18 -9.063 -3.198 20.205 1.00 1.10 H new ATOM 295 N VAL A 19 -9.545 -5.837 20.047 1.00 2.41 N ATOM 296 CA VAL A 19 -10.796 -6.016 19.321 1.00 52.03 C ATOM 297 C VAL A 19 -11.346 -7.425 19.513 1.00 42.05 C ATOM 298 O VAL A 19 -12.497 -7.605 19.911 1.00 33.21 O ATOM 299 CB VAL A 19 -10.614 -5.748 17.815 1.00 74.21 C ATOM 300 CG1 VAL A 19 -11.858 -6.166 17.044 1.00 5.22 C ATOM 301 CG2 VAL A 19 -10.293 -4.282 17.570 1.00 43.30 C ATOM 0 H VAL A 19 -8.719 -6.178 19.555 1.00 2.41 H new ATOM 0 HA VAL A 19 -11.504 -5.294 19.728 1.00 52.03 H new ATOM 0 HB VAL A 19 -9.775 -6.345 17.456 1.00 74.21 H new ATOM 0 HG11 VAL A 19 -11.711 -5.969 15.982 1.00 5.22 H new ATOM 0 HG12 VAL A 19 -12.039 -7.230 17.194 1.00 5.22 H new ATOM 0 HG13 VAL A 19 -12.716 -5.598 17.403 1.00 5.22 H new ATOM 0 HG21 VAL A 19 -10.168 -4.111 16.501 1.00 43.30 H new ATOM 0 HG22 VAL A 19 -11.109 -3.663 17.943 1.00 43.30 H new ATOM 0 HG23 VAL A 19 -9.372 -4.019 18.090 1.00 43.30 H new ATOM 311 N LEU A 20 -10.515 -8.422 19.227 1.00 55.21 N ATOM 312 CA LEU A 20 -10.918 -9.817 19.368 1.00 4.14 C ATOM 313 C LEU A 20 -10.867 -10.253 20.829 1.00 10.23 C ATOM 314 O LEU A 20 -11.221 -11.383 21.163 1.00 1.32 O ATOM 315 CB LEU A 20 -10.014 -10.717 18.524 1.00 4.12 C ATOM 316 CG LEU A 20 -10.589 -12.082 18.147 1.00 74.31 C ATOM 317 CD1 LEU A 20 -12.059 -11.958 17.776 1.00 11.23 C ATOM 318 CD2 LEU A 20 -9.799 -12.696 17.001 1.00 63.31 C ATOM 0 H LEU A 20 -9.559 -8.290 18.896 1.00 55.21 H new ATOM 0 HA LEU A 20 -11.945 -9.911 19.015 1.00 4.14 H new ATOM 0 HB2 LEU A 20 -9.761 -10.186 17.606 1.00 4.12 H new ATOM 0 HB3 LEU A 20 -9.083 -10.875 19.068 1.00 4.12 H new ATOM 0 HG LEU A 20 -10.507 -12.740 19.012 1.00 74.31 H new ATOM 0 HD11 LEU A 20 -12.451 -12.940 17.510 1.00 11.23 H new ATOM 0 HD12 LEU A 20 -12.616 -11.562 18.625 1.00 11.23 H new ATOM 0 HD13 LEU A 20 -12.164 -11.283 16.926 1.00 11.23 H new ATOM 0 HD21 LEU A 20 -10.223 -13.667 16.746 1.00 63.31 H new ATOM 0 HD22 LEU A 20 -9.848 -12.040 16.132 1.00 63.31 H new ATOM 0 HD23 LEU A 20 -8.759 -12.822 17.302 1.00 63.31 H new ATOM 330 N GLY A 21 -10.426 -9.347 21.697 1.00 12.20 N ATOM 331 CA GLY A 21 -10.340 -9.656 23.112 1.00 5.13 C ATOM 332 C GLY A 21 -9.302 -10.719 23.411 1.00 24.40 C ATOM 333 O GLY A 21 -9.231 -11.753 22.745 1.00 11.24 O ATOM 0 H GLY A 21 -10.127 -8.405 21.445 1.00 12.20 H new ATOM 0 HA2 GLY A 21 -10.096 -8.749 23.665 1.00 5.13 H new ATOM 0 HA3 GLY A 21 -11.314 -9.993 23.467 1.00 5.13 H new ATOM 337 N PRO A 22 -8.470 -10.470 24.434 1.00 52.25 N ATOM 338 CA PRO A 22 -7.415 -11.402 24.841 1.00 1.15 C ATOM 339 C PRO A 22 -7.975 -12.669 25.478 1.00 31.13 C ATOM 340 O PRO A 22 -7.225 -13.572 25.847 1.00 61.30 O ATOM 341 CB PRO A 22 -6.610 -10.599 25.866 1.00 25.44 C ATOM 342 CG PRO A 22 -7.573 -9.600 26.407 1.00 32.21 C ATOM 343 CD PRO A 22 -8.497 -9.259 25.271 1.00 43.44 C ATOM 0 HA PRO A 22 -6.826 -11.748 23.992 1.00 1.15 H new ATOM 0 HB2 PRO A 22 -6.222 -11.242 26.656 1.00 25.44 H new ATOM 0 HB3 PRO A 22 -5.753 -10.111 25.402 1.00 25.44 H new ATOM 0 HG2 PRO A 22 -8.127 -10.010 27.251 1.00 32.21 H new ATOM 0 HG3 PRO A 22 -7.053 -8.712 26.767 1.00 32.21 H new ATOM 0 HD2 PRO A 22 -9.504 -9.037 25.625 1.00 43.44 H new ATOM 0 HD3 PRO A 22 -8.152 -8.383 24.722 1.00 43.44 H new ATOM 351 N GLN A 23 -9.297 -12.728 25.604 1.00 61.34 N ATOM 352 CA GLN A 23 -9.956 -13.886 26.196 1.00 14.25 C ATOM 353 C GLN A 23 -9.748 -15.130 25.339 1.00 42.41 C ATOM 354 O GLN A 23 -9.545 -16.227 25.859 1.00 73.01 O ATOM 355 CB GLN A 23 -11.452 -13.615 26.368 1.00 51.23 C ATOM 356 CG GLN A 23 -11.758 -12.256 26.977 1.00 75.20 C ATOM 357 CD GLN A 23 -10.900 -11.953 28.189 1.00 30.32 C ATOM 358 OE1 GLN A 23 -10.017 -11.096 28.141 1.00 71.34 O ATOM 359 NE2 GLN A 23 -11.155 -12.657 29.286 1.00 11.33 N ATOM 0 H GLN A 23 -9.932 -11.988 25.304 1.00 61.34 H new ATOM 0 HA GLN A 23 -9.511 -14.064 27.175 1.00 14.25 H new ATOM 0 HB2 GLN A 23 -11.940 -13.686 25.396 1.00 51.23 H new ATOM 0 HB3 GLN A 23 -11.883 -14.392 26.999 1.00 51.23 H new ATOM 0 HG2 GLN A 23 -11.604 -11.482 26.225 1.00 75.20 H new ATOM 0 HG3 GLN A 23 -12.809 -12.218 27.262 1.00 75.20 H new ATOM 0 HE21 GLN A 23 -11.896 -13.358 29.282 1.00 11.33 H new ATOM 0 HE22 GLN A 23 -10.610 -12.497 30.133 1.00 11.33 H new ATOM 368 N ARG A 24 -9.799 -14.951 24.023 1.00 11.51 N ATOM 369 CA ARG A 24 -9.617 -16.059 23.094 1.00 54.15 C ATOM 370 C ARG A 24 -8.658 -15.675 21.971 1.00 63.11 C ATOM 371 O ARG A 24 -8.956 -15.869 20.792 1.00 65.05 O ATOM 372 CB ARG A 24 -10.964 -16.485 22.505 1.00 44.42 C ATOM 373 CG ARG A 24 -11.872 -15.317 22.154 1.00 25.20 C ATOM 374 CD ARG A 24 -11.551 -14.756 20.777 1.00 30.34 C ATOM 375 NE ARG A 24 -12.503 -13.726 20.371 1.00 4.42 N ATOM 376 CZ ARG A 24 -13.768 -13.977 20.056 1.00 33.10 C ATOM 377 NH1 ARG A 24 -14.232 -15.218 20.100 1.00 20.44 N ATOM 378 NH2 ARG A 24 -14.573 -12.986 19.696 1.00 52.51 N ATOM 0 H ARG A 24 -9.965 -14.049 23.577 1.00 11.51 H new ATOM 0 HA ARG A 24 -9.188 -16.896 23.645 1.00 54.15 H new ATOM 0 HB2 ARG A 24 -10.787 -17.079 21.608 1.00 44.42 H new ATOM 0 HB3 ARG A 24 -11.476 -17.130 23.219 1.00 44.42 H new ATOM 0 HG2 ARG A 24 -12.912 -15.642 22.182 1.00 25.20 H new ATOM 0 HG3 ARG A 24 -11.763 -14.532 22.902 1.00 25.20 H new ATOM 0 HD2 ARG A 24 -10.544 -14.338 20.781 1.00 30.34 H new ATOM 0 HD3 ARG A 24 -11.557 -15.564 20.046 1.00 30.34 H new ATOM 0 HE ARG A 24 -12.178 -12.760 20.327 1.00 4.42 H new ATOM 0 HH11 ARG A 24 -13.617 -15.983 20.376 1.00 20.44 H new ATOM 0 HH12 ARG A 24 -15.204 -15.408 19.857 1.00 20.44 H new ATOM 0 HH21 ARG A 24 -14.220 -12.030 19.661 1.00 52.51 H new ATOM 0 HH22 ARG A 24 -15.545 -13.180 19.454 1.00 52.51 H new ATOM 392 N LEU A 25 -7.506 -15.130 22.345 1.00 2.42 N ATOM 393 CA LEU A 25 -6.502 -14.718 21.370 1.00 3.33 C ATOM 394 C LEU A 25 -5.821 -15.931 20.744 1.00 3.35 C ATOM 395 O LEU A 25 -5.771 -16.084 19.524 1.00 63.31 O ATOM 396 CB LEU A 25 -5.457 -13.818 22.033 1.00 15.13 C ATOM 397 CG LEU A 25 -4.187 -13.555 21.224 1.00 10.11 C ATOM 398 CD1 LEU A 25 -3.155 -14.642 21.482 1.00 74.23 C ATOM 399 CD2 LEU A 25 -4.509 -13.464 19.740 1.00 75.03 C ATOM 0 H LEU A 25 -7.244 -14.963 23.316 1.00 2.42 H new ATOM 0 HA LEU A 25 -7.006 -14.159 20.581 1.00 3.33 H new ATOM 0 HB2 LEU A 25 -5.924 -12.860 22.260 1.00 15.13 H new ATOM 0 HB3 LEU A 25 -5.171 -14.267 22.984 1.00 15.13 H new ATOM 0 HG LEU A 25 -3.767 -12.601 21.543 1.00 10.11 H new ATOM 0 