USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 544 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 61 THR OG1 : rot 170:sc= -1.52 USER MOD Single : A 21 MET CE :methyl 176:sc= 0 (180deg=-0.0139) USER MOD Single : A 22 THR OG1 : rot 180:sc=0.000687 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -28:sc= 0.322 USER MOD Single : A 43 MET CE :methyl -157:sc= -1.23 (180deg=-2.09!) USER MOD Single : A 45 MET CE :methyl 168:sc= -0.0103 (180deg=-0.313) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -151:sc= -0.132 (180deg=-1.82!) USER MOD Single : A 52 HIS : no HE2:sc= -1.62! C(o=-1.6!,f=-7.6!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -107:sc= -0.803 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00259) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.0106 X(o=-0.011,f=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -4.99! C(o=-5!,f=-6!) USER MOD Single : A 77 THR OG1 : rot -95:sc= 0.888 USER MOD ----------------------------------------------------------------- ATOM 174 N GLY A 16 1.591 9.046 1.775 1.00 0.00 N ATOM 175 CA GLY A 16 0.978 8.162 2.753 1.00 0.00 C ATOM 176 C GLY A 16 1.956 7.072 3.196 1.00 0.00 C ATOM 177 O GLY A 16 3.166 7.294 3.226 1.00 0.00 O ATOM 0 HA2 GLY A 16 0.655 8.740 3.619 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.086 7.704 2.326 1.00 0.00 H new ATOM 181 N PRO A 17 1.381 5.888 3.537 1.00 0.00 N ATOM 182 CA PRO A 17 2.188 4.763 3.977 1.00 0.00 C ATOM 183 C PRO A 17 2.910 4.111 2.796 1.00 0.00 C ATOM 184 O PRO A 17 2.528 4.310 1.644 1.00 0.00 O ATOM 185 CB PRO A 17 1.212 3.825 4.668 1.00 0.00 C ATOM 186 CG PRO A 17 -0.170 4.232 4.185 1.00 0.00 C ATOM 187 CD PRO A 17 -0.048 5.590 3.514 1.00 0.00 C ATOM 0 HA PRO A 17 2.986 5.059 4.658 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.424 2.786 4.415 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.288 3.911 5.752 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.562 3.494 3.485 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.868 4.281 5.021 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.431 5.563 2.494 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.619 6.349 4.049 1.00 0.00 H new ATOM 195 N LEU A 18 3.942 3.347 3.124 1.00 0.00 N ATOM 196 CA LEU A 18 4.721 2.665 2.104 1.00 0.00 C ATOM 197 C LEU A 18 4.632 1.153 2.327 1.00 0.00 C ATOM 198 O LEU A 18 4.752 0.681 3.456 1.00 0.00 O ATOM 199 CB LEU A 18 6.154 3.199 2.078 1.00 0.00 C ATOM 200 CG LEU A 18 6.323 4.641 1.594 1.00 0.00 C ATOM 201 CD1 LEU A 18 7.771 5.107 1.756 1.00 0.00 C ATOM 202 CD2 LEU A 18 5.828 4.798 0.155 1.00 0.00 C ATOM 0 H LEU A 18 4.257 3.185 4.081 1.00 0.00 H new ATOM 0 HA LEU A 18 4.312 2.867 1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.567 3.123 3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.751 2.549 1.438 1.00 0.00 H new ATOM 0 HG LEU A 18 5.705 5.286 2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.864 6.135 1.405 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.054 5.056 2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.428 4.463 1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.959 5.832 -0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.399 4.140 -0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.772 4.534 0.103 1.00 0.00 H new ATOM 214 N ALA A 19 4.423 0.437 1.232 1.00 0.00 N ATOM 215 CA ALA A 19 4.318 -1.011 1.294 1.00 0.00 C ATOM 216 C ALA A 19 5.537 -1.576 2.025 1.00 0.00 C ATOM 217 O ALA A 19 6.643 -1.057 1.888 1.00 0.00 O ATOM 218 CB ALA A 19 4.174 -1.573 -0.122 1.00 0.00 C ATOM 0 H ALA A 19 4.324 0.832 0.297 1.00 0.00 H new ATOM 0 HA ALA A 19 3.432 -1.308 1.854 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.095 -2.659 -0.076 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.277 -1.163 -0.587 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.047 -1.297 -0.713 1.00 0.00 H new ATOM 224 N PRO A 20 5.287 -2.661 2.805 1.00 0.00 N ATOM 225 CA PRO A 20 6.351 -3.303 3.558 1.00 0.00 C ATOM 226 C PRO A 20 7.252 -4.129 2.638 1.00 0.00 C ATOM 227 O PRO A 20 8.476 -4.019 2.699 1.00 0.00 O ATOM 228 CB PRO A 20 5.641 -4.145 4.605 1.00 0.00 C ATOM 229 CG PRO A 20 4.213 -4.310 4.109 1.00 0.00 C ATOM 230 CD PRO A 20 3.989 -3.304 2.991 1.00 0.00 C ATOM 0 HA PRO A 20 7.022 -2.586 4.031 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.128 -5.113 4.723 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.662 -3.656 5.579 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.049 -5.325 3.748 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.505 -4.143 4.921 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.656 -3.796 2.077 1.00 0.00 H new ATOM 0 HD3 PRO A 20 3.222 -2.578 3.260 1.00 0.00 H new ATOM 238 N MET A 21 6.612 -4.938 1.806 1.00 0.00 N ATOM 239 CA MET A 21 7.340 -5.783 0.875 1.00 0.00 C ATOM 240 C MET A 21 6.488 -6.107 -0.354 1.00 0.00 C ATOM 241 O MET A 21 5.295 -5.808 -0.382 1.00 0.00 O ATOM 242 CB MET A 21 7.745 -7.083 