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= -1.51 K(o=-1.5,f=-2.4!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 80:sc= 0.774 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= -0.382 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.504 X(o=-0.5,f=-0.034) USER MOD Single : A 75 THR OG1 : rot -160:sc= -0.858 USER MOD Single : A 79 LYS NZ :NH3+ 167:sc= -0.0974 (180deg=-0.367) USER MOD Single : A 81 SER OG : rot 86:sc= 0.378 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= 0.278 USER MOD Single : A 92 MET CE :methyl 161:sc=-0.00328 (180deg=-0.507) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 76:sc= 1.15 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 215 N ILE A 14 -2.473 -5.135 16.507 1.00 10.20 N ATOM 216 CA ILE A 14 -3.165 -4.448 17.591 1.00 64.20 C ATOM 217 C ILE A 14 -4.672 -4.436 17.361 1.00 60.31 C ATOM 218 O ILE A 14 -5.441 -4.909 18.198 1.00 74.31 O ATOM 219 CB ILE A 14 -2.669 -2.998 17.746 1.00 62.40 C ATOM 220 CG1 ILE A 14 -1.219 -2.982 18.236 1.00 53.44 C ATOM 221 CG2 ILE A 14 -3.567 -2.231 18.705 1.00 25.33 C ATOM 222 CD1 ILE A 14 -1.047 -3.538 19.632 1.00 44.23 C ATOM 0 HA ILE A 14 -2.944 -4.999 18.505 1.00 64.20 H new ATOM 0 HB ILE A 14 -2.709 -2.509 16.773 1.00 62.40 H new ATOM 0 HG12 ILE A 14 -0.604 -3.559 17.545 1.00 53.44 H new ATOM 0 HG13 ILE A 14 -0.848 -1.957 18.213 1.00 53.44 H new ATOM 0 HG21 ILE A 14 -3.204 -1.208 18.804 1.00 25.33 H new ATOM 0 HG22 ILE A 14 -4.586 -2.218 18.318 1.00 25.33 H new ATOM 0 HG23 ILE A 14 -3.556 -2.716 19.681 1.00 25.33 H new ATOM 0 HD11 ILE A 14 0.005 -3.496 19.913 1.00 44.23 H new ATOM 0 HD12 ILE A 14 -1.635 -2.947 20.334 1.00 44.23 H new ATOM 0 HD13 ILE A 14 -1.387 -4.573 19.656 1.00 44.23 H new ATOM 234 N ILE A 15 -5.087 -3.894 16.221 1.00 64.42 N ATOM 235 CA ILE A 15 -6.502 -3.824 15.879 1.00 1.14 C ATOM 236 C ILE A 15 -7.167 -5.190 16.006 1.00 22.33 C ATOM 237 O ILE A 15 -8.360 -5.288 16.288 1.00 13.13 O ATOM 238 CB ILE A 15 -6.710 -3.295 14.448 1.00 70.11 C ATOM 239 CG1 ILE A 15 -5.939 -1.989 14.246 1.00 13.23 C ATOM 240 CG2 ILE A 15 -8.192 -3.091 14.169 1.00 44.20 C ATOM 241 CD1 ILE A 15 -6.145 -0.987 15.361 1.00 35.41 C ATOM 0 H ILE A 15 -4.463 -3.497 15.518 1.00 64.42 H new ATOM 0 HA ILE A 15 -6.963 -3.132 16.584 1.00 1.14 H new ATOM 0 HB ILE A 15 -6.326 -4.033 13.744 1.00 70.11 H new ATOM 0 HG12 ILE A 15 -4.876 -2.214 14.162 1.00 13.23 H new ATOM 0 HG13 ILE A 15 -6.245 -1.538 13.302 1.00 13.23 H new ATOM 0 HG21 ILE A 15 -8.323 -2.717 13.154 1.00 44.20 H new ATOM 0 HG22 ILE A 15 -8.716 -4.040 14.276 1.00 44.20 H new ATOM 0 HG23 ILE A 15 -8.600 -2.369 14.877 1.00 44.20 H new ATOM 0 HD11 ILE A 15 -5.569 -0.086 15.151 1.00 35.41 H new ATOM 0 HD12 ILE A 15 -7.203 -0.733 15.431 1.00 35.41 H new ATOM 0 HD13 ILE A 15 -5.812 -1.419 16.305 1.00 35.41 H new ATOM 253 N GLY A 16 -6.384 -6.245 15.797 1.00 13.04 N ATOM 254 CA GLY A 16 -6.914 -7.593 15.895 1.00 52.55 C ATOM 255 C GLY A 16 -7.357 -7.941 17.302 1.00 72.35 C ATOM 256 O GLY A 16 -8.370 -8.616 17.492 1.00 20.04 O ATOM 0 H GLY A 16 -5.393 -6.190 15.562 1.00 13.04 H new ATOM 0 HA2 GLY A 16 -7.759 -7.698 15.215 1.00 52.55 H new ATOM 0 HA3 GLY A 16 -6.154 -8.303 15.571 1.00 52.55 H new ATOM 260 N LEU A 17 -6.597 -7.483 18.290 1.00 53.20 N ATOM 261 CA LEU A 17 -6.916 -7.752 19.688 1.00 51.40 C ATOM 262 C LEU A 17 -7.990 -6.794 20.195 1.00 24.15 C ATOM 263 O LEU A 17 -8.883 -7.187 20.946 1.00 62.42 O ATOM 264 CB LEU A 17 -5.659 -7.630 20.551 1.00 41.13 C ATOM 265 CG LEU A 17 -4.363 -8.150 19.926 1.00 15.14 C ATOM 266 CD1 LEU A 17 -3.199 -7.971 20.888 1.00 65.45 C ATOM 267 CD2 LEU A 17 -4.512 -9.612 19.531 1.00 45.35 C ATOM 0 H LEU A 17 -5.756 -6.924 18.149 1.00 53.20 H new ATOM 0 HA LEU A 17 -7.300 -8.770 19.758 1.00 51.40 H new ATOM 0 HB2 LEU A 17 -5.519 -6.580 20.808 1.00 41.13 H new ATOM 0 HB3 LEU A 17 -5.830 -8.167 21.484 1.00 41.13 H new ATOM 0 HG LEU A 17 -4.156 -7.571 19.026 1.00 15.14 H new ATOM 0 HD11 LEU A 17 -2.285 -8.346 20.427 1.00 65.45 H new ATOM 0 HD12 LEU A 17 -3.080 -6.913 21.122 1.00 65.45 H new ATOM 0 HD13 LEU A 17 -3.397 -8.525 21.805 1.00 65.45 H new ATOM 0 HD21 LEU A 17 -3.581 -9.966 19.088 1.00 45.35 H new ATOM 0 HD22 LEU A 17 -4.742 -10.206 20.415 1.00 45.35 H new ATOM 0 HD23 LEU A 17 -5.320 -9.713 18.806 1.00 45.35 H new ATOM 279 N VAL A 18 -7.897 -5.535 19.779 1.00 20.02 N ATOM 280 CA VAL A 18 -8.862 -4.522 20.189 1.00 41.43 C ATOM 281 C VAL A 18 -10.218 -4.758 19.535 1.00 75.24 C ATOM 282 O VAL A 18 -11.250 -4.320 20.043 1.00 12.43 O ATOM 283 CB VAL A 18 -8.373 -3.105 19.833 1.00 1.11 C ATOM 284 CG1 VAL A 18 -6.878 -2.977 20.084 1.00 32.11 C ATOM 285 CG2 VAL A 18 -8.709 -2.773 18.387 1.00 14.02 C ATOM 0 H VAL A 18 -7.163 -5.192 19.159 1.00 20.02 H new ATOM 0 HA VAL A 18 -8.965 -4.602 21.271 1.00 41.43 H new ATOM 0 HB VAL A 18 -8.888 -2.390 20.475 1.00 1.11 H new ATOM 0 HG11 VAL A 18 -6.551 -1.970 19.827 1.00 32.11 H new ATOM 0 HG12 VAL A 18 -6.668 -3.169 21.136 1.00 32.11 H new ATOM 0 HG13 VAL A 18 -6.343 -3.700 19.469 1.00 32.11 H new ATOM 0 HG21 VAL A 18 -8.356 -1.769 18.153 1.00 14.02 H new ATOM 0 HG22 VAL A 18 -8.223 -3.491 17.726 1.00 14.02 H new ATOM 0 HG23 VAL A 18 -9.789 -2.821 18.244 1.00 14.02 H new ATOM 295 N VAL A 19 -10.210 -5.456 18.403 1.00 51.30 N ATOM 296 CA VAL A 19 -11.440 -5.753 17.679 1.00 52.21 C ATOM 297 C VAL A 19 -11.962 -7.142 18.029 1.00 62.04 C ATOM 298 O VAL A 19 -13.119 -7.303 18.419 1.00 1.33 O ATOM 299 CB VAL A 19 -11.230 -5.664 16.156 1.00 55.43 C ATOM 300 CG1 VAL A 19 -12.444 -6.206 15.417 1.00 73.03 C ATOM 301 CG2 VAL A 19 -10.941 -4.229 15.741 1.00 0.23 C ATOM 0 H VAL A 19 -9.365 -5.826 17.968 1.00 51.30 H new ATOM 0 HA VAL A 19 -12.174 -5.006 17.981 1.00 52.21 H new ATOM 0 HB VAL A 19 -10.368 -6.276 15.889 1.00 55.43 H new ATOM 0 HG11 VAL A 19 -12.277 -6.135 14.342 1.00 73.03 H new ATOM 0 HG12 VAL A 19 -12.601 -7.249 15.692 1.00 73.03 H new ATOM 0 HG13 VAL A 19 -13.324 -5.623 15.687 1.00 73.03 H new ATOM 0 HG21 VAL A 19 -10.795 -4.185 14.662 1.00 0.23 H new ATOM 0 HG22 VAL A 19 -11.781 -3.593 16.020 1.00 0.23 H new ATOM 0 HG23 VAL A 19 -10.039 -3.880 16.244 1.00 0.23 H new ATOM 311 N LEU A 20 -11.101 -8.144 17.886 1.00 13.03 N ATOM 312 CA LEU A 20 -11.474 -9.522 18.188 1.00 54.32 C ATOM 313 C LEU A 20 -11.456 -9.774 19.692 1.00 55.10 C ATOM 314 O LEU A 20 -11.797 -10.862 20.153 1.00 33.33 O ATOM 315 CB LEU A 20 -10.525 -10.493 17.485 1.00 60.42 C ATOM 316 CG LEU A 20 -11.056 -11.911 17.266 1.00 10.40 C ATOM 317 CD1 LEU A 20 -12.518 -11.874 16.850 1.00 73.32 C ATOM 318 CD2 LEU A 20 -10.221 -12.638 16.223 1.00 65.12 C ATOM 0 H LEU A 20 -10.140 -8.028 17.563 1.00 13.03 H new ATOM 0 HA LEU A 20 -12.488 -9.686 17.823 1.00 54.32 H new ATOM 0 HB2 LEU A 20 -10.260 -10.072 16.515 1.00 60.42 H new ATOM 0 HB3 LEU A 20 -9.606 -10.557 18.067 1.00 60.42 H new ATOM 0 HG LEU A 20 -10.981 -12.456 18.207 1.00 10.40 H new ATOM 0 HD11 LEU A 20 -12.879 -12.891 16.699 1.00 73.32 H new ATOM 0 HD12 LEU A 20 -13.106 -11.393 17.631 1.00 73.32 H new ATOM 0 HD13 LEU A 20 -12.618 -11.312 15.922 1.00 