HD11 LEU A 25 -2.258 -14.438 20.898 1.00 74.23 H new ATOM 0 HD12 LEU A 25 -2.902 -14.659 22.542 1.00 74.23 H new ATOM 0 HD13 LEU A 25 -3.565 -15.609 21.192 1.00 74.23 H new ATOM 0 HD21 LEU A 25 -3.593 -13.276 19.180 1.00 75.03 H new ATOM 0 HD22 LEU A 25 -4.953 -14.402 19.406 1.00 75.03 H new ATOM 0 HD23 LEU A 25 -5.212 -12.649 19.570 1.00 75.03 H new ATOM 411 N PRO A 26 -5.285 -16.815 21.599 1.00 60.12 N ATOM 412 CA PRO A 26 -4.600 -18.032 21.152 1.00 3.34 C ATOM 413 C PRO A 26 -5.561 -19.050 20.548 1.00 43.31 C ATOM 414 O PRO A 26 -5.139 -20.077 20.016 1.00 11.21 O ATOM 415 CB PRO A 26 -3.978 -18.581 22.439 1.00 75.21 C ATOM 416 CG PRO A 26 -4.836 -18.046 23.533 1.00 54.43 C ATOM 417 CD PRO A 26 -5.307 -16.696 23.066 1.00 15.13 C ATOM 0 HA PRO A 26 -3.874 -17.826 20.365 1.00 3.34 H new ATOM 0 HB2 PRO A 26 -3.969 -19.671 22.440 1.00 75.21 H new ATOM 0 HB3 PRO A 26 -2.944 -18.253 22.550 1.00 75.21 H new ATOM 0 HG2 PRO A 26 -5.680 -18.708 23.727 1.00 54.43 H new ATOM 0 HG3 PRO A 26 -4.275 -17.963 24.464 1.00 54.43 H new ATOM 0 HD2 PRO A 26 -6.307 -16.469 23.436 1.00 15.13 H new ATOM 0 HD3 PRO A 26 -4.650 -15.899 23.414 1.00 15.13 H new ATOM 425 N VAL A 27 -6.855 -18.758 20.632 1.00 2.15 N ATOM 426 CA VAL A 27 -7.876 -19.647 20.092 1.00 20.41 C ATOM 427 C VAL A 27 -7.769 -19.749 18.575 1.00 52.13 C ATOM 428 O VAL A 27 -7.774 -20.844 18.014 1.00 64.31 O ATOM 429 CB VAL A 27 -9.292 -19.169 20.465 1.00 4.13 C ATOM 430 CG1 VAL A 27 -10.342 -19.967 19.708 1.00 51.31 C ATOM 431 CG2 VAL A 27 -9.511 -19.274 21.967 1.00 25.30 C ATOM 0 H VAL A 27 -7.221 -17.912 21.069 1.00 2.15 H new ATOM 0 HA VAL A 27 -7.705 -20.629 20.532 1.00 20.41 H new ATOM 0 HB VAL A 27 -9.390 -18.122 20.179 1.00 4.13 H new ATOM 0 HG11 VAL A 27 -11.336 -19.615 19.985 1.00 51.31 H new ATOM 0 HG12 VAL A 27 -10.196 -19.836 18.636 1.00 51.31 H new ATOM 0 HG13 VAL A 27 -10.248 -21.023 19.960 1.00 51.31 H new ATOM 0 HG21 VAL A 27 -10.516 -18.932 22.213 1.00 25.30 H new ATOM 0 HG22 VAL A 27 -9.394 -20.311 22.280 1.00 25.30 H new ATOM 0 HG23 VAL A 27 -8.780 -18.654 22.486 1.00 25.30 H new ATOM 441 N ALA A 28 -7.673 -18.599 17.916 1.00 41.04 N ATOM 442 CA ALA A 28 -7.562 -18.558 16.463 1.00 73.23 C ATOM 443 C ALA A 28 -6.280 -19.235 15.991 1.00 41.34 C ATOM 444 O ALA A 28 -6.311 -20.116 15.131 1.00 2.15 O ATOM 445 CB ALA A 28 -7.615 -17.120 15.970 1.00 40.34 C ATOM 0 H ALA A 28 -7.670 -17.683 18.365 1.00 41.04 H new ATOM 0 HA ALA A 28 -8.406 -19.105 16.043 1.00 73.23 H new ATOM 0 HB1 ALA A 28 -7.531 -17.105 14.883 1.00 40.34 H new ATOM 0 HB2 ALA A 28 -8.561 -16.668 16.267 1.00 40.34 H new ATOM 0 HB3 ALA A 28 -6.791 -16.555 16.406 1.00 40.34 H new ATOM 451 N VAL A 29 -5.152 -18.816 16.557 1.00 74.30 N ATOM 452 CA VAL A 29 -3.859 -19.382 16.194 1.00 23.30 C ATOM 453 C VAL A 29 -3.860 -20.899 16.348 1.00 24.03 C ATOM 454 O VAL A 29 -3.546 -21.630 15.409 1.00 72.33 O ATOM 455 CB VAL A 29 -2.726 -18.791 17.054 1.00 50.52 C ATOM 456 CG1 VAL A 29 -1.371 -19.263 16.550 1.00 4.51 C ATOM 457 CG2 VAL A 29 -2.802 -17.271 17.061 1.00 23.24 C ATOM 0 H VAL A 29 -5.108 -18.087 17.269 1.00 74.30 H new ATOM 0 HA VAL A 29 -3.684 -19.126 15.149 1.00 23.30 H new ATOM 0 HB VAL A 29 -2.848 -19.144 18.078 1.00 50.52 H new ATOM 0 HG11 VAL A 29 -0.583 -18.835 17.170 1.00 4.51 H new ATOM 0 HG12 VAL A 29 -1.323 -20.351 16.601 1.00 4.51 H new ATOM 0 HG13 VAL A 29 -1.235 -18.942 15.517 1.00 4.51 H new ATOM 0 HG21 VAL A 29 -1.995 -16.869 17.673 1.00 23.24 H new ATOM 0 HG22 VAL A 29 -2.705 -16.897 16.042 1.00 23.24 H new ATOM 0 HG23 VAL A 29 -3.761 -16.957 17.473 1.00 23.24 H new ATOM 467 N LYS A 30 -4.215 -21.367 17.540 1.00 4.43 N ATOM 468 CA LYS A 30 -4.259 -22.797 17.819 1.00 21.14 C ATOM 469 C LYS A 30 -5.143 -23.521 16.809 1.00 32.44 C ATOM 470 O LYS A 30 -4.758 -24.552 16.257 1.00 65.21 O ATOM 471 CB LYS A 30 -4.778 -23.045 19.238 1.00 65.14 C ATOM 472 CG LYS A 30 -3.801 -22.629 20.324 1.00 64.41 C ATOM 473 CD LYS A 30 -3.105 -23.832 20.938 1.00 20.44 C ATOM 474 CE LYS A 30 -1.751 -23.456 21.520 1.00 22.20 C ATOM 475 NZ LYS A 30 -1.407 -24.287 22.707 1.00 0.12 N ATOM 0 H LYS A 30 -4.477 -20.776 18.329 1.00 4.43 H new ATOM 0 HA LYS A 30 -3.246 -23.190 17.736 1.00 21.14 H new ATOM 0 HB2 LYS A 30 -5.713 -22.501 19.374 1.00 65.14 H new ATOM 0 HB3 LYS A 30 -5.006 -24.105 19.353 1.00 65.14 H new ATOM 0 HG2 LYS A 30 -3.057 -21.951 19.905 1.00 64.41 H new ATOM 0 HG3 LYS A 30 -4.332 -22.079 21.101 1.00 64.41 H new ATOM 0 HD2 LYS A 30 -3.733 -24.257 21.721 1.00 20.44 H new ATOM 0 HD3 LYS A 30 -2.975 -24.604 20.180 1.00 20.44 H new ATOM 0 HE2 LYS A 30 -0.982 -23.576 20.757 1.00 22.20 H new ATOM 0 HE3 LYS A 30 -1.757 -22.403 21.803 1.00 22.20 H new ATOM 0 HZ1 LYS A 30 -0.477 -24.000 23.074 1.00 0.12 H new ATOM 0 HZ2 LYS A 30 -2.127 -24.153 23.445 1.00 0.12 H new ATOM 0 HZ3 LYS A 30 -1.376 -25.289 22.432 1.00 0.12 H new ATOM 489 N THR A 31 -6.332 -22.975 16.571 1.00 44.01 N ATOM 490 CA THR A 31 -7.270 -23.569 15.627 1.00 13.34 C ATOM 491 C THR A 31 -6.658 -23.675 14.236 1.00 43.15 C ATOM 492 O THR A 31 -6.481 -24.772 13.706 1.00 21.21 O ATOM 493 CB THR A 31 -8.573 -22.751 15.541 1.00 30.34 C ATOM 494 OG1 THR A 31 -9.349 -22.940 16.730 1.00 74.44 O ATOM 495 CG2 THR A 31 -9.390 -23.161 14.325 1.00 22.23 C ATOM 0 H THR A 31 -6.668 -22.122 17.019 1.00 44.01 H new ATOM 0 HA THR A 31 -7.500 -24.568 15.996 1.00 13.34 H new ATOM 0 HB THR A 31 -8.310 -21.698 15.443 1.00 30.34 H new ATOM 0 HG1 THR A 31 -9.059 -22.302 17.415 1.00 74.44 H new ATOM 0 HG21 THR A 31 -10.305 -22.570 14.285 1.00 22.23 H new ATOM 0 HG22 THR A 31 -8.807 -22.989 13.420 1.00 22.23 H new ATOM 0 HG23 THR A 31 -9.644 -24.219 14.397 1.00 22.23 H new ATOM 503 N VAL A 32 -6.334 -22.528 13.647 1.00 14.31 N ATOM 504 CA VAL A 32 -5.739 -22.492 12.317 1.00 73.05 C ATOM 505 C VAL A 32 -4.612 -23.511 12.191 1.00 2.43 C ATOM 506 O VAL A 32 -4.701 -24.457 11.410 1.00 21.43 O ATOM 507 CB VAL A 32 -5.191 -21.092 11.984 1.00 5.34 C ATOM 508 CG1 VAL A 32 -4.705 -21.036 10.544 1.00 60.10 C ATOM 509 CG2 VAL A 32 -6.250 -20.030 12.240 1.00 61.40 C ATOM 0 H VAL A 32 -6.474 -21.611 14.071 1.00 14.31 H new ATOM 0 HA VAL A 32 -6.530 -22.741 11.610 1.00 73.05 H new ATOM 0 HB VAL A 32 -4.341 -20.890 12.636 1.00 5.34 H new ATOM 0 HG11 VAL A 32 -4.322 -20.039 10.328 1.00 60.10 H new ATOM 0 HG12 VAL A 32 -3.912 -21.769 10.399 1.00 60.10 H new ATOM 0 HG13 VAL A 32 -5.533 -21.260 9.872 1.00 60.10 H new