1.573 1.00 0.00 C ATOM 243 CG MET A 21 6.522 -7.798 2.152 1.00 0.00 C ATOM 244 SD MET A 21 7.037 -9.008 3.358 1.00 0.00 S ATOM 245 CE MET A 21 6.310 -8.308 4.830 1.00 0.00 C ATOM 0 H MET A 21 5.597 -5.026 1.757 1.00 0.00 H new ATOM 0 HA MET A 21 8.229 -5.245 0.546 1.00 0.00 H new ATOM 0 HB2 MET A 21 8.252 -7.738 0.864 1.00 0.00 H new ATOM 0 HB3 MET A 21 8.455 -6.866 2.371 1.00 0.00 H new ATOM 0 HG2 MET A 21 5.852 -7.073 2.615 1.00 0.00 H new ATOM 0 HG3 MET A 21 5.963 -8.284 1.353 1.00 0.00 H new ATOM 0 HE1 MET A 21 6.476 -8.979 5.672 1.00 0.00 H new ATOM 0 HE2 MET A 21 6.770 -7.342 5.039 1.00 0.00 H new ATOM 0 HE3 MET A 21 5.239 -8.174 4.678 1.00 0.00 H new ATOM 255 N THR A 22 7.133 -6.713 -1.339 1.00 0.00 N ATOM 256 CA THR A 22 6.448 -7.081 -2.567 1.00 0.00 C ATOM 257 C THR A 22 5.438 -8.198 -2.300 1.00 0.00 C ATOM 258 O THR A 22 5.819 -9.316 -1.959 1.00 0.00 O ATOM 259 CB THR A 22 7.508 -7.455 -3.605 1.00 0.00 C ATOM 260 OG1 THR A 22 8.460 -6.397 -3.527 1.00 0.00 O ATOM 261 CG2 THR A 22 6.978 -7.375 -5.038 1.00 0.00 C ATOM 0 H THR A 22 8.123 -6.959 -1.312 1.00 0.00 H new ATOM 0 HA THR A 22 5.866 -6.248 -2.961 1.00 0.00 H new ATOM 0 HB THR A 22 7.869 -8.464 -3.407 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.184 -6.561 -4.167 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.770 -7.650 -5.735 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.138 -8.060 -5.154 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.648 -6.358 -5.247 1.00 0.00 H new ATOM 269 N GLY A 23 4.168 -7.855 -2.465 1.00 0.00 N ATOM 270 CA GLY A 23 3.100 -8.816 -2.247 1.00 0.00 C ATOM 271 C GLY A 23 1.875 -8.475 -3.098 1.00 0.00 C ATOM 272 O GLY A 23 1.981 -7.743 -4.080 1.00 0.00 O ATOM 0 H GLY A 23 3.855 -6.926 -2.747 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.451 -9.818 -2.494 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.824 -8.826 -1.193 1.00 0.00 H new ATOM 276 N THR A 24 0.740 -9.023 -2.689 1.00 0.00 N ATOM 277 CA THR A 24 -0.505 -8.787 -3.401 1.00 0.00 C ATOM 278 C THR A 24 -1.565 -8.226 -2.452 1.00 0.00 C ATOM 279 O THR A 24 -1.654 -8.644 -1.298 1.00 0.00 O ATOM 280 CB THR A 24 -0.922 -10.098 -4.072 1.00 0.00 C ATOM 281 OG1 THR A 24 0.206 -10.456 -4.866 1.00 0.00 O ATOM 282 CG2 THR A 24 -2.048 -9.902 -5.089 1.00 0.00 C ATOM 0 H THR A 24 0.656 -9.630 -1.873 1.00 0.00 H new ATOM 0 HA THR A 24 -0.379 -8.033 -4.178 1.00 0.00 H new ATOM 0 HB THR A 24 -1.241 -10.810 -3.311 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.022 -11.296 -5.335 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.306 -10.862 -5.536 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.923 -9.488 -4.588 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.718 -9.216 -5.869 1.00 0.00 H new ATOM 290 N ILE A 25 -2.342 -7.287 -2.972 1.00 0.00 N ATOM 291 CA ILE A 25 -3.393 -6.664 -2.185 1.00 0.00 C ATOM 292 C ILE A 25 -4.561 -7.641 -2.038 1.00 0.00 C ATOM 293 O ILE A 25 -5.293 -7.888 -2.995 1.00 0.00 O ATOM 294 CB ILE A 25 -3.790 -5.317 -2.792 1.00 0.00 C ATOM 295 CG1 ILE A 25 -2.553 -4.499 -3.167 1.00 0.00 C ATOM 296 CG2 ILE A 25 -4.724 -4.548 -1.856 1.00 0.00 C ATOM 297 CD1 ILE A 25 -1.671 -4.245 -1.943 1.00 0.00 C ATOM 0 H ILE A 25 -2.265 -6.942 -3.929 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.035 -6.441 -1.180 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.342 -5.506 -3.713 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.980 -5.028 -3.929 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.860 -3.548 -3.602 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -4.991 -3.594 -2.311 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.627 -5.133 -1.682 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.220 -4.368 -0.906 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.799 -3.662 -2.238 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.239 -3.695 -1.193 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.346 -5.198 -1.525 1.00 0.00 H new ATOM 309 N GLU A 26 -4.700 -8.171 -0.831 1.00 0.00 N ATOM 310 CA GLU A 26 -5.767 -9.115 -0.547 1.00 0.00 C ATOM 311 C GLU A 26 -7.085 -8.373 -0.317 1.00 0.00 C ATOM 312 O GLU A 26 -8.097 -8.693 -0.937 1.00 0.00 O ATOM 313 CB GLU A 26 -5.415 -9.994 0.656 1.00 0.00 C ATOM 314 CG GLU A 26 -6.591 -10.895 1.039 1.00 0.00 C ATOM 315 CD GLU A 26 -7.093 -10.571 2.447 1.00 0.00 C ATOM 316 OE1 GLU A 26 -7.979 -9.694 2.546 1.00 0.00 O ATOM 317 OE2 GLU A 26 -6.580 -11.206 3.393 1.00 0.00 O ATOM 0 H GLU A 26 -4.091 -7.964 -0.039 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.887 -9.769 -1.411 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.544 -10.606 0.421 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.143 -9.365 1.504 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.401 -10.766 0.321 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.285 -11.940 0.990 1.00 0.00 H new ATOM 324 N LYS A 27 -7.029 -7.397 0.577 1.00 0.00 N ATOM 325 CA LYS A 27 -8.206 -6.607 0.897 1.00 0.00 C ATOM 326 C LYS A 27 -7.839 -5.122 0.878 1.00 0.00 C ATOM 327 O LYS A 27 -6.663 -4.770 0.785 1.00 0.00 O ATOM 328 CB LYS A 27 -8.821 -7.072 2.218 1.00 0.00 C ATOM 329 CG LYS A 27 -9.939 -8.087 1.976 1.00 0.00 C ATOM 330 CD LYS A 27 -11.253 -7.384 1.629 1.00 0.00 C ATOM 331 CE LYS A 27 -11.717 -7.754 0.219 1.00 0.00 C ATOM 332 NZ LYS A 27 -12.751 -8.812 0.275 1.00 0.00 N ATOM 0 H LYS A 27 -6.187 -7.135 1.090 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.980 -6.754 0.143 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.049 -7.519 2.845 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.216 -6.214 2.761 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.656 -8.758 1.165 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.075 -8.702 2.866 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.020 -7.661 2.352 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.122 -6.304 1.701 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.117 -6.872 -0.282 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.868 -8.098 -0.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.055 -9.052 -0.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.357 -9.658 0.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.568 -8.471 0.821 1.00 0.00 H new ATOM 346 N VAL A 28 -8.866 -4.290 0.968 1.00 0.00 N ATOM 347 CA VAL A 28 -8.666 -2.850 0.963 1.00 0.00 C ATOM 348 C VAL A 28 -9.766 -2.184 1.790 1.00 0.00 C ATOM 349 O VAL A 28 -10.898 -2.047 1.328 1.00 0.00 O ATOM 350 CB VAL A 28 -8.605 -2.336 -0.477 1.00 0.00 C ATOM 351 CG1 VAL A 28 -8.662 -0.807 -0.516 1.00 0.00 C ATOM 352 CG2 VAL A 28 -7.358 -2.857 -1.193 1.00 0.00 C ATOM 0 H VAL A 28 -9.839 -4.585 1.045 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.713 -2.595 1.426 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.478 -2.717 -1.006 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.617 -0.468 -1.551 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.593 -0.466 -0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.817 -0.397 0.037 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.339 -2.477 -2.214 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.467 -2.519 -0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.378 -3.947 -1.212 1.00 0.00 H new ATOM 362 N PHE A 29 -9.396 -1.786 2.998 1.00 0.00 N ATOM 363 CA PHE A 29 -10.338 -1.137 3.894 1.00 0.00 C ATOM 364 C PHE A 29 -10.133 0.379 3.901 1.00 0.00 C ATOM 365 O PHE A 29 -10.075 0.997 4.963 1.00 0.00 O ATOM 366 CB PHE A 29 -10.068 -1.682 5.298 1.00 0.00 C ATOM 367 CG PHE A 29 -10.117 -3.208 5.393 1.00 0.00 C ATOM 368 CD1 PHE A 29 -11.177 -3.888 4.878 1.00 0.00 C ATOM 369 CD2 PHE A 29 -9.102 -3.886 5.993 1.00 0.00 C ATOM 370 CE1 PHE A 29 -11.223 -5.304 4.966 1.00 0.00 C ATOM 371 CE2 PHE A 29 -9.148 -5.302 6.081 1.00 0.00 C ATOM 372 CZ PHE A 29 -10.208 -5.982 5.566 1.00 0.00 C ATOM 0 H PHE A 29 -8.456 -1.900 3.378 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.359 -1.337 3.569 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.087 -1.339 5.627 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -10.801 -1.262 5.987 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -11.984 -3.350 4.402 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.261 -3.347 6.403 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.064 -5.843 4.556 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.341 -5.840 6.557 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.243 -7.059 5.634 1.00 0.00 H new ATOM 382 N VAL A 30 -10.028 0.935 2.703 1.00 0.00 N ATOM 383 CA VAL A 30 -9.831 2.367 2.557 1.00 0.00 C ATOM 384 C VAL A 30 -10.575 2.856 1.312 1.00 0.00 C ATOM 385 O VAL A 30 -11.202 2.065 0.609 1.00 0.00 O ATOM 386 CB VAL A 30 -8.335 2.688 2.524 1.00 0.00 C ATOM 387 CG1 VAL A 30 -7.652 2.252 3.822 1.00 0.00 C ATOM 388 CG2 VAL A 30 -7.663 2.047 1.308 1.00 0.00 C ATOM 0 H VAL A 30 -10.076 0.419 1.824 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.246 2.899 3.413 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.226 3.769 2.435 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.590 2.491 3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.103 2.776 4.664 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.776 1.177 3.955 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.601 2.291 1.309 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.787 0.965 1.352 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.122 2.428 0.396 1.00 0.00 H new ATOM 398 N LYS A 31 -10.479 4.157 1.078 1.00 0.00 N ATOM 399 CA LYS A 31 -11.136 4.760 -0.069 1.00 0.00 C ATOM 400 C LYS A 31 -10.937 6.276 -0.026 1.00 0.00 C ATOM 401 O LYS A 31 -10.544 6.825 1.002 1.00 0.00 O ATOM 402 CB LYS A 31 -12.604 4.334 -0.132 1.00 0.00 C ATOM 403 CG LYS A 31 -13.286 4.514 1.225 1.00 0.00 C ATOM 404 CD LYS A 31 -14.076 5.823 1.273 1.00 0.00 C ATOM 405 CE LYS A 31 -15.405 5.689 0.525 1.00 0.00 C ATOM 406 NZ LYS A 31 -16.539 5.998 1.424 1.00 0.00 N ATOM 0 H LYS A 31 -9.957 4.809 1.663 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.686 4.405 -0.996 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.125 4.924 -0.886 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.671 3.291 -0.441 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.955 3.674 1.414 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.536 4.508 2.016 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.265 6.100 2.310 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.485 6.625 0.831 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.417 6.364 -0.331 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.509 4.677 0.