73.32 H new ATOM 0 HD21 LEU A 20 -10.613 -13.645 16.080 1.00 65.12 H new ATOM 0 HD22 LEU A 20 -10.264 -12.095 15.279 1.00 65.12 H new ATOM 0 HD23 LEU A 20 -9.186 -12.696 16.561 1.00 65.12 H new ATOM 330 N GLY A 21 -11.058 -8.759 20.453 1.00 51.34 N ATOM 331 CA GLY A 21 -11.005 -8.890 21.897 1.00 53.11 C ATOM 332 C GLY A 21 -9.961 -9.891 22.350 1.00 0.44 C ATOM 333 O GLY A 21 -9.857 -10.996 21.818 1.00 42.21 O ATOM 0 H GLY A 21 -10.771 -7.848 20.095 1.00 51.34 H new ATOM 0 HA2 GLY A 21 -10.788 -7.918 22.339 1.00 53.11 H new ATOM 0 HA3 GLY A 21 -11.983 -9.197 22.267 1.00 53.11 H new ATOM 337 N PRO A 22 -9.163 -9.504 23.356 1.00 5.23 N ATOM 338 CA PRO A 22 -8.106 -10.360 23.903 1.00 62.54 C ATOM 339 C PRO A 22 -8.665 -11.551 24.674 1.00 15.43 C ATOM 340 O PRO A 22 -7.913 -12.390 25.168 1.00 72.21 O ATOM 341 CB PRO A 22 -7.341 -9.425 24.843 1.00 75.12 C ATOM 342 CG PRO A 22 -8.334 -8.385 25.232 1.00 54.11 C ATOM 343 CD PRO A 22 -9.230 -8.200 24.038 1.00 33.44 C ATOM 0 HA PRO A 22 -7.488 -10.795 23.118 1.00 62.54 H new ATOM 0 HB2 PRO A 22 -6.966 -9.960 25.715 1.00 75.12 H new ATOM 0 HB3 PRO A 22 -6.478 -8.982 24.345 1.00 75.12 H new ATOM 0 HG2 PRO A 22 -8.907 -8.699 26.105 1.00 54.11 H new ATOM 0 HG3 PRO A 22 -7.838 -7.451 25.496 1.00 54.11 H new ATOM 0 HD2 PRO A 22 -10.249 -7.954 24.335 1.00 33.44 H new ATOM 0 HD3 PRO A 22 -8.881 -7.392 23.395 1.00 33.44 H new ATOM 351 N GLN A 23 -9.989 -11.616 24.774 1.00 72.15 N ATOM 352 CA GLN A 23 -10.648 -12.704 25.486 1.00 74.31 C ATOM 353 C GLN A 23 -10.394 -14.040 24.795 1.00 31.00 C ATOM 354 O GLN A 23 -10.219 -15.066 25.452 1.00 25.21 O ATOM 355 CB GLN A 23 -12.153 -12.443 25.579 1.00 23.35 C ATOM 356 CG GLN A 23 -12.775 -11.996 24.267 1.00 54.51 C ATOM 357 CD GLN A 23 -14.045 -12.754 23.934 1.00 22.43 C ATOM 358 OE1 GLN A 23 -14.652 -13.382 24.802 1.00 31.23 O ATOM 359 NE2 GLN A 23 -14.453 -12.701 22.672 1.00 55.30 N ATOM 0 H GLN A 23 -10.626 -10.928 24.371 1.00 72.15 H new ATOM 0 HA GLN A 23 -10.231 -12.751 26.492 1.00 74.31 H new ATOM 0 HB2 GLN A 23 -12.651 -13.352 25.916 1.00 23.35 H new ATOM 0 HB3 GLN A 23 -12.335 -11.680 26.336 1.00 23.35 H new ATOM 0 HG2 GLN A 23 -12.996 -10.930 24.319 1.00 54.51 H new ATOM 0 HG3 GLN A 23 -12.053 -12.133 23.462 1.00 54.51 H new ATOM 0 HE21 GLN A 23 -13.919 -12.168 21.985 1.00 55.30 H new ATOM 0 HE22 GLN A 23 -15.301 -13.193 22.389 1.00 55.30 H new ATOM 368 N ARG A 24 -10.376 -14.019 23.466 1.00 32.43 N ATOM 369 CA ARG A 24 -10.145 -15.229 22.686 1.00 31.35 C ATOM 370 C ARG A 24 -9.163 -14.964 21.549 1.00 11.22 C ATOM 371 O ARG A 24 -9.424 -15.309 20.396 1.00 51.32 O ATOM 372 CB ARG A 24 -11.465 -15.758 22.122 1.00 50.21 C ATOM 373 CG ARG A 24 -12.386 -14.666 21.602 1.00 1.25 C ATOM 374 CD ARG A 24 -12.036 -14.274 20.175 1.00 31.43 C ATOM 375 NE ARG A 24 -13.001 -13.332 19.614 1.00 63.41 N ATOM 376 CZ ARG A 24 -14.249 -13.659 19.298 1.00 21.43 C ATOM 377 NH1 ARG A 24 -14.681 -14.898 19.488 1.00 35.24 N ATOM 378 NH2 ARG A 24 -15.067 -12.746 18.792 1.00 75.12 N ATOM 0 H ARG A 24 -10.519 -13.178 22.907 1.00 32.43 H new ATOM 0 HA ARG A 24 -9.714 -15.980 23.347 1.00 31.35 H new ATOM 0 HB2 ARG A 24 -11.251 -16.457 21.313 1.00 50.21 H new ATOM 0 HB3 ARG A 24 -11.984 -16.319 22.899 1.00 50.21 H new ATOM 0 HG2 ARG A 24 -13.419 -15.010 21.643 1.00 1.25 H new ATOM 0 HG3 ARG A 24 -12.316 -13.791 22.248 1.00 1.25 H new ATOM 0 HD2 ARG A 24 -11.041 -13.829 20.155 1.00 31.43 H new ATOM 0 HD3 ARG A 24 -11.998 -15.168 19.552 1.00 31.43 H new ATOM 0 HE ARG A 24 -12.700 -12.370 19.456 1.00 63.41 H new ATOM 0 HH11 ARG A 24 -14.055 -15.602 19.878 1.00 35.24 H new ATOM 0 HH12 ARG A 24 -15.640 -15.147 19.245 1.00 35.24 H new ATOM 0 HH21 ARG A 24 -14.738 -11.792 18.645 1.00 75.12 H new ATOM 0 HH22 ARG A 24 -16.025 -12.998 18.550 1.00 75.12 H new ATOM 392 N LEU A 25 -8.034 -14.349 21.881 1.00 4.54 N ATOM 393 CA LEU A 25 -7.012 -14.036 20.888 1.00 1.22 C ATOM 394 C LEU A 25 -6.289 -15.300 20.434 1.00 50.20 C ATOM 395 O LEU A 25 -6.202 -15.601 19.243 1.00 11.04 O ATOM 396 CB LEU A 25 -6.005 -13.037 21.461 1.00 50.44 C ATOM 397 CG LEU A 25 -4.717 -12.847 20.658 1.00 14.21 C ATOM 398 CD1 LEU A 25 -3.673 -13.872 21.074 1.00 54.51 C ATOM 399 CD2 LEU A 25 -4.999 -12.946 19.166 1.00 54.50 C ATOM 0 H LEU A 25 -7.803 -14.057 22.830 1.00 4.54 H new ATOM 0 HA LEU A 25 -7.505 -13.591 20.024 1.00 1.22 H new ATOM 0 HB2 LEU A 25 -6.497 -12.069 21.555 1.00 50.44 H new ATOM 0 HB3 LEU A 25 -5.738 -13.358 22.468 1.00 50.44 H new ATOM 0 HG LEU A 25 -4.324 -11.852 20.868 1.00 14.21 H new ATOM 0 HD11 LEU A 25 -2.764 -13.722 20.492 1.00 54.51 H new ATOM 0 HD12 LEU A 25 -3.449 -13.754 22.134 1.00 54.51 H new ATOM 0 HD13 LEU A 25 -4.057 -14.876 20.894 1.00 54.51 H new ATOM 0 HD21 LEU A 25 -4.071 -12.808 18.610 1.00 54.50 H new ATOM 0 HD22 LEU A 25 -5.416 -13.927 18.939 1.00 54.50 H new ATOM 0 HD23 LEU A 25 -5.712 -12.173 18.878 1.00 54.50 H new ATOM 411 N PRO A 26 -5.759 -16.060 21.404 1.00 51.30 N ATOM 412 CA PRO A 26 -5.037 -17.305 21.128 1.00 21.24 C ATOM 413 C PRO A 26 -5.960 -18.412 20.630 1.00 23.33 C ATOM 414 O PRO A 26 -5.502 -19.485 20.236 1.00 73.10 O ATOM 415 CB PRO A 26 -4.440 -17.678 22.488 1.00 54.40 C ATOM 416 CG PRO A 26 -5.339 -17.032 23.486 1.00 71.34 C ATOM 417 CD PRO A 26 -5.825 -15.762 22.845 1.00 43.34 C ATOM 0 HA PRO A 26 -4.294 -17.179 20.341 1.00 21.24 H new ATOM 0 HB2 PRO A 26 -4.409 -18.759 22.624 1.00 54.40 H new ATOM 0 HB3 PRO A 26 -3.417 -17.316 22.584 1.00 54.40 H new ATOM 0 HG2 PRO A 26 -6.174 -17.685 23.740 1.00 71.34 H new ATOM 0 HG3 PRO A 26 -4.806 -16.822 24.413 1.00 71.34 H new ATOM 0 HD2 PRO A 26 -6.840 -15.516 23.158 1.00 43.34 H new ATOM 0 HD3 PRO A 26 -5.195 -14.912 23.109 1.00 43.34 H new ATOM 425 N VAL A 27 -7.262 -18.145 20.650 1.00 23.05 N ATOM 426 CA VAL A 27 -8.249 -19.118 20.199 1.00 30.42 C ATOM 427 C VAL A 27 -8.097 -19.405 18.710 1.00 70.24 C ATOM 428 O VAL A 27 -8.046 -20.562 18.292 1.00 55.42 O ATOM 429 CB VAL A 27 -9.684 -18.630 20.473 1.00 30.41 C ATOM 430 CG1 VAL A 27 -10.696 -19.534 19.785 1.00 21.22 C ATOM 431 CG2 VAL A 27 -9.947 -18.564 21.970 1.00 51.11 C ATOM 0 H VAL A 27 -7.658 -17.262 20.974 1.00 23.05 H new ATOM 0 HA VAL A 27 -8.071 -20.034 20.762 1.00 30.42 H new ATOM 0 HB VAL A 27 -9.792 -17.626 20.063 1.00 30.41 H new ATOM 0 HG11 VAL A 27 -11.704 -19.174 19.990 1.00 21.22 H new ATOM 0 HG12 VAL A 27 -10.519 -19.526 18.709 1.00 21.22 H new ATOM 0 HG13 VAL A 27 -10.591 -20.551 20.162 1.00 21.22 H new ATOM 0 HG21 VAL A 27 -10.965 -18.217 22.146 1.00 51.11 H new ATOM 0 HG22 VAL A 27 -9.821 -19.555 22.406 1.00 51.11 H new ATOM 0 HG23 VAL A 27 -9.243 -17.872 22.433 1.00 51.11 H new ATOM 441 N ALA A 28 -8.024 -18.344 17.913 1.00 72.12 N ATOM 442 CA ALA A 28 -7.875 -18.482 16.469 1.00 12.53 C ATOM 443 C ALA A 28 -6.568 -19.183 16.117 1.00 70.13 C ATOM 444 O ALA A 28 -6.558 -20.157 15.364 1.00 61.12 O ATOM 445 CB ALA A 28 -7.941 -17.117 15.800 1.00 55.14 C ATOM 0 H ALA A 28 -8.066 -17.380 18.243 1.00 72.12 H new ATOM 0 HA ALA A 28 -8.697 -19.096 16.100 1.00 12.53 H new ATOM 0 HB1 ALA A 28 -7.828 -17.234 14.722 1.00 55.14 H new ATOM 0 HB2 ALA A 28 -8.903 -16.652 16.016 1.00 55.14 H new ATOM 0 HB3 ALA A 28 -7.139 -16.485 16.182 1.00 55.14 H new ATOM 451 N VAL A 29 -5.466 -18.682 16.665 1.00 42.50 N ATOM 452 CA VAL A 29 -4.153 -19.261 16.408 1.00 4.34 C ATOM 453 C VAL A 29 -4.137 -20.751 16.730 1.00 2.20 C ATOM 454 O VAL A 29 -3.775 -21.575 15.890 1.00 74.11 O ATOM 455 CB VAL A 29 -3.058 -18.557 17.233 1.00 72.13 C ATOM 456 CG1 VAL A 29 -1.680 -19.060 16.830 1.00 32.04 C ATOM 457 CG2 VAL A 29 -3.154 -17.048 17.066 1.00 24.01 C ATOM 0 H VAL A 29 -5.456 -17.876 17.290 1.00 42.50 H new ATOM 0 HA VAL A 29 -3.946 -19.119 15.347 1.00 4.34 H new ATOM 0 HB VAL A 29 -3.211 -18.794 18.286 1.00 72.13 H new ATOM 0 HG11 VAL A 29 -0.919 -18.552 17.423 1.00 32.04 H new ATOM 0 HG12 VAL A 29 -1.619 -20.134 17.005 1.00 32.04 H new ATOM 0 HG13 VAL A 29 -1.513 -18.855 15.773 1.00 32.04 H new ATOM 0 HG21 VAL A 29 -2.374 -16.566 17.655 1.00 24.01 H new ATOM 0 HG22 VAL A 29 -3.027 -16.789 16.015 1.00 24.01 H new ATOM 0 HG23 VAL A 29 -4.131 -16.705 17.408 1.00 24.01 H new ATOM 467 N LYS A 30 -4.532 -21.091 17.952 1.00 3.23 N ATOM 468 CA LYS A 30 -4.565 -22.482 18.387 1.00 74.34 C ATOM 469 C LYS A 30 -5.397 -23.331 17.430 1.00 12.21 C ATOM 470 O LYS A 30 -4.979 -24.414 17.020 1.00 43.13 O ATOM 471 CB LYS A 30 -5.137 -22.582 19.803 1.00 71.33 C ATOM 472 CG LYS A 30 -4.224 -22.003 20.869 1.00 14.34 C ATOM 473 CD LYS A 30 -3.555 -23.096 21.685 1.00 61.22 C ATOM 474 CE LYS A 30 -2.198 -22.650 22.208 1.00 71.12 C ATOM 475 NZ LYS A 30 -1.452 -23.772 22.841 1.00 25.13 N ATOM 0 H LYS A 30 -4.834 -20.421 18.659 1.00 3.23 H new ATOM 0 HA LYS A 30 -3.543 -22.861 18.387 1.00 74.34 H new ATOM 0 HB2 LYS A 30 -6.095 -22.064 19.836 1.00 71.33 H new ATOM 0 HB3 LYS A 30 -5.333 -23.629 20.034 1.00 71.33 H new ATOM 0 HG2 LYS A 30 -3.462 -21.381 20.398 1.00 14.34 H new ATOM 0 HG3 LYS A 30 -4.800 -21.355 21.530 1.00 14.34 H new ATOM 0 HD2 LYS A 30 -4.196 -23.371 22.522 1.00 61.22 H new ATOM 0 HD3 LYS A 30 -3.434 -23.988 21.070 1.00 61.22 H new ATOM 0 HE2 LYS A 30 -1.609 -22.240 21.387 1.00 71.12 H new ATOM 0 HE3 LYS A 30 -2.334 -21.849 22.934 1.00 71.12 H new ATOM 0 HZ1 LYS A 30 -0.533 -23.428 23.185 1.00 25.13 H new ATOM 0 HZ2 LYS A 30 -2.002 -24.147 23.640 1.00 25.13 H new ATOM 0 HZ3 LYS A 30 -1.300 -24.526 22.141 1.00 25.13 H new ATOM 489 N THR A 31 -6.578 -22.831 17.077 1.00 64.52 N ATOM 490 CA THR A 31 -7.468 -23.543 16.168 1.00 23.35 C ATOM 491 C THR A 31 -6.777 -23.840 14.842 1.00 30.44 C ATOM 492 O THR A 31 -6.545 -24.999 14.497 1.00 34.34 O ATOM 493 CB THR A 31 -8.753 -22.739 15.896 1.00 2.00 C ATOM 494 OG1 THR A 31 -9.548 -22.668 17.085 1.00 4.10 O ATOM 495 CG2 THR A 31 -9.562 -23.375 14.776 1.00 32.21 C ATOM 0 H THR A 31 -6.940 -21.936 17.407 1.00 64.52 H new ATOM 0 HA THR A 31 -7.732 -24.482 16.655 1.00 23.35 H new ATOM 0 HB THR A 31 -8.467 -21.732 15.590 1.00 2.00 H new ATOM 0 HG1 THR A 31 -9.191 -21.973 17.676 1.00 4.10 H new ATOM 0 HG21 THR A 31 -10.465 -22.790 14.602 1.00 32.21 H new ATOM 0 HG22 THR A 31 -8.965 -23.400 13.865 1.00 32.21 H new ATOM 0 HG23 THR A 31 -9.837 -24.391 15.058 1.00 32.21 H new ATOM 503 N VAL A 32 -6.449 -22.786 14.102 1.00 71.31 N ATOM 504 CA VAL A 32 -5.783 -22.934 12.814 1.00 63.54 C ATOM 505 C VAL A 32 -4.611 -23.906 12.909 1.00 15.23 C ATOM 506 O VAL A 32 -4.613 -24.960 12.274 1.00 4.13 O ATOM 507 CB VAL A 32 -5.271 -21.580 12.287 1.00 22.45 C ATOM 508 CG1 VAL A 32 -4.665 -21.740 10.901 1.00 35.42 C ATOM 509 CG2 VAL A 32 -6.395 -20.556 12.272 1.00 10.24 C ATOM 0 H VAL A 32 -6.634 -21.820 14.373 1.00 71.31 H new ATOM 0 HA VAL A 32 -6.524 -23.329 12.119 1.00 63.54 H new ATOM 0 HB VAL A 32 -4.491 -21.220 12.958 1.00 22.45 H new ATOM 0 HG11 VAL A 32 -4.309 -20.773 10.546 1.00 35.42 H new ATOM 0 HG12 VAL A 32 -3.830 -22.439 10.947 1.00 35.42 H new ATOM 0 HG13 VAL A 32 -5.421 -22.123 10.215 1.00 35.42 H new ATOM 0 HG21 VAL A 32 -6.016 -19.605 11.897 1.00 10.24 H new ATOM 0 HG22 VAL A 32 -7.198 -20.907 11.625 1.00 10.24 H new ATOM 0 HG23 VAL A 32 -6.777 -20.421 13.284 1.00 10.24 H new ATOM 519 N ALA A 33 -3.613 -23.543 13.708 1.00 60.21 N ATOM 520 CA ALA A 33 -2.436 -24.384 13.889 1.00 0.31 C ATOM 521 C ALA A 33 -2.827 -25.782 14.355 1.00 25.21 C ATOM 522 O ALA A 33 -2.074 -26.739 14.177 1.00 20.04 O ATOM 523 CB ALA A 33 -1.478 -23.743 14.882 1.00 4.11 C ATOM 0 H ALA A 33 -3.596 -22.673 14.240 1.00 60.21 H new ATOM 0 HA ALA A 33 -1.935 -24.478 12.926 1.00 0.31 H new ATOM 0 HB1 ALA A 33 -0.604 -24.381 15.008 1.00 4.11 H new ATOM 0 HB2 ALA A 33 -1.165 -22.768 14.508 1.00 4.11 H new ATOM 0 HB3 ALA A 33 -1.978 -23.620 15.842 1.00 4.11 H new ATOM 529 N GLY A 34 -4.009 -25.893 14.953 1.00 22.24 N ATOM 530 CA GLY A 34 -4.478 -27.179 15.437 1.00 41.35 C ATOM 531 C GLY A 34 -4.668 -28.184 14.318 1.00 32.01 C ATOM 532 O GLY A 34 -3.925 -29.161 14.220 1.00 53.44 O ATOM 0 H GLY A 34 -4.650 -25.116 15.111 1.00 22.24 H new ATOM 0 HA2 GLY A 34 -3.764 -27.575 16.159 1.00 41.35 H new ATOM 0 HA3 GLY A 34 -5.422 -27.043 15.964 1.00 41.35 H new ATOM 536 N TRP A 35 -5.666 -27.946 13.475 1.00 72.31 N ATOM 537 CA TRP A 35 -5.953 -28.840 12.359 1.00 62.33 C ATOM 538 C TRP A 35 -4.909 -28.689 11.258 1.00 25.11 C ATOM 539 O TRP A 35 -4.757 -29.568 10.409 1.00 22.23 O ATOM 540 CB TRP A 35 -7.348 -28.558 11.798 1.00 65.13 C ATOM 541 CG TRP A 35 -7.603 -27.103 11.546 1.00 14.22 C ATOM 542 CD1 TRP A 35 -8.108 -26.194 12.432 1.00 33.42 C ATOM 543 CD2 TRP A 35 -7.368 -26.390 10.327 1.00 13.53 C ATOM 544 NE1 TRP A 35 -8.201 -24.959 11.837 1.00 33.34 N ATOM 545 CE2 TRP A 35 -7.753 -25.052 10.547 1.00 63.25 C ATOM 546 CE3 TRP A 35 -6.869 -26.750 9.073 1.00 43.40 C ATOM 547 CZ2 TRP A 35 -7.653 -24.078 9.557 1.00 14.30 C ATOM 548 CZ3 TRP A 35 -6.771 -25.781 8.092 1.00 70.41 C ATOM 549 CH2 TRP A 35 -7.161 -24.458 8.338 1.00 20.23 C ATOM 0 H TRP A 35 -6.290 -27.142 13.543 1.00 72.31 H new ATOM 0 HA TRP A 35 -5.918 -29.865 12.729 1.00 62.33 H new ATOM 0 HB2 TRP A 35 -7.475 -29.109 10.866 1.00 65.13 H new ATOM 0 HB3 TRP A 35 -8.096 -28.935 12.496 1.00 65.13 H new ATOM 0 HD1 TRP A 35 -8.392 -26.414 13.450 1.00 33.42 H new ATOM 0 HE1 TRP A 35 -8.548 -24.110 12.284 1.00 33.34 H new ATOM 0 HE3 TRP A 35 -6.565 -27.767 8.873 1.00 43.40 H new ATOM 0 HZ2 TRP A 35 -7.953 -23.058 9.745 1.00 14.30 H new ATOM 0 HZ3 TRP A 35 -6.387 -26.049 7.119 1.00 70.41 H new ATOM 0 HH2 TRP A 35 -7.072 -23.724 7.551 1.00 20.23 H new ATOM 560 N ILE A 36 -4.191 -27.571 11.279 1.00 54.25 N ATOM 561 CA ILE A 36 -3.161 -27.307 10.282 1.00 5.34 C ATOM 562 C ILE A 36 -1.956 -28.220 10.482 1.00 31.42 C ATOM 563 O ILE A 36 -1.498 -28.874 9.545 1.00 43.10 O ATOM 564 CB ILE A 36 -2.692 -25.840 10.332 1.00 32.41 C ATOM 565 CG1 ILE A 36 -3.654 -24.948 9.544 1.00 24.13 C ATOM 566 CG2 ILE A 36 -1.278 -25.717 9.785 1.00 60.22 C ATOM 567 CD1 ILE A 36 -3.675 -25.244 8.061 1.00 23.21 C ATOM 0 H ILE A 36 -4.304 -26.834 11.975 1.00 54.25 H new ATOM 0 HA ILE A 36 -3.607 -27.505 9.307 1.00 5.34 H new ATOM 0 HB ILE A 36 -2.688 -25.510 11.371 1.00 32.41 H new ATOM 0 HG12 ILE