ATOM 0 HG21 VAL A 32 -5.845 -19.047 11.999 1.00 61.40 H new ATOM 0 HG22 VAL A 32 -7.121 -20.227 11.615 1.00 61.40 H new ATOM 0 HG23 VAL A 32 -6.544 -20.054 13.289 1.00 61.40 H new ATOM 519 N ALA A 33 -3.551 -23.309 12.967 1.00 74.43 N ATOM 520 CA ALA A 33 -2.407 -24.212 12.945 1.00 42.23 C ATOM 521 C ALA A 33 -2.825 -25.637 13.289 1.00 21.31 C ATOM 522 O ALA A 33 -2.126 -26.596 12.963 1.00 4.51 O ATOM 523 CB ALA A 33 -1.334 -23.727 13.909 1.00 40.15 C ATOM 0 H ALA A 33 -3.461 -22.529 13.618 1.00 74.43 H new ATOM 0 HA ALA A 33 -1.998 -24.216 11.935 1.00 42.23 H new ATOM 0 HB1 ALA A 33 -0.485 -24.411 13.883 1.00 40.15 H new ATOM 0 HB2 ALA A 33 -1.006 -22.730 13.616 1.00 40.15 H new ATOM 0 HB3 ALA A 33 -1.741 -23.693 14.920 1.00 40.15 H new ATOM 529 N GLY A 34 -3.970 -25.770 13.951 1.00 14.21 N ATOM 530 CA GLY A 34 -4.461 -27.082 14.329 1.00 31.14 C ATOM 531 C GLY A 34 -4.739 -27.965 13.129 1.00 24.42 C ATOM 532 O GLY A 34 -4.047 -28.960 12.909 1.00 13.11 O ATOM 0 H GLY A 34 -4.567 -24.992 14.232 1.00 14.21 H new ATOM 0 HA2 GLY A 34 -3.728 -27.569 14.973 1.00 31.14 H new ATOM 0 HA3 GLY A 34 -5.374 -26.970 14.913 1.00 31.14 H new ATOM 536 N TRP A 35 -5.753 -27.603 12.353 1.00 72.35 N ATOM 537 CA TRP A 35 -6.122 -28.372 11.169 1.00 44.11 C ATOM 538 C TRP A 35 -5.118 -28.152 10.043 1.00 43.53 C ATOM 539 O TRP A 35 -5.006 -28.971 9.130 1.00 42.40 O ATOM 540 CB TRP A 35 -7.525 -27.985 10.701 1.00 52.44 C ATOM 541 CG TRP A 35 -7.723 -26.504 10.578 1.00 32.01 C ATOM 542 CD1 TRP A 35 -8.109 -25.644 11.567 1.00 71.25 C ATOM 543 CD2 TRP A 35 -7.547 -25.710 9.400 1.00 63.54 C ATOM 544 NE1 TRP A 35 -8.183 -24.364 11.073 1.00 13.23 N ATOM 545 CE2 TRP A 35 -7.842 -24.378 9.747 1.00 51.43 C ATOM 546 CE3 TRP A 35 -7.166 -25.996 8.086 1.00 41.53 C ATOM 547 CZ2 TRP A 35 -7.769 -23.335 8.826 1.00 32.44 C ATOM 548 CZ3 TRP A 35 -7.094 -24.960 7.173 1.00 33.14 C ATOM 549 CH2 TRP A 35 -7.394 -23.643 7.547 1.00 61.20 C ATOM 0 H TRP A 35 -6.335 -26.782 12.521 1.00 72.35 H new ATOM 0 HA TRP A 35 -6.115 -29.429 11.436 1.00 44.11 H new ATOM 0 HB2 TRP A 35 -7.720 -28.452 9.735 1.00 52.44 H new ATOM 0 HB3 TRP A 35 -8.257 -28.385 11.402 1.00 52.44 H new ATOM 0 HD1 TRP A 35 -8.324 -25.928 12.586 1.00 71.25 H new ATOM 0 HE1 TRP A 35 -8.449 -23.537 11.608 1.00 13.23 H new ATOM 0 HE3 TRP A 35 -6.932 -27.008 7.789 1.00 41.53 H new ATOM 0 HZ2 TRP A 35 -8.000 -22.319 9.112 1.00 32.44 H new ATOM 0 HZ3 TRP A 35 -6.802 -25.169 6.155 1.00 33.14 H new ATOM 0 HH2 TRP A 35 -7.328 -22.856 6.811 1.00 61.20 H new ATOM 560 N ILE A 36 -4.390 -27.042 10.113 1.00 12.00 N ATOM 561 CA ILE A 36 -3.395 -26.716 9.099 1.00 22.22 C ATOM 562 C ILE A 36 -2.234 -27.704 9.131 1.00 61.40 C ATOM 563 O ILE A 36 -1.866 -28.279 8.106 1.00 11.40 O ATOM 564 CB ILE A 36 -2.845 -25.290 9.288 1.00 54.23 C ATOM 565 CG1 ILE A 36 -3.771 -24.271 8.620 1.00 14.25 C ATOM 566 CG2 ILE A 36 -1.438 -25.185 8.720 1.00 24.35 C ATOM 567 CD1 ILE A 36 -3.176 -22.883 8.528 1.00 71.34 C ATOM 0 H ILE A 36 -4.471 -26.354 10.861 1.00 12.00 H new ATOM 0 HA ILE A 36 -3.897 -26.779 8.133 1.00 22.22 H new ATOM 0 HB ILE A 36 -2.803 -25.071 10.355 1.00 54.23 H new ATOM 0 HG12 ILE A 36 -4.018 -24.619 7.617 1.00 14.25 H new ATOM 0 HG13 ILE A 36 -4.706 -24.221 9.179 1.00 14.25 H new ATOM 0 HG21 ILE A 36 -1.063 -24.171 8.861 1.00 24.35 H new ATOM 0 HG22 ILE A 36 -0.784 -25.889 9.235 1.00 24.35 H new ATOM 0 HG23 ILE A 36 -1.457 -25.420 7.656 1.00 24.35 H new ATOM 0 HD11 ILE A 36 -3.887 -22.214 8.044 1.00 71.34 H new ATOM 0 HD12 ILE A 36 -2.955 -22.515 9.530 1.00 71.34 H new ATOM 0 HD13 ILE A 36 -2.256 -22.919 7.944 1.00 71.34 H new ATOM 579 N ARG A 37 -1.662 -27.899 10.315 1.00 60.13 N ATOM 580 CA ARG A 37 -0.543 -28.819 10.481 1.00 41.35 C ATOM 581 C ARG A 37 -1.006 -30.267 10.353 1.00 70.01 C ATOM 582 O ARG A 37 -0.318 -31.099 9.763 1.00 71.34 O ATOM 583 CB ARG A 37 0.125 -28.603 11.840 1.00 34.41 C ATOM 584 CG ARG A 37 1.549 -29.129 11.909 1.00 2.21 C ATOM 585 CD ARG A 37 2.457 -28.407 10.926 1.00 4.10 C ATOM 586 NE ARG A 37 3.869 -28.686 11.178 1.00 74.20 N ATOM 587 CZ ARG A 37 4.459 -29.833 10.860 1.00 41.34 C ATOM 588 NH1 ARG A 37 3.764 -30.802 10.280 1.00 41.53 N ATOM 589 NH2 ARG A 37 5.748 -30.012 11.121 1.00 54.31 N ATOM 0 H ARG A 37 -1.955 -27.432 11.173 1.00 60.13 H new ATOM 0 HA ARG A 37 0.181 -28.617 9.692 1.00 41.35 H new ATOM 0 HB2 ARG A 37 0.129 -27.537 12.068 1.00 34.41 H new ATOM 0 HB3 ARG A 37 -0.472 -29.092 12.610 1.00 34.41 H new ATOM 0 HG2 ARG A 37 1.935 -29.006 12.921 1.00 2.21 H new ATOM 0 HG3 ARG A 37 1.554 -30.198 11.694 1.00 2.21 H new ATOM 0 HD2 ARG A 37 2.204 -28.709 9.910 1.00 4.10 H new ATOM 0 HD3 ARG A 37 2.282 -27.333 10.993 1.00 4.10 H new ATOM 0 HE ARG A 37 4.432 -27.961 11.622 1.00 74.20 H new ATOM 0 HH11 ARG A 37 2.773 -30.668 10.077 1.00 41.53 H new ATOM 0 HH12 ARG A 37 4.220 -31.681 10.037 1.00 41.53 H new ATOM 0 HH21 ARG A 37 6.286 -29.269 11.566 1.00 54.31 H new ATOM 0 HH22 ARG A 37 6.200 -30.893 10.877 1.00 54.31 H new ATOM 603 N ALA A 38 -2.176 -30.560 10.911 1.00 60.10 N ATOM 604 CA ALA A 38 -2.732 -31.907 10.858 1.00 5.34 C ATOM 605 C ALA A 38 -2.887 -32.380 9.417 1.00 34.33 C ATOM 606 O ALA A 38 -2.476 -33.488 9.069 1.00 50.10 O ATOM 607 CB ALA A 38 -4.071 -31.954 11.579 1.00 4.32 C ATOM 0 H ALA A 38 -2.757 -29.883 11.405 1.00 60.10 H new ATOM 0 HA ALA A 38 -2.038 -32.580 11.361 1.00 5.34 H new ATOM 0 HB1 ALA A 38 -4.475 -32.965 11.532 1.00 4.32 H new ATOM 0 HB2 ALA A 38 -3.933 -31.667 12.621 1.00 4.32 H new ATOM 0 HB3 ALA A 38 -4.766 -31.263 11.101 1.00 4.32 H new ATOM 613 N LEU A 39 -3.484 -31.536 8.583 1.00 11.13 N ATOM 614 CA LEU A 39 -3.695 -31.869 7.179 1.00 51.43 C ATOM 615 C LEU A 39 -2.369 -31.925 6.427 1.00 1.13 C ATOM 616 O LEU A 39 -2.043 -32.932 5.798 1.00 2.23 O ATOM 617 CB LEU A 39 -4.622 -30.842 6.525 1.00 63.13 C ATOM 618 CG LEU A 39 -6.050 -31.310 6.244 1.00 31.11 C ATOM 619 CD1 LEU A 39 -6.953 -31.008 7.430 1.00 74.14 C ATOM 620 CD2 LEU A 39 -6.588 -30.654 4.981 1.00 42.13 C ATOM 0 H LEU A 39 -3.831 -30.616 8.855 1.00 11.13 H new ATOM 0 HA LEU A 39 -4.161 -32.853 7.131 1.00 51.43 H new ATOM 0 HB2 LEU A 39 -4.669 -29.963 7.168 1.00 63.13 H new ATOM 0 HB3 LEU A 39 -4.173 -30.525 5.584 1.00 63.13 H new ATOM 0 HG LEU A 39 -6.035 -32.389 6.090 1.00 31.11 H new ATOM 0 HD11 LEU A 39 -7.965 -31.348 7.212 1.00 74.14 H new ATOM 0 HD12 LEU A 39 -6.579 -31.525 8.313 1.00 74.14 H new ATOM 0 HD13 LEU