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -17.433 5.902 0.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.535 5.337 2.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -16.447 6.972 1.777 1.00 0.00 H new ATOM 420 N ALA A 32 -11.217 6.911 -1.155 1.00 0.00 N ATOM 421 CA ALA A 32 -11.073 8.353 -1.259 1.00 0.00 C ATOM 422 C ALA A 32 -12.100 9.030 -0.349 1.00 0.00 C ATOM 423 O ALA A 32 -13.220 8.543 -0.201 1.00 0.00 O ATOM 424 CB ALA A 32 -11.221 8.777 -2.721 1.00 0.00 C ATOM 0 H ALA A 32 -11.543 6.453 -2.006 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.082 8.665 -0.928 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -11.113 9.859 -2.799 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -10.451 8.291 -3.320 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -12.205 8.483 -3.087 1.00 0.00 H new ATOM 430 N GLY A 33 -11.682 10.142 0.237 1.00 0.00 N ATOM 431 CA GLY A 33 -12.551 10.891 1.128 1.00 0.00 C ATOM 432 C GLY A 33 -12.971 10.040 2.328 1.00 0.00 C ATOM 433 O GLY A 33 -14.015 10.282 2.931 1.00 0.00 O ATOM 0 H GLY A 33 -10.752 10.543 0.112 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.036 11.787 1.475 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.436 11.222 0.585 1.00 0.00 H new ATOM 437 N ASP A 34 -12.135 9.060 2.639 1.00 0.00 N ATOM 438 CA ASP A 34 -12.406 8.171 3.756 1.00 0.00 C ATOM 439 C ASP A 34 -11.728 8.717 5.013 1.00 0.00 C ATOM 440 O ASP A 34 -10.978 9.690 4.946 1.00 0.00 O ATOM 441 CB ASP A 34 -11.853 6.769 3.491 1.00 0.00 C ATOM 442 CG ASP A 34 -12.328 5.691 4.468 1.00 0.00 C ATOM 443 OD1 ASP A 34 -13.507 5.295 4.347 1.00 0.00 O ATOM 444 OD2 ASP A 34 -11.501 5.288 5.314 1.00 0.00 O ATOM 0 H ASP A 34 -11.270 8.862 2.137 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.487 8.114 3.887 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.131 6.470 2.480 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.764 6.812 3.522 1.00 0.00 H new ATOM 449 N LYS A 35 -12.015 8.068 6.132 1.00 0.00 N ATOM 450 CA LYS A 35 -11.441 8.477 7.403 1.00 0.00 C ATOM 451 C LYS A 35 -10.757 7.276 8.059 1.00 0.00 C ATOM 452 O LYS A 35 -11.337 6.195 8.141 1.00 0.00 O ATOM 453 CB LYS A 35 -12.505 9.135 8.284 1.00 0.00 C ATOM 454 CG LYS A 35 -13.071 10.389 7.615 1.00 0.00 C ATOM 455 CD LYS A 35 -12.045 11.524 7.621 1.00 0.00 C ATOM 456 CE LYS A 35 -12.724 12.878 7.400 1.00 0.00 C ATOM 457 NZ LYS A 35 -12.240 13.868 8.388 1.00 0.00 N ATOM 0 H LYS A 35 -12.638 7.262 6.185 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.674 9.236 7.248 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -13.311 8.427 8.478 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -12.072 9.397 9.249 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.359 10.160 6.589 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -13.974 10.707 8.136 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.511 11.532 8.571 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.304 11.353 6.840 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.520 13.233 6.390 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.805 12.768 7.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.711 14.781 8.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.457 13.534 9.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.212 13.986 8.286 1.00 0.00 H new ATOM 471 N VAL A 36 -9.532 7.506 8.509 1.00 0.00 N ATOM 472 CA VAL A 36 -8.763 6.457 9.155 1.00 0.00 C ATOM 473 C VAL A 36 -8.010 7.044 10.350 1.00 0.00 C ATOM 474 O VAL A 36 -7.878 8.262 10.468 1.00 0.00 O ATOM 475 CB VAL A 36 -7.838 5.784 8.138 1.00 0.00 C ATOM 476 CG1 VAL A 36 -8.639 4.949 7.137 1.00 0.00 C ATOM 477 CG2 VAL A 36 -6.970 6.819 7.418 1.00 0.00 C ATOM 0 H VAL A 36 -9.053 8.404 8.439 1.00 0.00 H new ATOM 0 HA VAL A 36 -9.424 5.680 9.538 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.175 5.111 8.682 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.958 4.482 6.426 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -9.194 4.176 7.669 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -9.337 5.593 6.602 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.322 6.315 6.701 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.610 7.528 6.893 