A 36 -4.660 -25.070 9.945 1.00 24.13 H new ATOM 0 HG13 ILE A 36 -3.375 -23.905 9.694 1.00 24.13 H new ATOM 0 HG21 ILE A 36 -0.961 -24.675 9.827 1.00 60.22 H new ATOM 0 HG22 ILE A 36 -0.602 -26.326 10.384 1.00 60.22 H new ATOM 0 HG23 ILE A 36 -1.257 -26.061 8.751 1.00 60.22 H new ATOM 0 HD11 ILE A 36 -4.378 -24.574 7.566 1.00 23.21 H new ATOM 0 HD12 ILE A 36 -2.678 -25.094 7.646 1.00 23.21 H new ATOM 0 HD13 ILE A 36 -3.983 -26.277 7.901 1.00 23.21 H new ATOM 579 N ARG A 37 -1.449 -28.262 11.710 1.00 32.11 N ATOM 580 CA ARG A 37 -0.298 -29.096 12.033 1.00 32.45 C ATOM 581 C ARG A 37 -0.680 -30.574 12.032 1.00 40.24 C ATOM 582 O ARG A 37 0.120 -31.431 11.659 1.00 61.33 O ATOM 583 CB ARG A 37 0.273 -28.708 13.399 1.00 53.05 C ATOM 584 CG ARG A 37 1.737 -29.075 13.573 1.00 44.52 C ATOM 585 CD ARG A 37 2.620 -28.324 12.588 1.00 5.34 C ATOM 586 NE ARG A 37 4.022 -28.323 13.000 1.00 14.14 N ATOM 587 CZ ARG A 37 4.801 -29.398 12.957 1.00 41.42 C ATOM 588 NH1 ARG A 37 4.319 -30.553 12.521 1.00 33.33 N ATOM 589 NH2 ARG A 37 6.066 -29.318 13.349 1.00 42.51 N ATOM 0 H ARG A 37 -1.817 -27.728 12.497 1.00 32.11 H new ATOM 0 HA ARG A 37 0.462 -28.934 11.269 1.00 32.45 H new ATOM 0 HB2 ARG A 37 0.157 -27.633 13.540 1.00 53.05 H new ATOM 0 HB3 ARG A 37 -0.311 -29.196 14.179 1.00 53.05 H new ATOM 0 HG2 ARG A 37 2.052 -28.848 14.592 1.00 44.52 H new ATOM 0 HG3 ARG A 37 1.864 -30.148 13.432 1.00 44.52 H new ATOM 0 HD2 ARG A 37 2.532 -28.780 11.602 1.00 5.34 H new ATOM 0 HD3 ARG A 37 2.268 -27.296 12.496 1.00 5.34 H new ATOM 0 HE ARG A 37 4.424 -27.449 13.339 1.00 14.14 H new ATOM 0 HH11 ARG A 37 3.347 -30.618 12.217 1.00 33.33 H new ATOM 0 HH12 ARG A 37 4.920 -31.377 12.489 1.00 33.33 H new ATOM 0 HH21 ARG A 37 6.441 -28.430 13.684 1.00 42.51 H new ATOM 0 HH22 ARG A 37 6.663 -30.144 13.316 1.00 42.51 H new ATOM 603 N ALA A 38 -1.907 -30.863 12.451 1.00 33.03 N ATOM 604 CA ALA A 38 -2.396 -32.236 12.497 1.00 45.34 C ATOM 605 C ALA A 38 -2.490 -32.831 11.096 1.00 74.20 C ATOM 606 O ALA A 38 -1.934 -33.896 10.824 1.00 50.11 O ATOM 607 CB ALA A 38 -3.749 -32.292 13.189 1.00 53.22 C ATOM 0 H ALA A 38 -2.581 -30.165 12.764 1.00 33.03 H new ATOM 0 HA ALA A 38 -1.684 -32.831 13.069 1.00 45.34 H new ATOM 0 HB1 ALA A 38 -4.102 -33.323 13.216 1.00 53.22 H new ATOM 0 HB2 ALA A 38 -3.653 -31.915 14.207 1.00 53.22 H new ATOM 0 HB3 ALA A 38 -4.464 -31.678 12.641 1.00 53.22 H new ATOM 613 N LEU A 39 -3.198 -32.139 10.211 1.00 54.34 N ATOM 614 CA LEU A 39 -3.367 -32.600 8.837 1.00 42.32 C ATOM 615 C LEU A 39 -2.030 -32.623 8.103 1.00 70.53 C ATOM 616 O LEU A 39 -1.757 -33.533 7.319 1.00 52.32 O ATOM 617 CB LEU A 39 -4.354 -31.699 8.093 1.00 11.41 C ATOM 618 CG LEU A 39 -3.801 -30.361 7.599 1.00 34.13 C ATOM 619 CD1 LEU A 39 -3.165 -30.520 6.228 1.00 64.45 C ATOM 620 CD2 LEU A 39 -4.902 -29.311 7.560 1.00 71.13 C ATOM 0 H LEU A 39 -3.665 -31.256 10.420 1.00 54.34 H new ATOM 0 HA LEU A 39 -3.763 -33.615 8.867 1.00 42.32 H new ATOM 0 HB2 LEU A 39 -4.741 -32.249 7.235 1.00 11.41 H new ATOM 0 HB3 LEU A 39 -5.200 -31.499 8.751 1.00 11.41 H new ATOM 0 HG LEU A 39 -3.033 -30.027 8.296 1.00 34.13 H new ATOM 0 HD11 LEU A 39 -2.777 -29.558 5.893 1.00 64.45 H new ATOM 0 HD12 LEU A 39 -2.348 -31.240 6.287 1.00 64.45 H new ATOM 0 HD13 LEU A 39 -3.912 -30.877 5.519 1.00 64.45 H new ATOM 0 HD21 LEU A 39 -4.491 -28.366 7.206 1.00 71.13 H new ATOM 0 HD22 LEU A 39 -5.693 -29.638 6.885 1.00 71.13 H new ATOM 0 HD23 LEU A 39 -5.312 -29.176 8.561 1.00 71.13 H new ATOM 632 N ARG A 40 -1.200 -31.619 8.364 1.00 65.33 N ATOM 633 CA ARG A 40 0.109 -31.526 7.729 1.00 44.44 C ATOM 634 C ARG A 40 0.973 -32.733 8.082 1.00 11.11 C ATOM 635 O ARG A 40 1.476 -33.429 7.200 1.00 52.31 O ATOM 636 CB ARG A 40 0.816 -30.237 8.155 1.00 32.41 C ATOM 637 CG ARG A 40 2.080 -29.946 7.364 1.00 44.41 C ATOM 638 CD ARG A 40 1.775 -29.174 6.090 1.00 74.25 C ATOM 639 NE ARG A 40 2.699 -29.512 5.010 1.00 11.43 N ATOM 640 CZ ARG A 40 2.446 -29.280 3.727 1.00 62.20 C ATOM 641 NH1 ARG A 40 1.304 -28.713 3.365 1.00 72.03 N ATOM 642 NH2 ARG A 40 3.337 -29.616 2.803 1.00 44.31 N ATOM 0 H ARG A 40 -1.410 -30.859 9.011 1.00 65.33 H new ATOM 0 HA ARG A 40 -0.040 -31.511 6.649 1.00 44.44 H new ATOM 0 HB2 ARG A 40 0.127 -29.400 8.043 1.00 32.41 H new ATOM 0 HB3 ARG A 40 1.067 -30.303 9.214 1.00 32.41 H new ATOM 0 HG2 ARG A 40 2.773 -29.373 7.981 1.00 44.41 H new ATOM 0 HG3 ARG A 40 2.577 -30.883 7.113 1.00 44.41 H new ATOM 0 HD2 ARG A 40 0.754 -29.386 5.773 1.00 74.25 H new ATOM 0 HD3 ARG A 40 1.830 -28.104 6.292 1.00 74.25 H new ATOM 0 HE ARG A 40 3.587 -29.950 5.255 1.00 11.43 H new ATOM 0 HH11 ARG A 40 0.617 -28.454 4.073 1.00 72.03 H new ATOM 0 HH12 ARG A 40 1.113 -28.536 2.379 1.00 72.03 H new ATOM 0 HH21 ARG A 40 4.217 -30.053 3.078 1.00 44.31 H new ATOM 0 HH22 ARG A 40 3.142 -29.438 1.818 1.00 44.31 H new ATOM 656 N SER A 41 1.141 -32.975 9.378 1.00 13.23 N ATOM 657 CA SER A 41 1.947 -34.095 9.849 1.00 72.22 C ATOM 658 C SER A 41 1.405 -35.417 9.314 1.00 75.11 C ATOM 659 O SER A 41 2.167 -36.298 8.914 1.00 32.21 O ATOM 660 CB SER A 41 1.975 -34.124 11.378 1.00 0.11 C ATOM 661 OG SER A 41 3.243 -33.729 11.872 1.00 11.44 O ATOM 0 H SER A 41 0.729 -32.410 10.121 1.00 13.23 H new ATOM 0 HA SER A 41 2.963 -33.961 9.477 1.00 72.22 H new ATOM 0 HB2 SER A 41 1.205 -33.461 11.772 1.00 0.11 H new ATOM 0 HB3 SER A 41 1.741 -35.129 11.730 1.00 0.11 H new ATOM 0 HG SER A 41 3.235 -33.754 12.852 1.00 11.44 H new ATOM 667 N LEU A 42 0.083 -35.548 9.310 1.00 74.33 N ATOM 668 CA LEU A 42 -0.564 -36.762 8.824 1.00 31.51 C ATOM 669 C LEU A 42 -0.243 -36.999 7.352 1.00 61.11 C ATOM 670 O LEU A 42 0.104 -38.110 6.953 1.00 74.42 O ATOM 671 CB LEU A 42 -2.079 -36.670 9.019 1.00 65.10 C ATOM 672 CG LEU A 42 -2.760 -37.918 9.581 1.00 13.25 C ATOM 673 CD1 LEU A 42 -4.033 -37.542 10.325 1.00 44.32 C ATOM 674 CD2 LEU A 42 -3.065 -38.908 8.467 1.00 44.25 C ATOM 0 H LEU A 42 -0.562 -34.829 9.638 1.00 74.33 H new ATOM 0 HA LEU A 42 -0.180 -37.604 9.400 1.00 31.51 H new ATOM 0 HB2 LEU A 42 -2.289 -35.834 9.686 1.00 65.10 H new ATOM 0 HB3 LEU A 42 -2.535 -36.433 8.058 1.00 65.10 H new ATOM 0 HG LEU A 42 -2.078 -38.394 10.286 1.00 13.25 H new ATOM 0 HD11 LEU A 42 -4.504 -38.443 10.718 1.00 44.32 H new ATOM 0 HD12 LEU A 42 -3.788 -36.871 11.149 1.00 44.32 H new ATOM 0 HD13 LEU A 42 -4.720 -37.042 9.642 1.00 44.32 H new ATOM 0 HD21 LEU A 42 -3.549 -39.790 8.886 1.00 44.25 H new ATOM 0 HD22 LEU A 42 -3.728 -38.442 7.738 1.00 44.25 H new ATOM 0 HD23 LEU A 42 -2.137 -39.202 7.978 1.00 44.25 H new ATOM 686 N ALA A 43 -0.358 -35.946 6.550 1.00 54.23 N ATOM 687 CA ALA A 43 -0.076 -36.038 5.123 1.00 52.14 C ATOM 688 C ALA A 43 1.360 -36.488 4.875 1.00 75.21 C ATOM 689 O ALA A 43 1.602 -37.466 4.166 1.00 53.52 O ATOM 690 CB ALA A 43 -0.336 -34.700 4.446 1.00 71.22 C ATOM 0 H ALA A 43 -0.645 -35.019 6.864 1.00 54.23 H new ATOM 0 HA ALA A 43 -0.743 -36.786 4.694 1.00 52.14 H new ATOM 0 HB1 ALA A 43 -0.121 -34.783 3.381 1.00 71.22 H new ATOM 0 HB2 ALA A 43 -1.380 -34.419 4.585 1.00 71.22 H new ATOM 0 HB3 ALA A 43 