A 39 -6.963 -29.934 7.616 1.00 74.14 H new ATOM 0 HD21 LEU A 39 -7.605 -30.999 4.797 1.00 42.13 H new ATOM 0 HD22 LEU A 39 -6.589 -29.571 5.106 1.00 42.13 H new ATOM 0 HD23 LEU A 39 -5.955 -30.921 4.134 1.00 42.13 H new ATOM 632 N ARG A 40 -1.607 -30.838 6.499 1.00 34.11 N ATOM 633 CA ARG A 40 -0.316 -30.764 5.826 1.00 20.35 C ATOM 634 C ARG A 40 0.544 -31.979 6.165 1.00 55.20 C ATOM 635 O ARG A 40 1.113 -32.615 5.279 1.00 70.35 O ATOM 636 CB ARG A 40 0.417 -29.481 6.223 1.00 73.23 C ATOM 637 CG ARG A 40 1.321 -28.934 5.131 1.00 63.35 C ATOM 638 CD ARG A 40 0.520 -28.462 3.928 1.00 54.12 C ATOM 639 NE ARG A 40 1.161 -28.823 2.666 1.00 1.24 N ATOM 640 CZ ARG A 40 0.570 -28.708 1.482 1.00 2.12 C ATOM 641 NH1 ARG A 40 -0.669 -28.244 1.398 1.00 1.12 N ATOM 642 NH2 ARG A 40 1.219 -29.057 0.379 1.00 64.01 N ATOM 0 H ARG A 40 -1.862 -29.997 7.017 1.00 34.11 H new ATOM 0 HA ARG A 40 -0.495 -30.755 4.751 1.00 20.35 H new ATOM 0 HB2 ARG A 40 -0.317 -28.721 6.490 1.00 73.23 H new ATOM 0 HB3 ARG A 40 1.014 -29.674 7.114 1.00 73.23 H new ATOM 0 HG2 ARG A 40 1.909 -28.105 5.525 1.00 63.35 H new ATOM 0 HG3 ARG A 40 2.026 -29.705 4.820 1.00 63.35 H new ATOM 0 HD2 ARG A 40 -0.479 -28.897 3.964 1.00 54.12 H new ATOM 0 HD3 ARG A 40 0.398 -27.380 3.976 1.00 54.12 H new ATOM 0 HE ARG A 40 2.115 -29.183 2.696 1.00 1.24 H new ATOM 0 HH11 ARG A 40 -1.171 -27.974 2.244 1.00 1.12 H new ATOM 0 HH12 ARG A 40 -1.120 -28.157 0.487 1.00 1.12 H new ATOM 0 HH21 ARG A 40 2.173 -29.414 0.440 1.00 64.01 H new ATOM 0 HH22 ARG A 40 0.764 -28.968 -0.530 1.00 64.01 H new ATOM 656 N SER A 41 0.633 -32.294 7.453 1.00 13.33 N ATOM 657 CA SER A 41 1.426 -33.429 7.910 1.00 41.14 C ATOM 658 C SER A 41 0.869 -34.738 7.358 1.00 50.30 C ATOM 659 O SER A 41 1.621 -35.618 6.937 1.00 11.10 O ATOM 660 CB SER A 41 1.454 -33.477 9.438 1.00 33.34 C ATOM 661 OG SER A 41 2.332 -34.489 9.901 1.00 40.41 O ATOM 0 H SER A 41 0.165 -31.779 8.199 1.00 13.33 H new ATOM 0 HA SER A 41 2.443 -33.302 7.540 1.00 41.14 H new ATOM 0 HB2 SER A 41 1.770 -32.510 9.830 1.00 33.34 H new ATOM 0 HB3 SER A 41 0.449 -33.662 9.818 1.00 33.34 H new ATOM 0 HG SER A 41 2.333 -34.498 10.881 1.00 40.41 H new ATOM 667 N LEU A 42 -0.454 -34.859 7.363 1.00 21.05 N ATOM 668 CA LEU A 42 -1.114 -36.060 6.864 1.00 72.11 C ATOM 669 C LEU A 42 -0.847 -36.249 5.374 1.00 0.30 C ATOM 670 O LEU A 42 -0.547 -37.353 4.922 1.00 35.40 O ATOM 671 CB LEU A 42 -2.621 -35.981 7.117 1.00 4.25 C ATOM 672 CG LEU A 42 -3.125 -36.671 8.385 1.00 11.12 C ATOM 673 CD1 LEU A 42 -4.429 -36.043 8.852 1.00 51.10 C ATOM 674 CD2 LEU A 42 -3.306 -38.163 8.145 1.00 44.35 C ATOM 0 H LEU A 42 -1.091 -34.140 7.707 1.00 21.05 H new ATOM 0 HA LEU A 42 -0.706 -36.917 7.400 1.00 72.11 H new ATOM 0 HB2 LEU A 42 -2.907 -34.930 7.161 1.00 4.25 H new ATOM 0 HB3 LEU A 42 -3.136 -36.416 6.261 1.00 4.25 H new ATOM 0 HG LEU A 42 -2.379 -36.537 9.169 1.00 11.12 H new ATOM 0 HD11 LEU A 42 -4.772 -36.547 9.755 1.00 51.10 H new ATOM 0 HD12 LEU A 42 -4.268 -34.986 9.065 1.00 51.10 H new ATOM 0 HD13 LEU A 42 -5.182 -36.145 8.071 1.00 51.10 H new ATOM 0 HD21 LEU A 42 -3.665 -38.637 9.058 1.00 44.35 H new ATOM 0 HD22 LEU A 42 -4.031 -38.318 7.346 1.00 44.35 H new ATOM 0 HD23 LEU A 42 -2.351 -38.604 7.858 1.00 44.35 H new ATOM 686 N ALA A 43 -0.956 -35.162 4.617 1.00 65.15 N ATOM 687 CA ALA A 43 -0.721 -35.207 3.179 1.00 55.05 C ATOM 688 C ALA A 43 0.701 -35.661 2.868 1.00 73.14 C ATOM 689 O ALA A 43 0.915 -36.542 2.034 1.00 34.11 O ATOM 690 CB ALA A 43 -0.990 -33.844 2.557 1.00 31.24 C ATOM 0 H ALA A 43 -1.205 -34.240 4.975 1.00 65.15 H new ATOM 0 HA ALA A 43 -1.409 -35.934 2.747 1.00 55.05 H new ATOM 0 HB1 ALA A 43 -0.810 -33.892 1.483 1.00 31.24 H new ATOM 0 HB2 ALA A 43 -2.026 -33.559 2.739 1.00 31.24 H new ATOM 0 HB3 ALA A 43 -0.326 -33.103 3.003 1.00 31.24 H new ATOM 1082 N GLU A 67 -9.629 -37.798 -13.508 1.00 45.41 N ATOM 1083 CA GLU A 67 -9.286 -37.318 -14.842 1.00 74.10 C ATOM 1084 C GLU A 67 -10.234 -37.898 -15.888 1.00 50.12 C ATOM 1085 O GLU A 67 -10.857 -37.162 -16.654 1.00 63.34 O ATOM 1086 CB GLU A 67 -7.842 -37.688 -15.186 1.00 1.51 C ATOM 1087 CG GLU A 67 -6.812 -36.753 -14.574 1.00 13.25 C ATOM 1088 CD GLU A 67 -6.072 -35.938 -15.616 1.00 5.43 C ATOM 1089 OE1 GLU A 67 -5.325 -36.538 -16.417 1.00 22.02 O ATOM 1090 OE2 GLU A 67 -6.238 -34.700 -15.630 1.00 70.23 O ATOM 0 HA GLU A 67 -9.386 -36.233 -14.847 1.00 74.10 H new ATOM 0 HB2 GLU A 67 -7.645 -38.705 -14.845 1.00 1.51 H new ATOM 0 HB3 GLU A 67 -7.724 -37.686 -16.270 1.00 1.51 H new ATOM 0 HG2 GLU A 67 -7.308 -36.079 -13.876 1.00 13.25 H new ATOM 0 HG3 GLU A 67 -6.094 -37.337 -13.998 1.00 13.25 H new ATOM 1097 N LYS A 68 -10.338 -39.222 -15.915 1.00 23.34 N ATOM 1098 CA LYS A 68 -11.209 -39.903 -16.865 1.00 61.21 C ATOM 1099 C LYS A 68 -12.642 -39.394 -16.751 1.00 11.30 C ATOM 1100 O LYS A 68 -13.321 -39.191 -17.757 1.00 63.14 O ATOM 1101 CB LYS A 68 -11.173 -41.415 -16.629 1.00 13.33 C ATOM 1102 CG LYS A 68 -9.842 -42.055 -16.984 1.00 13.35 C ATOM 1103 CD LYS A 68 -9.775 -42.422 -18.456 1.00 74.34 C ATOM 1104 CE LYS A 68 -8.426 -42.064 -19.060 1.00 1.35 C ATOM 1105 NZ LYS A 68 -8.475 -42.030 -20.547 1.00 63.35 N ATOM 0 H LYS A 68 -9.829 -39.846 -15.289 1.00 23.34 H new ATOM 0 HA LYS A 68 -10.845 -39.690 -17.870 1.00 61.21 H new ATOM 0 HB2 LYS A 68 -11.395 -41.616 -15.581 1.00 13.33 H new ATOM 0 HB3 LYS A 68 -11.961 -41.885 -17.218 1.00 13.33 H new ATOM 0 HG2 LYS A 68 -9.031 -41.368 -16.742 1.00 13.35 H new ATOM 0 HG3 LYS A 68 -9.694 -42.949 -16.378 1.00 13.35 H new ATOM 0 HD2 LYS A 68 -9.955 -43.490 -18.574 1.00 74.34 H new ATOM 0 HD3 LYS A 68 -10.566 -41.903 -18.998 1.00 74.34 H new ATOM 0 HE2 LYS A 68 -8.107 -41.092 -18.685 1.00 1.35 H new ATOM 0 HE3 LYS A 68 -7.680 -42.790 -18.738 1.00 1.35 H new ATOM 0 HZ1 LYS A 68 -7.536 -41.782 -20.920 1.00 63.35 H new ATOM 0 HZ2 LYS A 68 -8.755 -42.965 -20.907 1.00 63.35 H new ATOM 0 HZ3 LYS A 68 -9.168 -41.319 -20.855 1.00 63.35 H new ATOM 1119 N ALA A 69 -13.096 -39.188 -15.519 1.00 3.41 N ATOM 1120 CA ALA A 69 -14.447 -38.698 -15.274 1.00 62.42 C ATOM 1121 C ALA A 69 -14.540 -37.197 -15.522 1.00 52.32 C ATOM 1122 O ALA A 69 -15.634 -36.638 -15.599 1.00 51.53 O ATOM 1123 CB ALA A 69 -14.878 -39.028 -13.853 1.00 32.41 C ATOM 0 H ALA A 69 -12.548 -39.353 -14.675 1.00 3.41 H new ATOM 0 HA ALA A 69 -15.120 -39.197 -15.971 1.00 62.42 H new ATOM 0 HB1 ALA A 69 -15.889 -38.656 -13.684 