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.359 7.352 8.147 1.00 0.00 H new ATOM 487 N LYS A 37 -7.535 6.152 11.207 1.00 0.00 N ATOM 488 CA LYS A 37 -6.799 6.567 12.389 1.00 0.00 C ATOM 489 C LYS A 37 -5.513 5.745 12.498 1.00 0.00 C ATOM 490 O LYS A 37 -5.514 4.545 12.225 1.00 0.00 O ATOM 491 CB LYS A 37 -7.689 6.485 13.630 1.00 0.00 C ATOM 492 CG LYS A 37 -8.652 7.672 13.694 1.00 0.00 C ATOM 493 CD LYS A 37 -8.476 8.453 14.997 1.00 0.00 C ATOM 494 CE LYS A 37 -9.802 9.064 15.455 1.00 0.00 C ATOM 495 NZ LYS A 37 -9.891 10.481 15.038 1.00 0.00 N ATOM 0 H LYS A 37 -7.646 5.143 11.106 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.503 7.613 12.306 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.255 5.554 13.615 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.069 6.467 14.526 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.478 8.332 12.844 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.679 7.316 13.616 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.090 7.791 15.772 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.738 9.242 14.855 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.634 8.501 15.032 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.887 8.992 16.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.797 10.880 15.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.108 11.018 15.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.831 10.542 14.002 1.00 0.00 H new ATOM 509 N ALA A 38 -4.447 6.422 12.898 1.00 0.00 N ATOM 510 CA ALA A 38 -3.158 5.770 13.047 1.00 0.00 C ATOM 511 C ALA A 38 -3.361 4.382 13.658 1.00 0.00 C ATOM 512 O ALA A 38 -3.869 4.258 14.772 1.00 0.00 O ATOM 513 CB ALA A 38 -2.235 6.649 13.893 1.00 0.00 C ATOM 0 H ALA A 38 -4.450 7.417 13.124 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.681 5.637 12.076 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.268 6.159 14.005 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.099 7.613 13.402 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.679 6.802 14.876 1.00 0.00 H new ATOM 519 N GLY A 39 -2.955 3.372 12.903 1.00 0.00 N ATOM 520 CA GLY A 39 -3.086 1.998 13.356 1.00 0.00 C ATOM 521 C GLY A 39 -4.183 1.267 12.580 1.00 0.00 C ATOM 522 O GLY A 39 -4.028 0.097 12.233 1.00 0.00 O ATOM 0 H GLY A 39 -2.535 3.478 11.980 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.137 1.477 13.229 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.317 1.983 14.421 1.00 0.00 H new ATOM 526 N ASP A 40 -5.267 1.987 12.330 1.00 0.00 N ATOM 527 CA ASP A 40 -6.389 1.421 11.601 1.00 0.00 C ATOM 528 C ASP A 40 -5.864 0.574 10.441 1.00 0.00 C ATOM 529 O ASP A 40 -4.870 0.929 9.809 1.00 0.00 O ATOM 530 CB ASP A 40 -7.278 2.522 11.018 1.00 0.00 C ATOM 531 CG ASP A 40 -8.367 3.040 11.960 1.00 0.00 C ATOM 532 OD1 ASP A 40 -8.001 3.435 13.088 1.00 0.00 O ATOM 533 OD2 ASP A 40 -9.541 3.030 11.530 1.00 0.00 O ATOM 0 H ASP A 40 -5.392 2.957 12.619 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.972 0.816 12.296 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.646 3.359 10.722 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.752 2.144 10.112 1.00 0.00 H new ATOM 538 N SER A 41 -6.554 -0.530 10.196 1.00 0.00 N ATOM 539 CA SER A 41 -6.169 -1.431 9.123 1.00 0.00 C ATOM 540 C SER A 41 -6.588 -0.846 7.773 1.00 0.00 C ATOM 541 O SER A 41 -7.766 -0.868 7.421 1.00 0.00 O ATOM 542 CB SER A 41 -6.790 -2.816 9.317 1.00 0.00 C ATOM 543 OG SER A 41 -7.986 -2.975 8.558 1.00 0.00 O ATOM 0 H SER A 41 -7.378 -0.821 10.722 1.00 0.00 H new ATOM 0 HA SER A 41 -5.085 -1.543 9.143 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.070 -3.580 9.024 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.008 -2.971 10.374 1.00 0.00 H new ATOM 0 HG SER A 41 -8.410 -2.101 8.429 1.00 0.00 H new ATOM 549 N LEU A 42 -5.600 -0.335 7.053 1.00 0.00 N ATOM 550 CA LEU A 42 -5.851 0.256 5.749 1.00 0.00 C ATOM 551 C LEU A 42 -6.214 -0.849 4.755 1.00 0.00 C ATOM 552 O LEU A 42 -7.350 -0.923 4.291 1.00 0.00 O ATOM 553 CB LEU A 42 -4.661 1.112 5.311 1.00 0.00 C ATOM 554 CG LEU A 42 -4.299 2.279 6.231 1.00 0.00 C ATOM 555 CD1 LEU A 42 -2.996 2.945 5.785 1.00 0.00 C ATOM 556 CD2 LEU A 42 -5.451 3.280 6.327 1.00 0.00 C ATOM 0 H LEU A 42 -4.624 -0.318 7.348 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.702 0.935 5.795 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.789 0.465 5.217 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.871 1.510 4.318 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.132 1.884 7.233 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.762 3.771 6.456 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.187 2.215 5.812 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.110 3.323 4.769 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.167 4.099 6.987 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.675 3.674 5.335 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.334 