0.307 -33.938 4.887 1.00 71.22 H new ATOM 1082 N GLU A 67 -8.407 -39.335 -12.446 1.00 61.43 N ATOM 1083 CA GLU A 67 -7.944 -38.906 -13.761 1.00 3.35 C ATOM 1084 C GLU A 67 -8.843 -39.459 -14.862 1.00 54.31 C ATOM 1085 O GLU A 67 -9.235 -38.738 -15.780 1.00 71.13 O ATOM 1086 CB GLU A 67 -6.500 -39.359 -13.990 1.00 53.43 C ATOM 1087 CG GLU A 67 -5.464 -38.363 -13.497 1.00 12.13 C ATOM 1088 CD GLU A 67 -4.051 -38.909 -13.565 1.00 33.35 C ATOM 1089 OE1 GLU A 67 -3.721 -39.803 -12.757 1.00 44.33 O ATOM 1090 OE2 GLU A 67 -3.276 -38.443 -14.426 1.00 33.11 O ATOM 0 HA GLU A 67 -7.986 -37.817 -13.795 1.00 3.35 H new ATOM 0 HB2 GLU A 67 -6.343 -40.313 -13.486 1.00 53.43 H new ATOM 0 HB3 GLU A 67 -6.347 -39.532 -15.055 1.00 53.43 H new ATOM 0 HG2 GLU A 67 -5.527 -37.453 -14.094 1.00 12.13 H new ATOM 0 HG3 GLU A 67 -5.693 -38.085 -12.468 1.00 12.13 H new ATOM 1097 N LYS A 68 -9.167 -40.744 -14.764 1.00 41.31 N ATOM 1098 CA LYS A 68 -10.021 -41.396 -15.750 1.00 45.42 C ATOM 1099 C LYS A 68 -11.474 -40.963 -15.583 1.00 45.31 C ATOM 1100 O LYS A 68 -12.158 -40.662 -16.561 1.00 23.21 O ATOM 1101 CB LYS A 68 -9.913 -42.917 -15.622 1.00 44.23 C ATOM 1102 CG LYS A 68 -8.493 -43.440 -15.762 1.00 14.23 C ATOM 1103 CD LYS A 68 -8.157 -43.762 -17.208 1.00 75.20 C ATOM 1104 CE LYS A 68 -6.792 -44.421 -17.330 1.00 1.05 C ATOM 1105 NZ LYS A 68 -6.736 -45.376 -18.471 1.00 52.41 N ATOM 0 H LYS A 68 -8.851 -41.355 -14.011 1.00 41.31 H new ATOM 0 HA LYS A 68 -9.683 -41.096 -16.742 1.00 45.42 H new ATOM 0 HB2 LYS A 68 -10.309 -43.221 -14.653 1.00 44.23 H new ATOM 0 HB3 LYS A 68 -10.539 -43.383 -16.383 1.00 44.23 H new ATOM 0 HG2 LYS A 68 -7.792 -42.697 -15.381 1.00 14.23 H new ATOM 0 HG3 LYS A 68 -8.372 -44.335 -15.152 1.00 14.23 H new ATOM 0 HD2 LYS A 68 -8.919 -44.423 -17.621 1.00 75.20 H new ATOM 0 HD3 LYS A 68 -8.174 -42.846 -17.799 1.00 75.20 H new ATOM 0 HE2 LYS A 68 -6.029 -43.654 -17.461 1.00 1.05 H new ATOM 0 HE3 LYS A 68 -6.559 -44.947 -16.404 1.00 1.05 H new ATOM 0 HZ1 LYS A 68 -5.789 -45.804 -18.520 1.00 52.41 H new ATOM 0 HZ2 LYS A 68 -7.447 -46.123 -18.334 1.00 52.41 H new ATOM 0 HZ3 LYS A 68 -6.933 -44.869 -19.358 1.00 52.41 H new ATOM 1119 N ALA A 69 -11.938 -40.932 -14.338 1.00 43.12 N ATOM 1120 CA ALA A 69 -13.308 -40.532 -14.044 1.00 31.15 C ATOM 1121 C ALA A 69 -13.569 -39.097 -14.488 1.00 2.21 C ATOM 1122 O ALA A 69 -14.717 -38.694 -14.676 1.00 23.00 O ATOM 1123 CB ALA A 69 -13.595 -40.687 -12.557 1.00 50.14 C ATOM 0 H ALA A 69 -11.385 -41.179 -13.517 1.00 43.12 H new ATOM 0 HA ALA A 69 -13.979 -41.185 -14.603 1.00 31.15 H new ATOM 0 HB1 ALA A 69 -14.622 -40.385 -12.351 1.00 50.14 H new ATOM 0 HB2 ALA A 69 -13.458 -41.729 -12.267 1.00 50.14 H new ATOM 0 HB3 ALA A 69 -12.911 -40.059 -11.987 1.00 50.14 H new ATOM 1129 N SER A 70 -12.496 -38.329 -14.653 1.00 73.33 N ATOM 1130 CA SER A 70 -12.610 -36.937 -15.071 1.00 41.12 C ATOM 1131 C SER A 70 -12.258 -36.783 -16.548 1.00 13.52 C ATOM 1132 O SER A 70 -13.064 -36.297 -17.343 1.00 34.04 O ATOM 1133 CB SER A 70 -11.696 -36.051 -14.222 1.00 63.33 C ATOM 1134 OG SER A 70 -12.390 -34.913 -13.743 1.00 40.44 O ATOM 0 H SER A 70 -11.539 -38.648 -14.504 1.00 73.33 H new ATOM 0 HA SER A 70 -13.644 -36.623 -14.927 1.00 41.12 H new ATOM 0 HB2 SER A 70 -11.308 -36.625 -13.381 1.00 63.33 H new ATOM 0 HB3 SER A 70 -10.838 -35.735 -14.815 1.00 63.33 H new ATOM 0 HG SER A 70 -11.784 -34.364 -13.202 1.00 40.44 H new ATOM 1140 N LEU A 71 -11.049 -37.199 -16.908 1.00 54.20 N ATOM 1141 CA LEU A 71 -10.589 -37.108 -18.289 1.00 41.43 C ATOM 1142 C LEU A 71 -11.652 -37.625 -19.253 1.00 30.10 C ATOM 1143 O LEU A 71 -11.773 -37.142 -20.379 1.00 53.13 O ATOM 1144 CB LEU A 71 -9.293 -37.900 -18.469 1.00 4.32 C ATOM 1145 CG LEU A 71 -7.997 -37.091 -18.397 1.00 23.45 C ATOM 1146 CD1 LEU A 71 -7.722 -36.649 -16.968 1.00 35.04 C ATOM 1147 CD2 LEU A 71 -6.830 -37.905 -18.938 1.00 50.42 C ATOM 0 H LEU A 71 -10.370 -37.603 -16.263 1.00 54.20 H new ATOM 0 HA LEU A 71 -10.401 -36.058 -18.514 1.00 41.43 H new ATOM 0 HB2 LEU A 71 -9.256 -38.677 -17.705 1.00 4.32 H new ATOM 0 HB3 LEU A 71 -9.330 -38.404 -19.435 1.00 4.32 H new ATOM 0 HG LEU A 71 -8.112 -36.201 -19.015 1.00 23.45 H new ATOM 0 HD11 LEU A 71 -6.796 -36.075 -16.937 1.00 35.04 H new ATOM 0 HD12 LEU A 71 -8.546 -36.029 -16.614 1.00 35.04 H new ATOM 0 HD13 LEU A 71 -7.627 -37.526 -16.328 1.00 35.04 H new ATOM 0 HD21 LEU A 71 -5.916 -37.314 -18.879 1.00 50.42 H new ATOM 0 HD22 LEU A 71 -6.714 -38.813 -18.346 1.00 50.42 H new ATOM 0 HD23 LEU A 71 -7.023 -38.172 -19.977 1.00 50.42 H new ATOM 1159 N THR A 72 -12.423 -38.610 -18.802 1.00 62.25 N ATOM 1160 CA THR A 72 -13.477 -39.193 -19.624 1.00 4.44 C ATOM 1161 C THR A 72 -14.180 -38.125 -20.454 1.00 62.22 C ATOM 1162 O THR A 72 -14.588 -38.376 -21.587 1.00 62.13 O ATOM 1163 CB THR A 72 -14.521 -39.926 -18.761 1.00 3.04 C ATOM 1164 OG1 THR A 72 -14.685 -39.249 -17.509 1.00 64.24 O ATOM 1165 CG2 THR A 72 -14.102 -41.367 -18.512 1.00 63.14 C ATOM 0 H THR A 72 -12.337 -39.021 -17.872 1.00 62.25 H new ATOM 0 HA THR A 72 -12.999 -39.911 -20.290 1.00 4.44 H new ATOM 0 HB THR A 72 -15.468 -39.927 -19.300 1.00 3.04 H new ATOM 0 HG1 THR A 72 -15.351 -39.721 -16.967 1.00 64.24 H new ATOM 0 HG21 THR A 72 -14.855 -41.864 -17.900 1.00 63.14 H new ATOM 0 HG22 THR A 72 -14.006 -41.888 -19.465 1.00 63.14 H new ATOM 0 HG23 THR A 72 -13.144 -41.383 -17.992 1.00 63.14 H new ATOM 1173 N ASN A 73 -14.318 -36.933 -19.883 1.00 24.10 N ATOM 1174 CA ASN A 73 -14.972 -35.827 -20.572 1.00 1.42 C ATOM 1175 C ASN A 73 -14.569 -34.489 -19.958 1.00 31.21 C ATOM 1176 O ASN A 73 -15.350 -33.536 -19.952 1.00 25.24 O ATOM 1177 CB ASN A 73 -16.492 -35.990 -20.514 1.00 11.13 C ATOM 1178 CG ASN A 73 -16.945 -36.754 -19.285 1.00 21.32 C ATOM 1179 OD1 ASN A 73 -17.261 -37.942 -19.360 1.00 41.21 O ATOM 1180 ND2 ASN A 73 -16.979 -36.074 -18.145 1.00 24.55 N ATOM 0 H ASN A 73 -13.986 -36.708 -18.945 1.00 24.10 H new ATOM 0 HA ASN A 73 -14.651 -35.840 -21.614 1.00 1.42 H new ATOM 0 HB2 ASN A 73 -16.961 -35.006 -20.520 1.00 11.13 H new ATOM 0 HB3 ASN A 73 -16.833 -36.511 -21.409 1.00 11.13 H new ATOM 0 HD21 ASN A 73 -17.276 -36.535 -17.285 1.00 24.55 H new ATOM 0 HD22 ASN A 73 -16.708 -35.091 -18.129 1.00 24.55 H new ATOM 1187 N LEU A 74 -13.346 -34.425 -19.443 1.00 72.32 N ATOM 1188 CA LEU A 74 -12.838 -33.204 -18.827 1.00 72.51 C ATOM 1189 C LEU A 74 -11.667 -32.639 -19.624 1.00 52.22 C ATOM 1190 O LEU A 74 -10.969 -31.733 -19.166 1.00 72.32 O ATOM 1191 CB LEU A 74 -12.404 -33.479 -17.386 1.00 62.44 C ATOM 1192 CG LEU A 74 -13.526 -33.565 -16.352 1.00 33.34 C ATOM 1193 CD1 LEU A 74 -13.406 -32.438 -15.338 1.00 44.34 C ATOM 1194 CD2 LEU A 74 -14.885 -33.528 -17.035 1.00 15.31 C ATOM 0 H LEU A 74 -12.688 -35.204 -19.440 1.00 72.32 H new ATOM 0 HA LEU A 74 -13.641 -32.467 -18.824 1.00 72.51 H new ATOM 0 HB2 LEU A 74 -11.848 -34.416 -17.368 1.00 62.44 H new ATOM 0 HB3 LEU A 74 -11.714 -32.693 -17.079 1.00 62.44 H new ATOM 0 HG LEU A 74 -13.434 -34.513 -15.823 1.00 33.34 H new ATOM 0 HD11 LEU A 74 -14.214 -32.516 -14.610 1.00 