1.00 32.41 H new ATOM 0 HB2 ALA A 69 -14.860 -40.108 -13.709 1.00 32.41 H new ATOM 0 HB3 ALA A 69 -14.195 -38.556 -13.147 1.00 32.41 H new ATOM 1129 N SER A 70 -13.386 -36.549 -15.646 1.00 11.05 N ATOM 1130 CA SER A 70 -13.338 -35.111 -15.880 1.00 51.43 C ATOM 1131 C SER A 70 -12.716 -34.802 -17.239 1.00 21.42 C ATOM 1132 O SER A 70 -12.453 -33.644 -17.566 1.00 73.33 O ATOM 1133 CB SER A 70 -12.541 -34.418 -14.773 1.00 34.11 C ATOM 1134 OG SER A 70 -13.208 -34.517 -13.527 1.00 34.15 O ATOM 0 H SER A 70 -12.472 -36.998 -15.588 1.00 11.05 H new ATOM 0 HA SER A 70 -14.360 -34.733 -15.873 1.00 51.43 H new ATOM 0 HB2 SER A 70 -11.551 -34.869 -14.696 1.00 34.11 H new ATOM 0 HB3 SER A 70 -12.394 -33.369 -15.028 1.00 34.11 H new ATOM 0 HG SER A 70 -12.678 -34.068 -12.836 1.00 34.15 H new ATOM 1140 N LEU A 71 -12.482 -35.847 -18.026 1.00 15.30 N ATOM 1141 CA LEU A 71 -11.891 -35.690 -19.350 1.00 40.52 C ATOM 1142 C LEU A 71 -12.800 -36.276 -20.426 1.00 1.13 C ATOM 1143 O LEU A 71 -12.832 -35.793 -21.558 1.00 74.22 O ATOM 1144 CB LEU A 71 -10.520 -36.365 -19.401 1.00 64.33 C ATOM 1145 CG LEU A 71 -9.309 -35.436 -19.299 1.00 34.55 C ATOM 1146 CD1 LEU A 71 -9.282 -34.743 -17.945 1.00 52.24 C ATOM 1147 CD2 LEU A 71 -8.021 -36.212 -19.528 1.00 64.31 C ATOM 0 H LEU A 71 -12.693 -36.812 -17.770 1.00 15.30 H new ATOM 0 HA LEU A 71 -11.772 -34.624 -19.543 1.00 40.52 H new ATOM 0 HB2 LEU A 71 -10.465 -37.091 -18.590 1.00 64.33 H new ATOM 0 HB3 LEU A 71 -10.447 -36.923 -20.334 1.00 64.33 H new ATOM 0 HG LEU A 71 -9.393 -34.674 -20.074 1.00 34.55 H new ATOM 0 HD11 LEU A 71 -8.414 -34.086 -17.890 1.00 52.24 H new ATOM 0 HD12 LEU A 71 -10.191 -34.155 -17.819 1.00 52.24 H new ATOM 0 HD13 LEU A 71 -9.222 -35.491 -17.155 1.00 52.24 H new ATOM 0 HD21 LEU A 71 -7.170 -35.535 -19.452 1.00 64.31 H new ATOM 0 HD22 LEU A 71 -7.930 -36.996 -18.776 1.00 64.31 H new ATOM 0 HD23 LEU A 71 -8.039 -36.662 -20.521 1.00 64.31 H new ATOM 1159 N THR A 72 -13.540 -37.320 -20.064 1.00 2.54 N ATOM 1160 CA THR A 72 -14.450 -37.971 -20.996 1.00 73.34 C ATOM 1161 C THR A 72 -14.911 -37.004 -22.081 1.00 35.41 C ATOM 1162 O THR A 72 -14.561 -37.156 -23.250 1.00 40.13 O ATOM 1163 CB THR A 72 -15.685 -38.539 -20.272 1.00 34.12 C ATOM 1164 OG1 THR A 72 -16.102 -37.641 -19.237 1.00 55.05 O ATOM 1165 CG2 THR A 72 -15.381 -39.904 -19.673 1.00 34.10 C ATOM 0 H THR A 72 -13.526 -37.732 -19.131 1.00 2.54 H new ATOM 0 HA THR A 72 -13.898 -38.791 -21.455 1.00 73.34 H new ATOM 0 HB THR A 72 -16.487 -38.650 -21.002 1.00 34.12 H new ATOM 0 HG1 THR A 72 -16.889 -38.008 -18.783 1.00 55.05 H new ATOM 0 HG21 THR A 72 -16.268 -40.285 -19.167 1.00 34.10 H new ATOM 0 HG22 THR A 72 -15.092 -40.593 -20.466 1.00 34.10 H new ATOM 0 HG23 THR A 72 -14.565 -39.813 -18.956 1.00 34.10 H new ATOM 1173 N ASN A 73 -15.699 -36.010 -21.685 1.00 11.14 N ATOM 1174 CA ASN A 73 -16.208 -35.017 -22.624 1.00 73.41 C ATOM 1175 C ASN A 73 -15.947 -33.603 -22.116 1.00 15.25 C ATOM 1176 O ASN A 73 -16.796 -32.719 -22.243 1.00 31.13 O ATOM 1177 CB ASN A 73 -17.708 -35.221 -22.851 1.00 65.51 C ATOM 1178 CG ASN A 73 -18.390 -35.868 -21.661 1.00 2.43 C ATOM 1179 OD1 ASN A 73 -18.913 -36.978 -21.758 1.00 40.32 O ATOM 1180 ND2 ASN A 73 -18.387 -35.173 -20.529 1.00 33.22 N ATOM 0 H ASN A 73 -15.999 -35.871 -20.720 1.00 11.14 H new ATOM 0 HA ASN A 73 -15.683 -35.146 -23.570 1.00 73.41 H new ATOM 0 HB2 ASN A 73 -18.176 -34.258 -23.055 1.00 65.51 H new ATOM 0 HB3 ASN A 73 -17.858 -35.842 -23.734 1.00 65.51 H new ATOM 0 HD21 ASN A 73 -18.830 -35.556 -19.694 1.00 33.22 H new ATOM 0 HD22 ASN A 73 -17.941 -34.256 -20.495 1.00 33.22 H new ATOM 1187 N LEU A 74 -14.769 -33.395 -21.540 1.00 25.23 N ATOM 1188 CA LEU A 74 -14.394 -32.088 -21.012 1.00 54.40 C ATOM 1189 C LEU A 74 -13.255 -31.479 -21.823 1.00 2.02 C ATOM 1190 O LEU A 74 -12.926 -30.302 -21.667 1.00 31.31 O ATOM 1191 CB LEU A 74 -13.984 -32.207 -19.543 1.00 43.14 C ATOM 1192 CG LEU A 74 -15.127 -32.317 -18.534 1.00 23.14 C ATOM 1193 CD1 LEU A 74 -15.042 -31.198 -17.508 1.00 12.25 C ATOM 1194 CD2 LEU A 74 -16.471 -32.290 -19.245 1.00 75.23 C ATOM 0 H LEU A 74 -14.056 -34.115 -21.426 1.00 25.23 H new ATOM 0 HA LEU A 74 -15.260 -31.431 -21.088 1.00 54.40 H new ATOM 0 HB2 LEU A 74 -13.345 -33.083 -19.435 1.00 43.14 H new ATOM 0 HB3 LEU A 74 -13.380 -31.338 -19.284 1.00 43.14 H new ATOM 0 HG LEU A 74 -15.035 -33.269 -18.012 1.00 23.14 H new ATOM 0 HD11 LEU A 74 -15.864 -31.292 -16.798 1.00 12.25 H new ATOM 0 HD12 LEU A 74 -14.093 -31.264 -16.976 1.00 12.25 H new ATOM 0 HD13 LEU A 74 -15.108 -30.235 -18.014 1.00 12.25 H new ATOM 0 HD21 LEU A 74 -17.273 -32.369 -18.511 1.00 75.23 H new ATOM 0 HD22 LEU A 74 -16.573 -31.354 -19.794 1.00 75.23 H new ATOM 0 HD23 LEU A 74 -16.532 -33.127 -19.940 1.00 75.23 H new ATOM 1206 N THR A 75 -12.655 -32.288 -22.691 1.00 54.44 N ATOM 1207 CA THR A 75 -11.553 -31.829 -23.528 1.00 35.13 C ATOM 1208 C THR A 75 -11.574 -32.515 -24.889 1.00 53.41 C ATOM 1209 O THR A 75 -12.006 -33.659 -25.028 1.00 71.21 O ATOM 1210 CB THR A 75 -10.192 -32.089 -22.856 1.00 31.05 C ATOM 1211 OG1 THR A 75 -10.374 -32.858 -21.661 1.00 53.23 O ATOM 1212 CG2 THR A 75 -9.495 -30.779 -22.520 1.00 74.00 C ATOM 0 H THR A 75 -12.914 -33.264 -22.833 1.00 54.44 H new ATOM 0 HA THR A 75 -11.684 -30.755 -23.663 1.00 35.13 H new ATOM 0 HB THR A 75 -9.568 -32.646 -23.555 1.00 31.05 H new ATOM 0 HG1 THR A 75 -9.589 -32.755 -21.083 1.00 53.23 H new ATOM 0 HG21 THR A 75 -8.536 -30.988 -22.046 1.00 74.00 H new ATOM 0 HG22 THR A 75 -9.331 -30.209 -23.435 1.00 74.00 H new ATOM 0 HG23 THR A 75 -10.118 -30.200 -21.838 1.00 74.00 H new ATOM 1220 N PRO A 76 -11.096 -31.801 -25.919 1.00 55.13 N ATOM 1221 CA PRO A 76 -11.049 -32.322 -27.289 1.00 5.13 C ATOM 1222 C PRO A 76 -10.015 -33.431 -27.451 1.00 31.41 C ATOM 1223 O PRO A 76 -10.219 -34.374 -28.215 1.00 43.02 O ATOM 1224 CB PRO A 76 -10.655 -31.099 -28.120 1.00 43.51 C ATOM 1225 CG PRO A 76 -9.925 -30.213 -27.170 1.00 21.55 C ATOM 1226 CD PRO A 76 -10.566 -30.430 -25.827 1.00 23.54 C ATOM 0 HA PRO A 76 -11.997 -32.770 -27.588 1.00 5.13 H new ATOM 0 HB2 PRO A 76 -10.024 -31.380 -28.963 1.00 43.51 H new ATOM 0 HB3 PRO A 76 -11.533 -30.600 -28.531 1.00 43.51 H new ATOM 0 HG2 PRO A 76 -8.864 -30.462 -27.141 1.00 21.55 H new ATOM 0 HG3 PRO A 76 -10.000 -29.169 -27.474 1.00 21.55 H new ATOM 0 HD2 PRO A 76 -9.844 -30.332 -25.017 1.00 23.54 H new ATOM 0 HD3 PRO A 76 -11.358 -29.705 -25.638 1.00 23.54 H new ATOM 1234 N GLU A 77 -8.907 -33.312 -26.727 1.00 23.14 N ATOM 1235 CA GLU A 77 -7.842 -34.306 -26.792 1.00 22.02 C ATOM 1236 C GLU A 77 -8.391 -35.709 -26.547 1.00 41.42 C ATOM 1237 O GLU A 77 -7.924 -36.683 -27.139 1.00 42.43 O ATOM 1238 CB GLU A 77 -6.752 -33.987 -25.766 1.00 15.23 C ATOM 1239 CG GLU A 77 -5.445 -33.526 -26.389 1.00 35.31 C ATOM 1240 CD GLU A 77 -4.598 -34.681 -26.886 1.00 44.23 C ATOM 1241 OE1 GLU A 77 -4.890 -35.204 -27.982 1.00 13.04 O ATOM 1242 OE2 GLU A 77 -3.641 -35.061 -26.179 1.00 45.25 O ATOM 0 H GLU A 77 -8.723 -32.538 -26.089 1.00 23.14 H new ATOM 0 HA GLU A 77 -7.410 -34.273 -27.792 1.00 22.02 H new ATOM 0 HB2 GLU A 77 -7.116 -33.212 -25.091 1.00 15.23 H new ATOM 0 HB3 GLU A 77 -6.563 -34.874 -25.161 1.00 15.23 H new ATOM 0 HG2 GLU A 77 -5.660 -32.854 -27.220 1.00 35.31 H new ATOM 0 HG3 GLU A 77 -4.878 -32.954 -25.654 1.00 35.31 H new ATOM 1249 N LEU A 78 -9.385 -35.804 -25.671 1.00 3.21 N ATOM 1250 CA LEU A 78 -9.998 -37.087 -25.346 1.00 54.14 C ATOM 1251 C LEU A 78 -10.731 -37.661 -26.555 1.00 20.23 C ATOM 1252 O LEU A 78 -10.416 -38.756 -27.023 1.00 14.41 O ATOM 1253 CB LEU A 78 -10.969 -36.928 -24.175 1.00 32.50 C ATOM 1254 CG LEU A 78 -10.355 -37.019 -22.777 1.00 73.55 C ATOM 1255 CD1 LEU A 78 -9.405 -38.203 -22.688 1.00 63.11 C ATOM 1256 CD2 LEU A 78 -9.634 -35.726 -22.426 1.00 72.25 C ATOM 0 H LEU A 78 -9.784 -35.008 -25.173 1.00 3.21 H new ATOM 0 HA LEU A 78 -9.206 -37.779 -25.062 1.00 54.14 H new ATOM 0 HB2 LEU A 78 -11.466 -35.963 -24.270 1.00 32.50 H new ATOM 0 HB3 LEU A 78 -11.740 -37.693 -24.262 1.00 32.50 H new ATOM 0 HG LEU A 78 -11.159 -37.170 -22.057 1.00 73.55 H new ATOM 0 HD11 LEU A 78 -8.978 -38.252 -21.686 1.00 63.11 H new ATOM 0 HD12 LEU A 78 -9.951 -39.124 -22.895 1.00 63.11 H new ATOM 0 HD13 LEU A 78 -8.605 -38.083 -23.418 1.00 63.11 H new ATOM 0 HD21 LEU A 78 -9.203 -35.809 -21.428 1.00 72.25 H new ATOM 0 HD22 LEU A 78 -8.840 -35.544 -23.150 1.00 72.25 H new ATOM 0 HD23 LEU A 78 -10.342 -34.897 -22.448 1.00 72.25 H new ATOM 1268 N LYS A 79 -11.709 -36.915 -27.057 1.00 44.32 N ATOM 1269 CA LYS A 79 -12.485 -37.347 -28.214 1.00 4.55 C ATOM 1270 C LYS A 79 -11.570 -37.854 -29.324 1.00 10.30 C ATOM 1271 O LYS A 79 -11.890 -38.824 -30.009 1.00 61.35 O ATOM 1272 CB LYS A 79 -13.346 -36.194 -28.734 1.00 73.15 C ATOM 1273 CG LYS A 79 -14.550 -35.891 -27.859 1.00 50.22 C ATOM 1274 CD LYS A 79 -15.502 -34.919 -28.537 1.00 24.11 C ATOM 1275 CE LYS A 79 -15.215 -33.482 -28.129 1.00 30.24 C ATOM 1276 NZ LYS A 79 -15.597 -32.516 -29.195 1.00 52.22 N ATOM 0 H LYS A 79 -11.983 -36.008 -26.681 1.00 44.32 H new ATOM 0 HA LYS A 79 -13.134 -38.165 -27.901 1.00 4.55 H new ATOM 0 HB2 LYS A 79 -12.730 -35.298 -28.812 1.00 73.15 H new ATOM 0 HB3 LYS A 79 -13.690 -36.434 -29.740 1.00 73.15 H new ATOM 0 HG2 LYS A 79 -15.077 -36.817 -27.630 1.00 50.22 H new ATOM 0 HG3 LYS A 79 -14.215 -35.472 -26.910 1.00 50.22 H new ATOM 0 HD2 LYS A 79 -15.413 -35.016 -29.619 1.00 24.11 H new ATOM 0 HD3 LYS A 79 -16.530 -35.174 -28.278 1.00 24.11 H new ATOM 0 HE2 LYS A 79 -15.760 -33.248 -27.215 1.00 30.24 H new ATOM 0 HE3 LYS A 79 -14.154 -33.373 -27.904 1.00 30.24 H new ATOM 0 HZ1 LYS A 79 -15.386 -31.548 -28.878 1.00 52.22 H new ATOM 0 HZ2 LYS A 79 -15.058 -32.723 -30.060 1.00 52.22 H new ATOM 0 HZ3 LYS A 79 -16.615 -32.601 -29.392 1.00 52.22 H new ATOM 1290 N ALA A 80 -10.431 -37.191 -29.495 1.00 24.34 N ATOM 1291 CA ALA A 80 -9.468 -37.578 -30.519 1.00 55.42 C ATOM 1292 C ALA A 80 -8.817 -38.915 -30.184 1.00 40.02 C ATOM 1293 O ALA A 80 -8.739 -39.807 -31.029 1.00 24.02 O ATOM 1294 CB ALA A 80 -8.409 -36.498 -30.682 1.00 23.11 C ATOM 0 H ALA A 80 -10.152 -36.383 -28.938 1.00 24.34 H new ATOM 0 HA ALA A 80 -10.003 -37.692 -31.462 1.00 55.42 H new ATOM 0 HB1 ALA A 80 -7.696 -36.800 -31.450 1.00 23.11 H new ATOM 0 HB2 ALA A 80 -8.885 -35.563 -30.977 1.00 23.11 H new ATOM 0 HB3 ALA A 80 -7.885 -36.356 -29.737 1.00 23.11 H new ATOM 1300 N SER A 81 -8.350 -39.047 -28.947 1.00 31.13 N ATOM 1301 CA SER A 81 -7.701 -40.275 -28.502 1.00 2.44 C ATOM 1302 C SER A 81 -8.666 -41.454 -28.567 1.00 72.21 C ATOM 1303 O SER A 81 -8.331 -42.516 -29.090 1.00 64.42 O ATOM 1304 CB SER A 81 -7.175 -40.110 -27.074 1.00 51.13 C ATOM 1305 OG SER A 81 -5.950 -39.399 -27.061 1.00 45.42 O ATOM 0 H SER A 81 -8.409 -38.319 -28.235 1.00 31.13 H new ATOM 0 HA SER A 81 -6.863 -40.477 -29.170 1.00 2.44 H new ATOM 0 HB2 SER A 81 -7.912 -39.581 -26.470 1.00 51.13 H new ATOM 0 HB3 SER A 81 -7.035 -41.091 -26.619 1.00 51.13 H new ATOM 0 HG SER A 81 -5.636 -39.305 -26.137 1.00 45.42 H new ATOM 1311 N MET A 82 -9.867 -41.259 -28.032 1.00 2.50 N ATOM 1312 CA MET A 82 -10.882 -42.305 -28.030 1.00 71.43 C ATOM 1313 C MET A 82 -11.299 -42.660 -29.454 1.00 34.30 C ATOM 1314 O MET A 82 -11.499 -43.831 -29.779 1.00 12.13 O ATOM 1315 CB MET A 82 -12.104 -41.859 -27.225 1.00 22.44 C ATOM 1316 CG MET A 82 -11.751 -41.208 -25.897 1.00 34.41 C ATOM 1317 SD MET A 82 -12.653 -41.927 -24.510 1.00 41.43 S ATOM 1318 CE MET A 82 -11.526 -43.226 -24.010 1.00 40.13 C ATOM 0 H MET A 82 -10.161 -40.386 -27.594 1.00 2.50 H new ATOM 0 HA MET A 82 -10.453 -43.192 -27.563 1.00 71.43 H new ATOM 0 HB2 MET A 82 -12.686 -41.156 -27.822 1.00 22.44 H new ATOM 0 HB3 MET A 82 -12.742 -42.723 -27.039 1.00 22.44 H new ATOM 0 HG2 MET A 82 -10.680 -41.309 -25.721 1.00 34.41 H new ATOM 0 HG3 MET A 82 -11.966 -40.141 -25.951 1.00 34.41 H new ATOM 0 HE1 MET A 82 -11.945 -43.763 -23.159 1.00 40.13 H new ATOM 0 HE2 MET A 82 -11.378 -43.918 -24.839 1.00 40.13 H new ATOM 0 HE3 MET A 82 -10.569 -42.788 -23.727 1.00 40.13 H new ATOM 1328 N ASP A 83 -11.429 -41.643 -30.298 1.00 73.15 N ATOM 1329 CA ASP A 83 -11.822 -41.848 -31.688 1.00 32.22 C ATOM 1330 C ASP A 83 -10.801 -42.714 -32.419 1.00 41.22 C ATOM 1331 O ASP A 83 -11.165 -43.607 -33.183 1.00 63.02 O ATOM 1332 CB ASP A 83 -11.974 -40.504 -32.401 1.00 42.31 C ATOM 1333 CG ASP A 83 -12.406 -40.660 -33.846 1.00 22.32 C ATOM 1334 OD1 ASP A 83 -11.586 -41.130 -34.663 1.00 13.00 O ATOM 1335 OD2 ASP A 83 -13.564 -40.314 -34.159 1.00 42.11 O ATOM 0 H ASP A 83 -11.268 -40.668 -30.045 1.00 73.15 H new ATOM 0 HA ASP A 83 -12.782 -42.365 -31.696 1.00 32.22 H new ATOM 0 HB2 ASP A 83 -12.706 -39.895 -31.870 1.00 42.31 H new ATOM 0 HB3 ASP A 83 -11.026 -39.967 -32.364 1.00 42.31 H new ATOM 1340 N GLU A 84 -9.522 -42.441 -32.180 1.00 21.21 