2.781 6.727 1.00 0.00 H new ATOM 568 N MET A 43 -5.226 -1.681 4.458 1.00 0.00 N ATOM 569 CA MET A 43 -5.427 -2.779 3.527 1.00 0.00 C ATOM 570 C MET A 43 -4.663 -4.026 3.978 1.00 0.00 C ATOM 571 O MET A 43 -3.940 -3.990 4.972 1.00 0.00 O ATOM 572 CB MET A 43 -4.948 -2.362 2.135 1.00 0.00 C ATOM 573 CG MET A 43 -5.747 -1.164 1.616 1.00 0.00 C ATOM 574 SD MET A 43 -4.728 0.301 1.631 1.00 0.00 S ATOM 575 CE MET A 43 -4.298 0.397 -0.099 1.00 0.00 C ATOM 0 H MET A 43 -4.285 -1.617 4.845 1.00 0.00 H new ATOM 0 HA MET A 43 -6.490 -3.017 3.499 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.889 -2.109 2.172 1.00 0.00 H new ATOM 0 HB3 MET A 43 -5.052 -3.199 1.445 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.099 -1.362 0.604 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.630 -1.009 2.236 1.00 0.00 H new ATOM 0 HE1 MET A 43 -3.378 0.970 -0.214 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.152 -0.608 -0.494 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.102 0.889 -0.647 1.00 0.00 H new ATOM 585 N VAL A 44 -4.850 -5.099 3.224 1.00 0.00 N ATOM 586 CA VAL A 44 -4.188 -6.355 3.533 1.00 0.00 C ATOM 587 C VAL A 44 -3.388 -6.819 2.314 1.00 0.00 C ATOM 588 O VAL A 44 -3.908 -6.845 1.199 1.00 0.00 O ATOM 589 CB VAL A 44 -5.216 -7.387 4.001 1.00 0.00 C ATOM 590 CG1 VAL A 44 -4.568 -8.760 4.191 1.00 0.00 C ATOM 591 CG2 VAL A 44 -5.910 -6.927 5.285 1.00 0.00 C ATOM 0 H VAL A 44 -5.450 -5.125 2.400 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.483 -6.223 4.353 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.975 -7.479 3.224 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.321 -9.475 4.524 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.142 -9.095 3.245 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.779 -8.689 4.939 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.636 -7.679 5.596 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.168 -6.792 6.072 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.422 -5.982 5.103 1.00 0.00 H new ATOM 601 N MET A 45 -2.137 -7.173 2.567 1.00 0.00 N ATOM 602 CA MET A 45 -1.260 -7.634 1.504 1.00 0.00 C ATOM 603 C MET A 45 -0.859 -9.095 1.719 1.00 0.00 C ATOM 604 O MET A 45 -1.100 -9.658 2.786 1.00 0.00 O ATOM 605 CB MET A 45 -0.005 -6.761 1.462 1.00 0.00 C ATOM 606 CG MET A 45 -0.254 -5.482 0.659 1.00 0.00 C ATOM 607 SD MET A 45 1.243 -4.513 0.575 1.00 0.00 S ATOM 608 CE MET A 45 2.114 -5.398 -0.706 1.00 0.00 C ATOM 0 H MET A 45 -1.709 -7.150 3.493 1.00 0.00 H new ATOM 0 HA MET A 45 -1.797 -7.559 0.558 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.298 -6.504 2.477 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.817 -7.321 1.016 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.591 -5.734 -0.347 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.049 -4.899 1.125 1.00 0.00 H new ATOM 0 HE1 MET A 45 2.971 -4.811 -1.036 1.00 0.00 H new ATOM 0 HE2 MET A 45 2.458 -6.356 -0.317 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.445 -5.569 -1.550 1.00 0.00 H new ATOM 618 N ILE A 46 -0.252 -9.667 0.689 1.00 0.00 N ATOM 619 CA ILE A 46 0.185 -11.051 0.753 1.00 0.00 C ATOM 620 C ILE A 46 1.527 -11.191 0.031 1.00 0.00 C ATOM 621 O ILE A 46 1.605 -11.013 -1.183 1.00 0.00 O ATOM 622 CB ILE A 46 -0.903 -11.982 0.213 1.00 0.00 C ATOM 623 CG1 ILE A 46 -2.192 -11.848 1.026 1.00 0.00 C ATOM 624 CG2 ILE A 46 -0.408 -13.429 0.157 1.00 0.00 C ATOM 625 CD1 ILE A 46 -3.174 -12.970 0.685 1.00 0.00 C ATOM 0 H ILE A 46 -0.053 -9.197 -0.194 1.00 0.00 H new ATOM 0 HA ILE A 46 0.346 -11.352 1.788 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.134 -11.681 -0.809 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.959 -11.875 2.091 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.654 -10.882 0.825 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.200 -14.070 -0.230 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.461 -13.491 -0.498 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.132 -13.758 1.159 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.082 -12.851 1.277 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.423 -12.926 -0.375 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.718 -13.934 0.910 1.00 0.00 H new ATOM 637 N ALA A 47 2.551 -11.508 0.810 1.00 0.00 N ATOM 638 CA ALA A 47 3.886 -11.673 0.261 1.00 0.00 C ATOM 639 C ALA A 47 4.272 -13.153 0.307 1.00 0.00 C ATOM 640 O ALA A 47 4.286 -13.827 -0.722 1.00 0.00 O ATOM 641 CB ALA A 47 4.869 -10.790 1.033 1.00 0.00 C ATOM 0 H ALA A 47 2.483 -11.655 1.817 1.00 0.00 H new ATOM 0 HA ALA A 47 3.914 -11.357 -0.782 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.870 -10.914 0.621 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.567 -9.746 0.945 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.871 -11.080 2.084 1.00 0.00 H new ATOM 647 N MET A 48 4.576 -13.615 1.510 1.00 0.00 N ATOM 648 CA MET A 48 4.961 -15.003 1.704 1.00 0.00 C ATOM 649 C