44.34 H new ATOM 0 HD12 LEU A 74 -12.447 -32.511 -14.825 1.00 44.34 H new ATOM 0 HD13 LEU A 74 -13.471 -31.478 -15.851 1.00 44.34 H new ATOM 0 HD21 LEU A 74 -15.672 -33.590 -16.283 1.00 15.31 H new ATOM 0 HD22 LEU A 74 -14.987 -32.596 -17.591 1.00 15.31 H new ATOM 0 HD23 LEU A 74 -14.971 -34.371 -17.721 1.00 15.31 H new ATOM 1206 N THR A 75 -11.458 -33.177 -20.822 1.00 21.23 N ATOM 1207 CA THR A 75 -10.373 -32.726 -21.683 1.00 43.15 C ATOM 1208 C THR A 75 -10.540 -33.258 -23.102 1.00 41.43 C ATOM 1209 O THR A 75 -11.061 -34.351 -23.324 1.00 12.31 O ATOM 1210 CB THR A 75 -9.002 -33.170 -21.139 1.00 44.33 C ATOM 1211 OG1 THR A 75 -9.178 -34.021 -20.002 1.00 33.50 O ATOM 1212 CG2 THR A 75 -8.158 -31.965 -20.751 1.00 1.11 C ATOM 0 H THR A 75 -12.027 -33.926 -21.217 1.00 21.23 H new ATOM 0 HA THR A 75 -10.414 -31.637 -21.699 1.00 43.15 H new ATOM 0 HB THR A 75 -8.484 -33.719 -21.926 1.00 44.33 H new ATOM 0 HG1 THR A 75 -8.350 -34.042 -19.478 1.00 33.50 H new ATOM 0 HG21 THR A 75 -7.195 -32.303 -20.370 1.00 1.11 H new ATOM 0 HG22 THR A 75 -8.001 -31.334 -21.626 1.00 1.11 H new ATOM 0 HG23 THR A 75 -8.673 -31.393 -19.979 1.00 1.11 H new ATOM 1220 N PRO A 76 -10.087 -32.469 -24.088 1.00 13.50 N ATOM 1221 CA PRO A 76 -10.175 -32.841 -25.503 1.00 41.52 C ATOM 1222 C PRO A 76 -9.238 -33.989 -25.860 1.00 23.33 C ATOM 1223 O PRO A 76 -9.575 -34.846 -26.676 1.00 22.22 O ATOM 1224 CB PRO A 76 -9.755 -31.562 -26.233 1.00 12.14 C ATOM 1225 CG PRO A 76 -8.898 -30.833 -25.256 1.00 41.15 C ATOM 1226 CD PRO A 76 -9.455 -31.153 -23.897 1.00 3.43 C ATOM 0 HA PRO A 76 -11.171 -33.194 -25.770 1.00 41.52 H new ATOM 0 HB2 PRO A 76 -9.207 -31.790 -27.148 1.00 12.14 H new ATOM 0 HB3 PRO A 76 -10.622 -30.967 -26.520 1.00 12.14 H new ATOM 0 HG2 PRO A 76 -7.858 -31.150 -25.336 1.00 41.15 H new ATOM 0 HG3 PRO A 76 -8.919 -29.759 -25.443 1.00 41.15 H new ATOM 0 HD2 PRO A 76 -8.671 -31.190 -23.140 1.00 3.43 H new ATOM 0 HD3 PRO A 76 -10.177 -30.404 -23.572 1.00 3.43 H new ATOM 1234 N GLU A 77 -8.060 -34.000 -25.242 1.00 75.11 N ATOM 1235 CA GLU A 77 -7.075 -35.045 -25.496 1.00 11.41 C ATOM 1236 C GLU A 77 -7.717 -36.427 -25.424 1.00 22.21 C ATOM 1237 O GLU A 77 -7.326 -37.344 -26.148 1.00 30.14 O ATOM 1238 CB GLU A 77 -5.928 -34.950 -24.488 1.00 44.21 C ATOM 1239 CG GLU A 77 -4.653 -34.362 -25.070 1.00 71.24 C ATOM 1240 CD GLU A 77 -4.002 -33.351 -24.147 1.00 23.33 C ATOM 1241 OE1 GLU A 77 -3.646 -33.728 -23.010 1.00 52.35 O ATOM 1242 OE2 GLU A 77 -3.847 -32.183 -24.561 1.00 73.22 O ATOM 0 H GLU A 77 -7.765 -33.298 -24.563 1.00 75.11 H new ATOM 0 HA GLU A 77 -6.679 -34.900 -26.501 1.00 11.41 H new ATOM 0 HB2 GLU A 77 -6.247 -34.339 -23.644 1.00 44.21 H new ATOM 0 HB3 GLU A 77 -5.714 -35.945 -24.099 1.00 44.21 H new ATOM 0 HG2 GLU A 77 -3.948 -35.167 -25.276 1.00 71.24 H new ATOM 0 HG3 GLU A 77 -4.880 -33.885 -26.023 1.00 71.24 H new ATOM 1249 N LEU A 78 -8.703 -36.570 -24.546 1.00 14.22 N ATOM 1250 CA LEU A 78 -9.400 -37.840 -24.378 1.00 33.33 C ATOM 1251 C LEU A 78 -10.294 -38.135 -25.579 1.00 5.45 C ATOM 1252 O LEU A 78 -10.042 -39.069 -26.340 1.00 25.04 O ATOM 1253 CB LEU A 78 -10.238 -37.820 -23.098 1.00 4.33 C ATOM 1254 CG LEU A 78 -9.470 -38.018 -21.790 1.00 40.22 C ATOM 1255 CD1 LEU A 78 -8.420 -39.106 -21.948 1.00 24.35 C ATOM 1256 CD2 LEU A 78 -8.826 -36.712 -21.347 1.00 23.41 C ATOM 0 H LEU A 78 -9.038 -35.822 -23.939 1.00 14.22 H new ATOM 0 HA LEU A 78 -8.651 -38.629 -24.303 1.00 33.33 H new ATOM 0 HB2 LEU A 78 -10.764 -36.867 -23.047 1.00 4.33 H new ATOM 0 HB3 LEU A 78 -10.997 -38.599 -23.172 1.00 4.33 H new ATOM 0 HG LEU A 78 -10.175 -38.331 -21.020 1.00 40.22 H new ATOM 0 HD11 LEU A 78 -7.883 -39.233 -21.008 1.00 24.35 H new ATOM 0 HD12 LEU A 78 -8.906 -40.044 -22.218 1.00 24.35 H new ATOM 0 HD13 LEU A 78 -7.717 -38.822 -22.731 1.00 24.35 H new ATOM 0 HD21 LEU A 78 -8.284 -36.871 -20.415 1.00 23.41 H new ATOM 0 HD22 LEU A 78 -8.133 -36.369 -22.116 1.00 23.41 H new ATOM 0 HD23 LEU A 78 -9.599 -35.959 -21.193 1.00 23.41 H new ATOM 1268 N LYS A 79 -11.338 -37.330 -25.744 1.00 44.30 N ATOM 1269 CA LYS A 79 -12.267 -37.500 -26.854 1.00 74.21 C ATOM 1270 C LYS A 79 -11.519 -37.782 -28.153 1.00 5.02 C ATOM 1271 O LYS A 79 -11.956 -38.592 -28.969 1.00 71.13 O ATOM 1272 CB LYS A 79 -13.137 -36.251 -27.015 1.00 4.11 C ATOM 1273 CG LYS A 79 -14.091 -36.021 -25.856 1.00 54.03 C ATOM 1274 CD LYS A 79 -13.875 -34.660 -25.217 1.00 4.22 C ATOM 1275 CE LYS A 79 -14.071 -33.534 -26.221 1.00 73.50 C ATOM 1276 NZ LYS A 79 -15.361 -33.665 -26.955 1.00 4.14 N ATOM 0 H LYS A 79 -11.562 -36.553 -25.122 1.00 44.30 H new ATOM 0 HA LYS A 79 -12.906 -38.354 -26.631 1.00 74.21 H new ATOM 0 HB2 LYS A 79 -12.491 -35.380 -27.121 1.00 4.11 H new ATOM 0 HB3 LYS A 79 -13.712 -36.336 -27.937 1.00 4.11 H new ATOM 0 HG2 LYS A 79 -15.119 -36.099 -26.209 1.00 54.03 H new ATOM 0 HG3 LYS A 79 -13.951 -36.801 -25.108 1.00 54.03 H new ATOM 0 HD2 LYS A 79 -14.569 -34.533 -24.386 1.00 4.22 H new ATOM 0 HD3 LYS A 79 -12.868 -34.608 -24.802 1.00 4.22 H new ATOM 0 HE2 LYS A 79 -14.044 -32.576 -25.702 1.00 73.50 H new ATOM 0 HE3 LYS A 79 -13.246 -33.534 -26.933 1.00 73.50 H new ATOM 0 HZ1 LYS A 79 -15.564 -32.780 -27.462 1.00 4.14 H new ATOM 0 HZ2 LYS A 79 -15.294 -34.447 -27.637 1.00 4.14 H new ATOM 0 HZ3 LYS A 79 -16.127 -33.860 -26.279 1.00 4.14 H new ATOM 1290 N ALA A 80 -10.387 -37.109 -28.336 1.00 72.11 N ATOM 1291 CA ALA A 80 -9.576 -37.290 -29.534 1.00 32.14 C ATOM 1292 C ALA A 80 -8.919 -38.666 -29.549 1.00 32.12 C ATOM 1293 O ALA A 80 -8.976 -39.381 -30.550 1.00 0.45 O ATOM 1294 CB ALA A 80 -8.521 -36.198 -29.626 1.00 62.13 C ATOM 0 H ALA A 80 -10.011 -36.434 -27.670 1.00 72.11 H new ATOM 0 HA ALA A 80 -10.232 -37.220 -30.402 1.00 32.14 H new ATOM 0 HB1 ALA A 80 -7.922 -36.345 -30.525 1.00 62.13 H new ATOM 0 HB2 ALA A 80 -9.008 -35.224 -29.670 1.00 62.13 H new ATOM 0 HB3 ALA A 80 -7.875 -36.241 -28.749 1.00 62.13 H new ATOM 1300 N SER A 81 -8.295 -39.031 -28.433 1.00 72.24 N ATOM 1301 CA SER A 81 -7.623 -40.320 -28.320 1.00 71.44 C ATOM 1302 C SER A 81 -8.614 -41.467 -28.495 1.00 53.03 C ATOM 1303 O SER A 81 -8.360 -42.414 -29.239 1.00 42.32 O ATOM 1304 CB SER A 81 -6.924 -40.438 -26.965 1.00 11.14 C ATOM 1305 OG SER A 81 -5.723 -39.686 -26.943 1.00 53.21 O ATOM 0 H SER A 81 -8.241 -38.452 -27.595 1.00 72.24 H new ATOM 0 HA SER A 81 -6.877 -40.383 -29.112 1.00 71.44 H new ATOM 0 HB2 SER A 81 -7.590 -40.088 -26.177 1.00 11.14 H new ATOM 0 HB3 SER A 81 -6.705 -41.485 -26.755 1.00 11.14 H new ATOM 0 HG SER A 81 -5.921 -38.760 -26.690 1.00 53.21 H new ATOM 1311 N MET A 82 -9.745 -41.374 -27.804 1.00 14.51 N ATOM 1312 CA MET A 82 -10.776 -42.402 -27.883 1.00 73.12 C ATOM 1313 C MET A 82 -11.360 -42.479 -29.290 1.00 71.23 C ATOM 1314 O MET A 82 -11.608 -43.567 -29.811 1.00 23.01 O ATOM 1315 CB MET A 82 -11.889 -42.119 -26.872 1.00 5.43 C ATOM 1316 CG MET A 82 -11.374 -41.747 -25.491 1.00 23.04 C ATOM 1317 SD MET A 82 -12.081 -42.772 -24.187 1.00 14.23 S ATOM 1318 CE MET A 82 -10.706 -43.862 -23.829 1.00 32.10 C ATOM 0 H MET A 82 -9.971 -40.597 -27.183 1.00 14.51 H new ATOM 0 HA MET A 82 -10.315 -43.361 -27.646 1.00 73.12 H new ATOM 0 HB2 MET A 82 -12.513 -41.309 -27.248 1.00 5.43 H new ATOM 0 HB3 MET A 82 -12.526 -43.000 -26.788 1.00 5.43 H new ATOM 0 HG2 MET A 82 -10.288 -41.842 -25.474 1.00 23.04 H new ATOM 0 HG3 MET A 82 -11.605 -40.701 -25.291 1.00 23.04 H new ATOM 0 HE1 MET A 82 -10.989 -44.558 -23.039 1.00 32.10 H new ATOM 0 HE2 MET A 82 -10.441 -44.421 -24.727 1.00 32.10 H new ATOM 0 HE3 MET A 82 -9.849 -43.272 -23.503 1.00 32.10 H new ATOM 1328 N ASP A 83 -11.578 -41.319 -29.900 1.00 20.21 N ATOM 1329 CA ASP A 83 -12.132 -41.256 -31.247 1.00 52.23 C ATOM 1330 C ASP A 83 -11.215 -41.956 -32.245 1.00 75.15 C ATOM 1331 O ASP A 83 -11.681 -42.660 -33.141 1.00 23.31 O ATOM 1332 CB ASP A 83 -12.346 -39.800 -31.666 1.00 65.30 C ATOM 1333 CG ASP A 83 -13.649 -39.232 -31.140 1.00 5.54 C ATOM 1334 OD1 ASP A 83 -14.522 -40.027 -30.735 1.00 51.33 O ATOM 1335 OD2 ASP A 83 -13.795 -37.991 -31.133 1.00 31.12 O ATOM 0 H ASP A 83 -11.379 -40.410 -29.483 1.00 20.21 H new ATOM 0 HA ASP A 83 -13.093 -41.770 -31.242 1.00 52.23 H new ATOM 0 HB2 ASP A 83 -11.516 -39.194 -31.302 1.00 65.30 H new ATOM 0 HB3 ASP A 83 -12.337 -39.733 -32.754 1.00 65.30 H new ATOM 1340 N GLU A 84 -9.911 -41.756 -32.085 1.00 31.14 N ATOM 1341 CA GLU A 84 -8.930 -42.367 -32.974 1.00 21.35 C ATOM 1342 C GLU A 84 -8.825 -43.868 -32.718 1.00 62.10 C ATOM 1343 O GLU A 84 -8.638 -44.656 -33.646 1.00 41.13 O ATOM 1344 CB GLU A 84 -7.561 -41.710 -32.787 1.00 62.02 C ATOM 1345 CG GLU A 84 -7.323 -40.527 -33.711 1.00 1.05 C ATOM 1346 CD GLU A 84 -5.972 -40.585 -34.397 1.00 2.25 C ATOM 1347 OE1 GLU A 84 -5.045 -41.200 -33.829 1.00 2.11 O ATOM 1348 OE2 GLU A 84 -5.841 -40.015 -35.500 1.00 32.30 O ATOM 0 H GLU A 84 -9.509 -41.176 -31.348 1.00 31.14 H new ATOM 0 HA GLU A 84 -9.262 -42.213 -34.001 1.00 21.35 H new ATOM 0 HB2 GLU A 84 -7.465 -41.378 -31.753 1.00 62.02 H new ATOM 0 HB3 GLU A 84 -6.784 -42.455 -32.956 1.00 62.02 H new ATOM 0 HG2 GLU A 84 -8.109 -40.497 -34.466 1.00 1.05 H new ATOM 0 HG3 GLU A 84 -7.396 -39.603 -33.138 1.00 1.05 H new ATOM 1355 N LEU A 85 -8.945 -44.257 -31.453 1.00 55.35 N ATOM 1356 CA LEU A 85 -8.864 -45.663 -31.074 1.00 42.01 C ATOM 1357 C LEU A 85 -10.122 -46.415 -31.496 1.00 11.22 C ATOM 1358 O LEU A 85 -10.063 -47.590 -31.856 1.00 72.53 O ATOM 1359 CB LEU A 85 -8.660 -45.793 -29.564 1.00 34.04 C ATOM 1360 CG LEU A 85 -7.217 -45.981 -29.094 1.00 52.53 C ATOM 1361 CD1 LEU A 85 -6.555 -44.633 -28.853 1.00 42.15 C ATOM 1362 CD2 LEU A 85 -7.173 -46.832 -27.834 1.00 4.33 C ATOM 0 H LEU A 85 -9.099 -43.618 -30.673 1.00 55.35 H new ATOM 0 HA LEU A 85 -8.011 -46.104 -31.589 1.00 42.01 H new ATOM 0 HB2 LEU A 85 -9.063 -44.901 -29.085 1.00 34.04 H new ATOM 0 HB3 LEU A 85 -9.249 -46.639 -29.210 1.00 34.04 H new ATOM 0 HG LEU A 85 -6.664 -46.500 -29.877 1.00 52.53 H new ATOM 0 HD11 LEU A 85 -5.529 -44.786 -28.519 1.00 42.15 H new ATOM 0 HD12 LEU A 85 -6.553 -44.058 -29.779 1.00 42.15 H new ATOM 0 HD13 LEU A 85 -7.108 -44.088 -28.088 1.00 42.15 H new ATOM 0 HD21 LEU A 85 -6.138 -46.955 -27.514 1.00 4.33 H new ATOM 0 HD22 LEU A 85 -7.741 -46.342 -27.044 1.00 4.33 H new ATOM 0 HD23 LEU A 85 -7.608 -47.810 -28.040 1.00 4.33 H new ATOM 1374 N ARG A 86 -11.259 -45.728 -31.450 1.00 41.22 N ATOM 1375 CA ARG A 86 -12.531 -46.330 -31.828 1.00 74.45 C ATOM 1376 C ARG A 86 -12.618 -46.514 -33.341 1.00 24.32 C ATOM 1377 O ARG A 86 -12.931 -47.601 -33.826 1.00 63.00 O ATOM 1378 CB ARG A 86 -13.695 -45.464 -31.342 1.00 62.12 C ATOM 1379 CG ARG A 86 -14.910 -46.266 -30.905 1.00 2.21 C ATOM 1380 CD ARG A 86 -15.296 -45.952 -29.468 1.00 33.20 C ATOM 1381 NE ARG A 86 -16.743 -45.845 -29.301 1.00 73.42 N ATOM 1382 CZ ARG A 86 -17.547 -46.894 -29.165 1.00 63.51 C ATOM 1383 NH1 ARG A 86 -17.047 -48.122 -29.176 1.00 23.45 N ATOM 1384 NH2 ARG A 86 -18.853 -46.716 -29.018 1.00 33.33 N ATOM 0 H ARG A 86 -11.325 -44.754 -31.155 1.00 41.22 H new ATOM 0 HA ARG A 86 -12.594 -47.310 -31.355 1.00 74.45 H new ATOM 0 HB2 ARG A 86 -13.356 -44.850 -30.508 1.00 62.12 H new ATOM 0 HB3 ARG A 86 -13.988 -44.783 -32.141 1.00 62.12 H new ATOM 0 HG2 ARG A 86 -15.749 -46.046 -31.565 1.00 2.21 H new ATOM 0 HG3 ARG A 86 -14.699 -47.331 -31.002 1.00 2.21 H new ATOM 0 HD2 ARG A 86 -14.912 -46.732 -28.811 1.00 33.20 H new ATOM 0 HD3 ARG A 86 -14.826 -45.017 -29.162 1.00 33.20 H new ATOM 0 HE ARG A 86 -17.159 -44.914 -29.288 1.00 73.42 H new ATOM 0 HH11 ARG A 86 -16.043 -48.263 -29.289 1.00 23.45 H new ATOM 0 HH12 ARG A 86 -17.666 -48.926 -29.071 1.00 23.45 H new ATOM 0 HH21 ARG A 86 -19.241 -45.773 -29.009 1.00 33.33 H new ATOM 0 HH22 ARG A 86 -19.469 -47.522 -28.914 1.00 33.33 H new ATOM 1398 N GLN A 87 -12.338 -45.445 -34.079 1.00 12.33 N ATOM 1399 CA GLN A 87 -12.386 -45.489 -35.535 1.00 44.44 C ATOM 1400 C GLN A 87 -11.341 -46.454 -36.085 1.00 60.22 C ATOM 1401 O GLN A 87 -11.614 -47.217 -37.011 1.00 64.33 O ATOM 1402 CB GLN A 87 -12.162 -44.091 -36.116 1.00 64.43 C ATOM 1403 CG GLN A 87 -13.215 -43.080 -35.693 1.00 22.33 C ATOM 1404 CD GLN A 87 -14.037 -42.571 -36.860 1.00 11.52 C ATOM 1405 OE1 GLN A 87 -15.054 -43.163 -37.224 1.00 4.34 O ATOM 1406 NE2 GLN A 87 -13.601 -41.466 -37.454 1.00 10.11 N ATOM 0 H GLN A 87 -12.076 -44.538 -33.693 1.00 12.33 H new ATOM 0 HA GLN A 87 -13.373 -45.844 -35.830 1.00 44.44 H new ATOM 0 HB2 GLN A 87 -11.180 -43.731 -35.807 1.00 64.43 H new ATOM 0 HB3 GLN A 87 -12.150 -44.157 -37.204 1.00 64.43 H new ATOM 0 HG2 GLN A 87 -13.878 -43.537 -34.959 1.00 22.33 H new ATOM 0 HG3 GLN A 87 -12.728 -42.238 -35.202 1.00 22.33 H new ATOM 0 HE21 GLN A 87 -12.753 -41.008 -37.120 1.00 10.11 H new ATOM 0 HE22 GLN A 87 -14.114 -41.076 -38.245 1.00 10.11 H new ATOM 1415 N ALA A 88 -10.144 -46.415 -35.508 1.00 53.14 N ATOM 1416 CA ALA A 88 -9.059 -47.288 -35.940 1.00 14.53 C ATOM 1417 C ALA A 88 -9.369 -48.746 -35.622 1.00 21.43 C ATOM 1418 O ALA A 88 -9.161 -49.630 -36.452 1.00 62.24 O ATOM 1419 CB ALA A 88 -7.752 -46.868 -35.284 1.00 32.25 C ATOM 0 H ALA A 88 -9.901 -45.788 -34.741 1.00 53.14 H new ATOM 0 HA ALA A 88 -8.957 -47.193 -37.021 1.00 14.53 H new ATOM 0 HB1 ALA A 88 -6.950 -47.528 -35.615 1.00 32.25 H new ATOM 0 HB2 ALA A 88 -7.517 -45.842 -35.566 1.00 32.25 H new ATOM 0 HB3 ALA A 88 -7.851 -46.933 -34.200 1.00 32.25 H new ATOM 1425 N ALA A 89 -9.866 -48.991 -34.414 1.00 34.31 N ATOM 1426 CA ALA A 89 -10.206 -50.343 -33.987 1.00 64.22 C ATOM 1427 C ALA A 89 -11.405 -50.878 -34.761 1.00 74.44 C ATOM 1428 O ALA A 89 -11.417 -52.034 -35.184 1.00 30.02 O ATOM 1429 CB ALA A 89 -10.485 -50.370 -32.492 1.00 32.02 C ATOM 0 H ALA A 89 -10.042 -48.271 -33.714 1.00 34.31 H new ATOM 0 HA ALA A 89 -9.354 -50.989 -34.198 1.00 64.22 H new ATOM 0 HB1 ALA A 89 -10.737 -51.386 -32.187 1.00 32.02 H new ATOM 0 HB2 ALA A 89 -9.599 -50.038 -31.950 1.00 32.02 H new ATOM 0 HB3 ALA A 89 -11.319 -49.705 -32.265 1.00 32.02 H new ATOM 1435 N GLU A 90 -12.413 -50.030 -34.943 1.00 31.43 N ATOM 1436 CA GLU A 90 -13.618 -50.420 -35.665 1.00 72.51 C ATOM 1437 C GLU A 90 -13.319 -50.638 -37.146 1.00 