N ATOM 1341 CA GLU A 84 -8.449 -43.194 -32.818 1.00 23.41 C ATOM 1342 C GLU A 84 -8.379 -44.616 -32.266 1.00 51.45 C ATOM 1343 O GLU A 84 -8.086 -45.563 -32.997 1.00 20.44 O ATOM 1344 CB GLU A 84 -7.107 -42.489 -32.610 1.00 50.23 C ATOM 1345 CG GLU A 84 -6.770 -41.488 -33.703 1.00 30.21 C ATOM 1346 CD GLU A 84 -5.360 -41.657 -34.234 1.00 23.01 C ATOM 1347 OE1 GLU A 84 -4.498 -42.159 -33.482 1.00 52.40 O ATOM 1348 OE2 GLU A 84 -5.118 -41.287 -35.402 1.00 71.41 O ATOM 0 H GLU A 84 -9.204 -41.705 -31.550 1.00 21.21 H new ATOM 0 HA GLU A 84 -8.662 -43.247 -33.886 1.00 23.41 H new ATOM 0 HB2 GLU A 84 -7.122 -41.974 -31.649 1.00 50.23 H new ATOM 0 HB3 GLU A 84 -6.317 -43.238 -32.558 1.00 50.23 H new ATOM 0 HG2 GLU A 84 -7.479 -41.599 -34.523 1.00 30.21 H new ATOM 0 HG3 GLU A 84 -6.889 -40.477 -33.314 1.00 30.21 H new ATOM 1355 N LEU A 85 -8.650 -44.756 -30.974 1.00 1.14 N ATOM 1356 CA LEU A 85 -8.618 -46.061 -30.322 1.00 61.04 C ATOM 1357 C LEU A 85 -9.820 -46.905 -30.734 1.00 41.34 C ATOM 1358 O LEU A 85 -9.723 -48.127 -30.849 1.00 12.34 O ATOM 1359 CB LEU A 85 -8.595 -45.894 -28.802 1.00 43.11 C ATOM 1360 CG LEU A 85 -7.218 -45.962 -28.140 1.00 60.22 C ATOM 1361 CD1 LEU A 85 -6.579 -44.583 -28.095 1.00 25.11 C ATOM 1362 CD2 LEU A 85 -7.328 -46.547 -26.740 1.00 21.42 C ATOM 0 H LEU A 85 -8.895 -43.982 -30.356 1.00 1.14 H new ATOM 0 HA LEU A 85 -7.710 -46.575 -30.638 1.00 61.04 H new ATOM 0 HB2 LEU A 85 -9.048 -44.934 -28.555 1.00 43.11 H new ATOM 0 HB3 LEU A 85 -9.226 -46.666 -28.362 1.00 43.11 H new ATOM 0 HG LEU A 85 -6.581 -46.616 -28.736 1.00 60.22 H new ATOM 0 HD11 LEU A 85 -5.600 -44.651 -27.621 1.00 25.11 H new ATOM 0 HD12 LEU A 85 -6.465 -44.202 -29.110 1.00 25.11 H new ATOM 0 HD13 LEU A 85 -7.213 -43.907 -27.522 1.00 25.11 H new ATOM 0 HD21 LEU A 85 -6.339 -46.588 -26.284 1.00 21.42 H new ATOM 0 HD22 LEU A 85 -7.981 -45.920 -26.134 1.00 21.42 H new ATOM 0 HD23 LEU A 85 -7.743 -47.553 -26.798 1.00 21.42 H new ATOM 1374 N ARG A 86 -10.951 -46.244 -30.958 1.00 72.23 N ATOM 1375 CA ARG A 86 -12.172 -46.933 -31.359 1.00 21.31 C ATOM 1376 C ARG A 86 -12.073 -47.420 -32.802 1.00 22.45 C ATOM 1377 O ARG A 86 -12.324 -48.590 -33.090 1.00 30.23 O ATOM 1378 CB ARG A 86 -13.380 -46.008 -31.204 1.00 1.43 C ATOM 1379 CG ARG A 86 -14.650 -46.729 -30.783 1.00 50.05 C ATOM 1380 CD ARG A 86 -15.203 -46.170 -29.482 1.00 75.00 C ATOM 1381 NE ARG A 86 -16.660 -46.070 -29.505 1.00 33.53 N ATOM 1382 CZ ARG A 86 -17.471 -47.097 -29.275 1.00 22.54 C ATOM 1383 NH1 ARG A 86 -16.969 -48.295 -29.005 1.00 51.25 N ATOM 1384 NH2 ARG A 86 -18.786 -46.928 -29.313 1.00 52.30 N ATOM 0 H ARG A 86 -11.047 -45.232 -30.869 1.00 72.23 H new ATOM 0 HA ARG A 86 -12.300 -47.799 -30.709 1.00 21.31 H new ATOM 0 HB2 ARG A 86 -13.147 -45.240 -30.466 1.00 1.43 H new ATOM 0 HB3 ARG A 86 -13.559 -45.497 -32.150 1.00 1.43 H new ATOM 0 HG2 ARG A 86 -15.400 -46.635 -31.568 1.00 50.05 H new ATOM 0 HG3 ARG A 86 -14.444 -47.793 -30.665 1.00 50.05 H new ATOM 0 HD2 ARG A 86 -14.896 -46.809 -28.654 1.00 75.00 H new ATOM 0 HD3 ARG A 86 -14.775 -45.184 -29.300 1.00 75.00 H new ATOM 0 HE ARG A 86 -17.078 -45.162 -29.709 1.00 33.53 H new ATOM 0 HH11 ARG A 86 -15.958 -48.429 -28.974 1.00 51.25 H new ATOM 0 HH12 ARG A 86 -17.594 -49.082 -28.829 1.00 51.25 H new ATOM 0 HH21 ARG A 86 -19.176 -46.008 -29.519 1.00 52.30 H new ATOM 0 HH22 ARG A 86 -19.407 -47.718 -29.136 1.00 52.30 H new ATOM 1398 N GLN A 87 -11.706 -46.515 -33.703 1.00 2.15 N ATOM 1399 CA GLN A 87 -11.575 -46.853 -35.115 1.00 11.31 C ATOM 1400 C GLN A 87 -10.471 -47.882 -35.328 1.00 65.44 C ATOM 1401 O GLN A 87 -10.626 -48.821 -36.109 1.00 32.24 O ATOM 1402 CB GLN A 87 -11.283 -45.596 -35.937 1.00 21.03 C ATOM 1403 CG GLN A 87 -12.365 -44.534 -35.830 1.00 74.12 C ATOM 1404 CD GLN A 87 -13.011 -44.223 -37.166 1.00 43.41 C ATOM 1405 OE1 GLN A 87 -13.726 -45.050 -37.731 1.00 33.30 O ATOM 1406 NE2 GLN A 87 -12.761 -43.024 -37.679 1.00 41.42 N ATOM 0 H GLN A 87 -11.494 -45.542 -33.480 1.00 2.15 H new ATOM 0 HA GLN A 87 -12.518 -47.285 -35.448 1.00 11.31 H new ATOM 0 HB2 GLN A 87 -10.334 -45.170 -35.610 1.00 21.03 H new ATOM 0 HB3 GLN A 87 -11.163 -45.876 -36.984 1.00 21.03 H new ATOM 0 HG2 GLN A 87 -13.130 -44.869 -35.130 1.00 74.12 H new ATOM 0 HG3 GLN A 87 -11.934 -43.622 -35.418 1.00 74.12 H new ATOM 0 HE21 GLN A 87 -12.162 -42.369 -37.176 1.00 41.42 H new ATOM 0 HE22 GLN A 87 -13.168 -42.758 -38.576 1.00 41.42 H new ATOM 1415 N ALA A 88 -9.355 -47.699 -34.630 1.00 63.31 N ATOM 1416 CA ALA A 88 -8.225 -48.613 -34.742 1.00 62.30 C ATOM 1417 C ALA A 88 -8.573 -49.988 -34.180 1.00 44.42 C ATOM 1418 O ALA A 88 -8.261 -51.013 -34.786 1.00 14.15 O ATOM 1419 CB ALA A 88 -7.010 -48.041 -34.027 1.00 41.30 C ATOM 0 H ALA A 88 -9.209 -46.926 -33.981 1.00 63.31 H new ATOM 0 HA ALA A 88 -7.988 -48.731 -35.800 1.00 62.30 H new ATOM 0 HB1 ALA A 88 -6.174 -48.734 -34.119 1.00 41.30 H new ATOM 0 HB2 ALA A 88 -6.740 -47.085 -34.476 1.00 41.30 H new ATOM 0 HB3 ALA A 88 -7.244 -47.893 -32.973 1.00 41.30 H new ATOM 1425 N ALA A 89 -9.219 -50.001 -33.019 1.00 40.21 N ATOM 1426 CA ALA A 89 -9.610 -51.249 -32.377 1.00 20.44 C ATOM 1427 C ALA A 89 -10.709 -51.952 -33.166 1.00 61.41 C ATOM 1428 O ALA A 89 -10.680 -53.171 -33.336 1.00 53.35 O ATOM 1429 CB ALA A 89 -10.068 -50.988 -30.949 1.00 43.34 C ATOM 0 H ALA A 89 -9.483 -49.161 -32.504 1.00 40.21 H new ATOM 0 HA ALA A 89 -8.739 -51.904 -32.354 1.00 20.44 H new ATOM 0 HB1 ALA A 89 -10.357 -51.929 -30.482 1.00 43.34 H new ATOM 0 HB2 ALA A 89 -9.253 -50.537 -30.382 1.00 43.34 H new ATOM 0 HB3 ALA A 89 -10.922 -50.311 -30.959 1.00 43.34 H new ATOM 1435 N GLU A 90 -11.676 -51.176 -33.645 1.00 33.31 N ATOM 1436 CA GLU A 90 -12.785 -51.727 -34.415 1.00 54.31 C ATOM 1437 C GLU A 90 -12.310 -52.214 -35.781 1.00 34.00 C ATOM 1438 O GLU A 90 -12.665 -53.308 -36.219 1.00 60.33 O ATOM 1439 CB GLU A 90 -13.885 -50.677 -34.590 1.00 44.31 C ATOM 1440 CG GLU A 90 -14.837 -50.589 -33.409 1.00 65.40 C ATOM 1441 CD GLU A 90 -15.667 -49.321 -33.421 1.00 42.44 C ATOM 1442 OE1 GLU A 90 -15.719 -48.655 -34.477 1.00 20.33 O ATOM 1443 OE2 GLU A 90 -16.265 -48.993 -32.375 1.00 23.52 O ATOM 0 H GLU A 90 -11.714 -50.165 -33.514 1.00 33.31 H new ATOM 0 HA GLU A 90 -13.188 -52.577 -33.865 1.00 54.31 H new ATOM 0 HB2 GLU A 90 -13.423 -49.702 -34.747 1.00 44.31 H new ATOM 0 HB3 GLU A 90 -14.456 -50.908 -35.489 1.00 44.31 H new ATOM 0 HG2 GLU A 90 -15.501 -51.453 -33.418 1.00 65.40 H new ATOM 0 HG3 GLU A 90 -14.265 -50.636 -32.482 1.00 65.40 H new ATOM 1450 N SER A 91 -11.506 -51.393 -36.449 1.00 32.02 N ATOM 1451 CA SER A 91 -10.986 -51.737 -37.767 1.00 24.43 C ATOM 1452 C SER A 91 -10.149 -53.012 -37.704 1.00 51.13 C ATOM 1453 O SER A 91 -10.270 -53.889 -38.559 1.00 34.13 O ATOM 1454 CB SER A 91 -10.143 -50.588 -38.322 1.00 0.51 C ATOM 1455 OG SER A 91 -8.958 -50.412 -37.565 1.00 63.24 O ATOM 0 H SER A 91 -11.201 -50.485 -36.099 1.00 32.02 H new ATOM 0 HA SER A 91 -11.833 -51.910 -38.431 1.00 24.43 H new ATOM 0 HB2 SER A 91 -9.887 -50.790 -39.362 1.00 0.51 H new ATOM 0 HB3 SER A 91 -10.726 -49.667 -38.310 1.00 0.51 H new ATOM 0 HG SER A 91 -9.169 -49.941 -36.732 1.00 63.24 H new ATOM 1461 N MET A 92 -9.300 -53.106 -36.686 1.00 52.40 N ATOM 1462 CA MET A 92 -8.444 -54.273 -36.511 1.00 2.14 C ATOM 1463 C MET A 92 -9.269 -55.503 -36.147 1.00 33.00 C ATOM 1464 O MET A 92 -9.032 -56.597 -36.660 1.00 3.22 O ATOM 1465 CB MET A 92 -7.399 -54.007 -35.426 1.00 4.34 C ATOM 1466 CG MET A 92 -6.057 -53.547 -35.974 1.00 33.34 C ATOM 1467 SD MET A 92 -4.686 -53.934 -34.868 1.00 51.14 S ATOM 1468 CE MET A 92 -5.385 -53.467 -33.286 1.00 64.44 C ATOM 0 H MET A 92 -9.187 -52.388 -35.970 1.00 52.40 H new ATOM 0 HA MET A 92 -7.936 -54.465 -37.456 1.00 2.14 H new ATOM 0 HB2 MET A 92 -7.782 -53.249 -34.742 1.00 4.34 H new ATOM 0 HB3 MET A 92 -7.252 -54.917 -34.844 1.00 4.34 H new ATOM 0 HG2 MET A 92 -5.883 -54.019 -36.941 1.00 33.34 H new ATOM 0 HG3 MET A 92 -6.088 -52.471 -36.145 1.00 33.34 H new ATOM 0 HE1 MET A 92 -4.584 -53.340 -32.558 1.00 64.44 H new ATOM 0 HE2 MET A 92 -5.931 -52.530 -33.392 1.00 64.44 H new ATOM 0 HE3 MET A 92 -6.066 -54.247 -32.945 1.00 64.44 H new ATOM 1478 N LYS A 93 -10.240 -55.317 -35.259 1.00 21.32 N ATOM 1479 CA LYS A 93 -11.102 -56.411 -34.827 1.00 22.14 C ATOM 1480 C LYS A 93 -12.121 -56.760 -35.907 1.00 1.05 C ATOM 1481 O LYS A 93 -12.767 -57.806 -35.848 1.00 74.13 O ATOM 1482 CB LYS A 93 -11.824 -56.037 -33.530 1.00 52.24 C ATOM 1483 CG LYS A 93 -13.173 -55.376 -33.755 1.00 53.00 C ATOM 1484 CD LYS A 93 -14.302 -56.393 -33.741 1.00 62.30 C ATOM 1485 CE LYS A 93 -15.358 -56.040 -32.705 1.00 24.34 C ATOM 1486 NZ LYS A 93 -16.163 -54.857 -33.114 1.00 52.34 N ATOM 0 H LYS A 93 -10.450 -54.418 -34.824 1.00 21.32 H new ATOM 0 HA LYS A 93 -10.476 -57.285 -34.648 1.00 22.14 H new ATOM 0 HB2 LYS A 93 -11.965 -56.936 -32.930 1.00 52.24 H new ATOM 0 HB3 LYS A 93 -11.191 -55.364 -32.952 1.00 52.24 H new ATOM 0 HG2 LYS A 93 -13.346 -54.628 -32.981 1.00 53.00 H new ATOM 0 HG3 LYS A 93 -13.167 -54.851 -34.710 1.00 53.00 H new ATOM 0 HD2 LYS A 93 -14.761 -56.442 -34.728 1.00 62.30 H new ATOM 0 HD3 LYS A 93 -13.899 -57.383 -33.528 1.00 62.30 H new ATOM 0 HE2 LYS A 93 -16.018 -56.894 -32.554 1.00 24.34 H new ATOM 0 HE3 LYS A 93 -14.875 -55.838 -31.749 1.00 24.34 H new ATOM 0 HZ1 LYS A 93 -16.871 -54.649 -32.381 1.00 52.34 H new ATOM 0 HZ2 LYS A 93 -15.537 -54.035 -33.233 1.00 52.34 H new ATOM 0 HZ3 LYS A 93 -16.644 -55.059 -34.014 1.00 52.34 H new ATOM 1500 N ARG A 94 -12.258 -55.878 -36.891 1.00 71.24 N ATOM 1501 CA ARG A 94 -13.198 -56.094 -37.984 1.00 54.15 C ATOM 1502 C ARG A 94 -12.528 -56.830 -39.141 1.00 32.11 C ATOM 1503 O ARG A 94 -13.162 -57.625 -39.835 1.00 14.04 O ATOM 1504 CB ARG A 94 -13.760 -54.758 -38.474 1.00 2.43 C ATOM 1505 CG ARG A 94 -14.807 -54.900 -39.566 1.00 64.14 C ATOM 1506 CD ARG A 94 -15.947 -53.912 -39.377 1.00 73.34 C ATOM 1507 NE ARG A 94 -16.967 -54.048 -40.414 1.00 65.35 N ATOM 1508 CZ ARG A 94 -17.914 -54.979 -40.396 1.00 63.54 C ATOM 1509 NH1 ARG A 94 -17.971 -55.852 -39.400 1.00 14.23 N ATOM 1510 NH2 ARG A 94 -18.806 -55.039 -41.377 1.00 20.03 N ATOM 0 H ARG A 94 -11.730 -55.007 -36.954 1.00 71.24 H new ATOM 0 HA ARG A 94 -14.016 -56.709 -37.609 1.00 54.15 H new ATOM 0 HB2 ARG A 94 -14.198 -54.227 -37.629 1.00 2.43 H new ATOM 0 HB3 ARG A 94 -12.940 -54.144 -38.846 1.00 2.43 H new ATOM 0 HG2 ARG A 94 -14.343 -54.740 -40.539 1.00 64.14 H new ATOM 0 HG3 ARG A 94 -15.201 -55.916 -39.564 1.00 64.14 H new ATOM 0 HD2 ARG A 94 -16.402 -54.066 -38.399 1.00 73.34 H new ATOM 0 HD3 ARG A 94 -15.552 -52.896 -39.388 1.00 73.34 H new ATOM 0 HE ARG A 94 -16.951 -53.392 -41.195 1.00 65.35 H new ATOM 0 HH11 ARG A 94 -17.287 -55.810 -38.645 1.00 14.23 H new ATOM 0 HH12 ARG A 94 -18.699 -56.566 -39.389 1.00 14.23 H new ATOM 0 HH21 ARG A 94 -18.765 -54.370 -42.146 1.00 20.03 H new ATOM 0 HH22 ARG A 94 -19.533 -55.754 -41.362 1.00 20.03 H new ATOM 1524 N SER A 95 -11.243 -56.559 -39.342 1.00 64.33 N ATOM 1525 CA SER A 95 -10.487 -57.192 -40.417 1.00 74.51 C ATOM 1526 C SER A 95 -9.816 -58.472 -39.928 1.00 65.03 C ATOM 1527 O SER A 95 -9.451 -59.338 -40.724 1.00 22.01 O ATOM 1528 CB SER A 95 -9.434 -56.228 -40.966 1.00 55.21 C ATOM 1529 OG SER A 95 -9.893 -54.888 -40.913 1.00 72.10 O ATOM 0 H SER A 95 -10.703 -55.905 -38.775 1.00 64.33 H new ATOM 0 HA SER A 95 -11.184 -57.449 -41.215 1.00 74.51 H new ATOM 0 HB2 SER A 95 -8.513 -56.324 -40.390 1.00 55.21 H new ATOM 0 HB3 SER A 95 -9.195 -56.493 -41.996 1.00 55.21 H new ATOM 0 HG SER A 95 -9.688 -54.507 -40.034 1.00 72.10 H new ATOM 1535 N TYR A 96 -9.655 -58.584 -38.614 1.00 53.44 N ATOM 1536 CA TYR A 96 -9.025 -59.755 -38.018 1.00 73.50 C ATOM 1537 C TYR A 96 -10.066 -60.814 -37.666 1.00 12.31 C ATOM 1538 O TYR A 96 -9.930 -61.981 -38.032 1.00 33.32 O ATOM 1539 CB TYR A 96 -8.242 -59.358 -36.766 1.00 12.33 C ATOM 1540 CG TYR A 96 -7.679 -60.536 -36.004 1.00 32.21 C ATOM 1541 CD1 TYR A 96 -7.092 -61.604 -36.672 1.00 55.00 C ATOM 1542 CD2 TYR A 96 -7.735 -60.583 -34.616 1.00 44.54 C ATOM 1543 CE1 TYR A 96 -6.577 -62.683 -35.980 1.00 73.24 C ATOM 1544 CE2 TYR A 96 -7.221 -61.657 -33.917 1.00 3.15 C ATOM 1545 CZ TYR A 96 -6.643 -62.705 -34.603 1.00 13.22 C ATOM 1546 OH TYR A 96 -6.132 -63.777 -33.909 1.00 65.53 O ATOM 0 H TYR A 96 -9.953 -57.877 -37.941 1.00 53.44 H new ATOM 0 HA TYR A 96 -8.336 -60.177 -38.750 1.00 73.50 H new ATOM 0 HB2 TYR A 96 -7.424 -58.698 -37.054 1.00 12.33 H new ATOM 0 HB3 TYR A 96 -8.895 -58.787 -36.105 1.00 12.33 H new ATOM 0 HD1 TYR A 96 -7.038 -61.590 -37.751 1.00 55.00 H new ATOM 0 HD2 TYR A 96 -8.188 -59.765 -34.075 1.00 44.54 H new ATOM 0 HE1 TYR A 96 -6.125 -63.505 -36.515 1.00 73.24 H new ATOM 0 HE2 TYR A 96 -7.271 -61.677 -32.838 1.00 3.15 H new ATOM 0 HH TYR A 96 -6.258 -63.634 -32.948 1.00 65.53 H new