MET A 48 3.764 -15.848 2.145 1.00 0.00 C ATOM 650 O MET A 48 3.741 -16.362 3.262 1.00 0.00 O ATOM 651 CB MET A 48 6.062 -15.085 2.764 1.00 0.00 C ATOM 652 CG MET A 48 5.654 -14.340 4.036 1.00 0.00 C ATOM 653 SD MET A 48 6.638 -14.903 5.415 1.00 0.00 S ATOM 654 CE MET A 48 7.574 -13.421 5.753 1.00 0.00 C ATOM 0 H MET A 48 4.564 -13.053 2.361 1.00 0.00 H new ATOM 0 HA MET A 48 5.328 -15.394 0.755 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.268 -16.129 3.000 1.00 0.00 H new ATOM 0 HB3 MET A 48 6.985 -14.660 2.369 1.00 0.00 H new ATOM 0 HG2 MET A 48 5.787 -13.267 3.898 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.596 -14.506 4.241 1.00 0.00 H new ATOM 0 HE1 MET A 48 8.245 -13.598 6.594 1.00 0.00 H new ATOM 0 HE2 MET A 48 8.158 -13.151 4.873 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.891 -12.608 5.999 1.00 0.00 H new ATOM 664 N LYS A 49 2.799 -15.964 1.244 1.00 0.00 N ATOM 665 CA LYS A 49 1.602 -16.738 1.526 1.00 0.00 C ATOM 666 C LYS A 49 1.081 -16.374 2.918 1.00 0.00 C ATOM 667 O LYS A 49 0.450 -17.195 3.582 1.00 0.00 O ATOM 668 CB LYS A 49 1.874 -18.232 1.343 1.00 0.00 C ATOM 669 CG LYS A 49 1.963 -18.596 -0.141 1.00 0.00 C ATOM 670 CD LYS A 49 0.727 -19.380 -0.588 1.00 0.00 C ATOM 671 CE LYS A 49 1.049 -20.868 -0.744 1.00 0.00 C ATOM 672 NZ LYS A 49 0.098 -21.509 -1.679 1.00 0.00 N ATOM 0 H LYS A 49 2.822 -15.535 0.319 1.00 0.00 H new ATOM 0 HA LYS A 49 0.813 -16.492 0.815 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.805 -18.500 1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.080 -18.810 1.816 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.057 -17.688 -0.737 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.859 -19.190 -0.320 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.073 -19.252 0.141 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.362 -18.982 -1.535 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.068 -20.989 -1.112 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.001 -21.360 0.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.331 -22.518 -1.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.870 -21.410 -1.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.164 -21.050 -2.610 1.00 0.00 H new ATOM 686 N MET A 50 1.363 -15.143 3.317 1.00 0.00 N ATOM 687 CA MET A 50 0.931 -14.660 4.617 1.00 0.00 C ATOM 688 C MET A 50 0.197 -13.323 4.490 1.00 0.00 C ATOM 689 O MET A 50 0.582 -12.474 3.687 1.00 0.00 O ATOM 690 CB MET A 50 2.147 -14.490 5.529 1.00 0.00 C ATOM 691 CG MET A 50 2.774 -15.844 5.866 1.00 0.00 C ATOM 692 SD MET A 50 2.886 -16.042 7.636 1.00 0.00 S ATOM 693 CE MET A 50 4.624 -16.414 7.798 1.00 0.00 C ATOM 0 H MET A 50 1.886 -14.465 2.762 1.00 0.00 H new ATOM 0 HA MET A 50 0.244 -15.391 5.045 1.00 0.00 H new ATOM 0 HB2 MET A 50 2.886 -13.855 5.041 1.00 0.00 H new ATOM 0 HB3 MET A 50 1.849 -13.985 6.448 1.00 0.00 H new ATOM 0 HG2 MET A 50 2.174 -16.648 5.439 1.00 0.00 H new ATOM 0 HG3 MET A 50 3.766 -15.915 5.420 1.00 0.00 H new ATOM 0 HE1 MET A 50 4.781 -17.044 8.674 1.00 0.00 H new ATOM 0 HE2 MET A 50 4.968 -16.939 6.907 1.00 0.00 H new ATOM 0 HE3 MET A 50 5.185 -15.487 7.912 1.00 0.00 H new ATOM 703 N GLU A 51 -0.846 -13.178 5.293 1.00 0.00 N ATOM 704 CA GLU A 51 -1.637 -11.960 5.280 1.00 0.00 C ATOM 705 C GLU A 51 -0.964 -10.880 6.131 1.00 0.00 C ATOM 706 O GLU A 51 -0.680 -11.100 7.307 1.00 0.00 O ATOM 707 CB GLU A 51 -3.064 -12.227 5.763 1.00 0.00 C ATOM 708 CG GLU A 51 -3.763 -13.253 4.869 1.00 0.00 C ATOM 709 CD GLU A 51 -3.722 -14.647 5.499 1.00 0.00 C ATOM 710 OE1 GLU A 51 -4.491 -14.858 6.461 1.00 0.00 O ATOM 711 OE2 GLU A 51 -2.922 -15.470 5.004 1.00 0.00 O ATOM 0 H GLU A 51 -1.162 -13.884 5.957 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.697 -11.601 4.253 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.042 -12.590 6.791 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.631 -11.296 5.766 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.798 -12.954 4.707 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.281 -13.277 3.892 1.00 0.00 H new ATOM 718 N HIS A 52 -0.727 -9.739 5.502 1.00 0.00 N ATOM 719 CA HIS A 52 -0.093 -8.625 6.186 1.00 0.00 C ATOM 720 C HIS A 52 -1.132 -7.541 6.477 1.00 0.00 C ATOM 721 O HIS A 52 -2.068 -7.349 5.701 1.00 0.00 O ATOM 722 CB HIS A 52 1.100 -8.102 5.383 1.00 0.00 C ATOM 723 CG HIS A 52 2.010 -9.187 4.859 1.00 0.00 C ATOM 724 ND1 HIS A 52 2.402 -10.272 5.624 1.00 0.00 N ATOM 725 CD2 HIS A 52 2.601 -9.344 3.639 1.00 0.00 C ATOM 726 CE1 HIS A 52 3.193 -11.040 4.889 1.00 0.00 C ATOM 727 NE2 HIS A 52 3.315 -10.462 3.659 1.00 0.00 N ATOM 0 H HIS A 52 -0.963 -9.562 4.526 1.00 0.00 H new ATOM 0 HA HIS A 52 0.306 -8.962 7.143 1.00 0.00 H new ATOM 0 HB2 HIS A 52 0.730 -7.515 4.542 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.681 -7.427 6.012 1.00 0.00 H new ATOM 0 HD1 HIS A 52 2.128 -10.450 6.590 1.00 0.00 H new ATOM 0 HD2 HIS A 52 2.504 -8.672 2.799 