3.34 C ATOM 1438 O GLU A 90 -13.680 -51.665 -37.719 1.00 31.54 O ATOM 1439 CB GLU A 90 -14.704 -49.354 -35.504 1.00 64.12 C ATOM 1440 CG GLU A 90 -15.513 -49.497 -34.226 1.00 63.11 C ATOM 1441 CD GLU A 90 -16.321 -48.255 -33.905 1.00 74.15 C ATOM 1442 OE1 GLU A 90 -16.577 -47.457 -34.831 1.00 65.23 O ATOM 1443 OE2 GLU A 90 -16.699 -48.082 -32.728 1.00 14.32 O ATOM 0 H GLU A 90 -12.419 -49.069 -34.600 1.00 31.43 H new ATOM 0 HA GLU A 90 -13.976 -51.359 -35.242 1.00 72.51 H new ATOM 0 HB2 GLU A 90 -14.239 -48.368 -35.521 1.00 64.12 H new ATOM 0 HB3 GLU A 90 -15.379 -49.403 -36.359 1.00 64.12 H new ATOM 0 HG2 GLU A 90 -16.186 -50.349 -34.320 1.00 63.11 H new ATOM 0 HG3 GLU A 90 -14.840 -49.712 -33.396 1.00 63.11 H new ATOM 1450 N SER A 91 -12.656 -49.662 -37.759 1.00 14.13 N ATOM 1451 CA SER A 91 -12.312 -49.743 -39.173 1.00 62.43 C ATOM 1452 C SER A 91 -11.496 -51.000 -39.462 1.00 72.02 C ATOM 1453 O SER A 91 -11.800 -51.751 -40.388 1.00 73.14 O ATOM 1454 CB SER A 91 -11.526 -48.502 -39.601 1.00 32.31 C ATOM 1455 OG SER A 91 -10.244 -48.477 -38.997 1.00 73.12 O ATOM 0 H SER A 91 -12.347 -48.806 -37.298 1.00 14.13 H new ATOM 0 HA SER A 91 -13.239 -49.792 -39.745 1.00 62.43 H new ATOM 0 HB2 SER A 91 -11.421 -48.491 -40.686 1.00 32.31 H new ATOM 0 HB3 SER A 91 -12.079 -47.604 -39.325 1.00 32.31 H new ATOM 0 HG SER A 91 -10.327 -48.184 -38.065 1.00 73.12 H new ATOM 1461 N MET A 92 -10.458 -51.221 -38.662 1.00 34.20 N ATOM 1462 CA MET A 92 -9.599 -52.387 -38.830 1.00 61.24 C ATOM 1463 C MET A 92 -10.379 -53.676 -38.594 1.00 31.42 C ATOM 1464 O MET A 92 -10.213 -54.657 -39.320 1.00 1.04 O ATOM 1465 CB MET A 92 -8.410 -52.314 -37.871 1.00 3.42 C ATOM 1466 CG MET A 92 -7.218 -51.559 -38.437 1.00 23.10 C ATOM 1467 SD MET A 92 -6.208 -50.793 -37.155 1.00 1.32 S ATOM 1468 CE MET A 92 -6.111 -52.123 -35.959 1.00 74.14 C ATOM 0 H MET A 92 -10.192 -50.608 -37.891 1.00 34.20 H new ATOM 0 HA MET A 92 -9.230 -52.390 -39.855 1.00 61.24 H new ATOM 0 HB2 MET A 92 -8.729 -51.833 -36.946 1.00 3.42 H new ATOM 0 HB3 MET A 92 -8.099 -53.326 -37.613 1.00 3.42 H new ATOM 0 HG2 MET A 92 -6.602 -52.245 -39.018 1.00 23.10 H new ATOM 0 HG3 MET A 92 -7.573 -50.790 -39.123 1.00 23.10 H new ATOM 0 HE1 MET A 92 -5.271 -51.948 -35.287 1.00 74.14 H new ATOM 0 HE2 MET A 92 -7.035 -52.161 -35.382 1.00 74.14 H new ATOM 0 HE3 MET A 92 -5.968 -53.070 -36.479 1.00 74.14 H new ATOM 1478 N LYS A 93 -11.231 -53.669 -37.574 1.00 5.32 N ATOM 1479 CA LYS A 93 -12.038 -54.837 -37.241 1.00 44.34 C ATOM 1480 C LYS A 93 -13.120 -55.067 -38.291 1.00 41.23 C ATOM 1481 O LYS A 93 -13.658 -56.167 -38.410 1.00 74.53 O ATOM 1482 CB LYS A 93 -12.678 -54.664 -35.862 1.00 54.34 C ATOM 1483 CG LYS A 93 -13.792 -55.658 -35.580 1.00 44.30 C ATOM 1484 CD LYS A 93 -15.151 -55.095 -35.958 1.00 52.42 C ATOM 1485 CE LYS A 93 -16.095 -56.189 -36.433 1.00 52.41 C ATOM 1486 NZ LYS A 93 -17.303 -55.628 -37.101 1.00 24.23 N ATOM 0 H LYS A 93 -11.380 -52.866 -36.963 1.00 5.32 H new ATOM 0 HA LYS A 93 -11.383 -55.708 -37.223 1.00 44.34 H new ATOM 0 HB2 LYS A 93 -11.908 -54.767 -35.098 1.00 54.34 H new ATOM 0 HB3 LYS A 93 -13.075 -53.652 -35.779 1.00 54.34 H new ATOM 0 HG2 LYS A 93 -13.610 -56.577 -36.137 1.00 44.30 H new ATOM 0 HG3 LYS A 93 -13.787 -55.920 -34.522 1.00 44.30 H new ATOM 0 HD2 LYS A 93 -15.586 -54.585 -35.099 1.00 52.42 H new ATOM 0 HD3 LYS A 93 -15.031 -54.350 -36.744 1.00 52.42 H new ATOM 0 HE2 LYS A 93 -15.570 -56.847 -37.125 1.00 52.41 H new ATOM 0 HE3 LYS A 93 -16.400 -56.799 -35.583 1.00 52.41 H new ATOM 0 HZ1 LYS A 93 -17.921 -56.405 -37.410 1.00 24.23 H new ATOM 0 HZ2 LYS A 93 -17.819 -55.020 -36.433 1.00 24.23 H new ATOM 0 HZ3 LYS A 93 -17.014 -55.066 -37.927 1.00 24.23 H new ATOM 1500 N ARG A 94 -13.433 -54.022 -39.051 1.00 65.21 N ATOM 1501 CA ARG A 94 -14.450 -54.111 -40.091 1.00 73.22 C ATOM 1502 C ARG A 94 -13.856 -54.653 -41.388 1.00 53.22 C ATOM 1503 O ARG A 94 -14.523 -55.365 -42.138 1.00 74.32 O ATOM 1504 CB ARG A 94 -15.078 -52.738 -40.339 1.00 62.33 C ATOM 1505 CG ARG A 94 -16.113 -52.734 -41.452 1.00 72.01 C ATOM 1506 CD ARG A 94 -17.246 -51.764 -41.155 1.00 71.02 C ATOM 1507 NE ARG A 94 -17.507 -50.867 -42.278 1.00 2.03 N ATOM 1508 CZ ARG A 94 -16.664 -49.918 -42.671 1.00 75.24 C ATOM 1509 NH1 ARG A 94 -15.513 -49.744 -42.037 1.00 33.31 N ATOM 1510 NH2 ARG A 94 -16.973 -49.141 -43.702 1.00 62.50 N ATOM 0 H ARG A 94 -12.996 -53.104 -38.965 1.00 65.21 H new ATOM 0 HA ARG A 94 -15.223 -54.800 -39.750 1.00 73.22 H new ATOM 0 HB2 ARG A 94 -15.546 -52.390 -39.418 1.00 62.33 H new ATOM 0 HB3 ARG A 94 -14.290 -52.026 -40.585 1.00 62.33 H new ATOM 0 HG2 ARG A 94 -15.636 -52.461 -42.393 1.00 72.01 H new ATOM 0 HG3 ARG A 94 -16.516 -53.739 -41.579 1.00 72.01 H new ATOM 0 HD2 ARG A 94 -18.151 -52.324 -40.921 1.00 71.02 H new ATOM 0 HD3 ARG A 94 -16.998 -51.176 -40.271 1.00 71.02 H new ATOM 0 HE ARG A 94 -18.384 -50.975 -42.788 1.00 2.03 H new ATOM 0 HH11 ARG A 94 -15.272 -50.340 -41.245 1.00 33.31 H new ATOM 0 HH12 ARG A 94 -14.868 -49.015 -42.341 1.00 33.31 H new ATOM 0 HH21 ARG A 94 -17.858 -49.272 -44.193 1.00 62.50 H new ATOM 0 HH22 ARG A 94 -16.326 -48.413 -44.004 1.00 62.50 H new ATOM 1524 N SER A 95 -12.598 -54.309 -41.646 1.00 34.23 N ATOM 1525 CA SER A 95 -11.916 -54.757 -42.854 1.00 23.11 C ATOM 1526 C SER A 95 -11.181 -56.071 -42.607 1.00 61.22 C ATOM 1527 O SER A 95 -10.824 -56.782 -43.547 1.00 73.03 O ATOM 1528 CB SER A 95 -10.929 -53.690 -43.333 1.00 33.30 C ATOM 1529 OG SER A 95 -11.290 -52.408 -42.850 1.00 35.02 O ATOM 0 H SER A 95 -12.031 -53.722 -41.035 1.00 34.23 H new ATOM 0 HA SER A 95 -12.667 -54.920 -43.627 1.00 23.11 H new ATOM 0 HB2 SER A 95 -9.924 -53.941 -42.993 1.00 33.30 H new ATOM 0 HB3 SER A 95 -10.903 -53.677 -44.423 1.00 33.30 H new ATOM 0 HG SER A 95 -11.057 -52.339 -41.901 1.00 35.02 H new ATOM 1535 N TYR A 96 -10.958 -56.387 -41.337 1.00 21.35 N ATOM 1536 CA TYR A 96 -10.264 -57.614 -40.965 1.00 24.34 C ATOM 1537 C TYR A 96 -11.257 -58.728 -40.647 1.00 51.25 C ATOM 1538 O TYR A 96 -11.054 -59.883 -41.023 1.00 12.41 O ATOM 1539 CB TYR A 96 -9.356 -57.366 -39.758 1.00 74.23 C ATOM 1540 CG TYR A 96 -8.758 -58.629 -39.181 1.00 11.03 C ATOM 1541 CD1 TYR A 96 -8.434 -59.705 -39.999 1.00 10.54 C ATOM 1542 CD2 TYR A 96 -8.518 -58.747 -37.817 1.00 62.15 C ATOM 1543 CE1 TYR A 96 -7.888 -60.861 -39.475 1.00 42.44 C ATOM 1544 CE2 TYR A 96 -7.971 -59.899 -37.286 1.00 4.32 C ATOM 1545 CZ TYR A 96 -7.658 -60.953 -38.119 1.00 4.44 C ATOM 1546 OH TYR A 96 -7.114 -62.102 -37.593 1.00 23.04 O ATOM 0 H TYR A 96 -11.248 -55.810 -40.547 1.00 21.35 H new ATOM 0 HA TYR A 96 -9.654 -57.927 -41.813 1.00 24.34 H new ATOM 0 HB2 TYR A 96 -8.550 -56.694 -40.052 1.00 74.23 H new ATOM 0 HB3 TYR A 96 -9.928 -56.857 -38.982 1.00 74.23 H new ATOM 0 HD1 TYR A 96 -8.612 -59.636 -41.062 1.00 10.54 H new ATOM 0 HD2 TYR A 96 -8.763 -57.924 -37.161 1.00 62.15 H new ATOM 0 HE1 TYR A 96 -7.643 -61.688 -40.124 1.00 42.44 H new ATOM 0 HE2 TYR A 96 -7.789 -59.974 -36.224 1.00 4.32 H new ATOM 0 HH TYR A 96 -7.016 -62.003 -36.623 1.00 23.04 H new