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.659 -11.961 5.207 1.00 0.00 H new ATOM 735 N THR A 53 -0.934 -6.861 7.596 1.00 0.00 N ATOM 736 CA THR A 53 -1.843 -5.801 7.999 1.00 0.00 C ATOM 737 C THR A 53 -1.121 -4.452 8.003 1.00 0.00 C ATOM 738 O THR A 53 -0.446 -4.109 8.973 1.00 0.00 O ATOM 739 CB THR A 53 -2.436 -6.177 9.358 1.00 0.00 C ATOM 740 OG1 THR A 53 -3.040 -7.448 9.133 1.00 0.00 O ATOM 741 CG2 THR A 53 -3.605 -5.275 9.757 1.00 0.00 C ATOM 0 H THR A 53 -0.157 -7.023 8.237 1.00 0.00 H new ATOM 0 HA THR A 53 -2.663 -5.693 7.289 1.00 0.00 H new ATOM 0 HB THR A 53 -1.659 -6.122 10.120 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.448 -7.768 9.965 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.989 -5.585 10.729 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.264 -4.241 9.815 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.397 -5.355 9.012 1.00 0.00 H new ATOM 749 N ILE A 54 -1.287 -3.724 6.909 1.00 0.00 N ATOM 750 CA ILE A 54 -0.659 -2.421 6.775 1.00 0.00 C ATOM 751 C ILE A 54 -1.374 -1.419 7.684 1.00 0.00 C ATOM 752 O ILE A 54 -2.433 -0.901 7.331 1.00 0.00 O ATOM 753 CB ILE A 54 -0.616 -1.995 5.306 1.00 0.00 C ATOM 754 CG1 ILE A 54 0.492 -2.735 4.553 1.00 0.00 C ATOM 755 CG2 ILE A 54 -0.481 -0.477 5.178 1.00 0.00 C ATOM 756 CD1 ILE A 54 0.021 -4.121 4.107 1.00 0.00 C ATOM 0 H ILE A 54 -1.848 -4.012 6.107 1.00 0.00 H new ATOM 0 HA ILE A 54 0.380 -2.464 7.101 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.562 -2.273 4.842 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.797 -2.153 3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.369 -2.834 5.193 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.453 -0.202 4.124 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.333 0.006 5.656 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.439 -0.151 5.663 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.827 -4.625 3.574 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.260 -4.709 4.981 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.841 -4.018 3.447 1.00 0.00 H new ATOM 768 N LYS A 55 -0.767 -1.177 8.836 1.00 0.00 N ATOM 769 CA LYS A 55 -1.332 -0.246 9.799 1.00 0.00 C ATOM 770 C LYS A 55 -1.016 1.186 9.364 1.00 0.00 C ATOM 771 O LYS A 55 0.143 1.526 9.130 1.00 0.00 O ATOM 772 CB LYS A 55 -0.852 -0.580 11.213 1.00 0.00 C ATOM 773 CG LYS A 55 -1.281 -1.991 11.619 1.00 0.00 C ATOM 774 CD LYS A 55 -1.896 -1.996 13.020 1.00 0.00 C ATOM 775 CE LYS A 55 -3.049 -2.998 13.109 1.00 0.00 C ATOM 776 NZ LYS A 55 -2.739 -4.057 14.096 1.00 0.00 N ATOM 0 H LYS A 55 0.111 -1.609 9.125 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.418 -0.339 9.826 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.234 -0.498 11.261 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.258 0.145 11.919 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.004 -2.376 10.900 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.419 -2.658 11.594 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.132 -2.249 13.755 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.257 -0.998 13.266 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.966 -2.482 13.395 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.227 -3.445 12.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.531 -4.729 14.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.876 -4.560 13.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.592 -3.627 15.032 1.00 0.00 H new ATOM 790 N SER A 56 -2.067 1.987 9.268 1.00 0.00 N ATOM 791 CA SER A 56 -1.915 3.375 8.865 1.00 0.00 C ATOM 792 C SER A 56 -0.794 4.034 9.670 1.00 0.00 C ATOM 793 O SER A 56 -0.600 3.722 10.844 1.00 0.00 O ATOM 794 CB SER A 56 -3.224 4.147 9.048 1.00 0.00 C ATOM 795 OG SER A 56 -3.171 5.436 8.443 1.00 0.00 O ATOM 0 H SER A 56 -3.027 1.702 9.462 1.00 0.00 H new ATOM 0 HA SER A 56 -1.655 3.398 7.807 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.045 3.576 8.615 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.436 4.254 10.112 1.00 0.00 H new ATOM 0 HG SER A 56 -3.113 6.122 9.140 1.00 0.00 H new ATOM 801 N PRO A 57 -0.064 4.958 8.989 1.00 0.00 N ATOM 802 CA PRO A 57 1.034 5.664 9.628 1.00 0.00 C ATOM 803 C PRO A 57 0.512 6.734 10.590 1.00 0.00 C ATOM 804 O PRO A 57 1.146 7.025 11.603 1.00 0.00 O ATOM 805 CB PRO A 57 1.849 6.242 8.483 1.00 0.00 C ATOM 806 CG PRO A 57 0.931 6.235 7.272 1.00 0.00 C ATOM 807 CD PRO A 57 -0.264 5.354 7.598 1.00 0.00 C ATOM 0 HA PRO A 57 1.649 5.012 10.248 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.183 7.253 8.714 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.742 5.645 8.299 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.605 7.248 7.034 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.457 5.856 6.396 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.201 5.895 7.471 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.306 4.485 6.941 1.00 0.00 H new ATOM 815 N LYS A 58 -0.638 7.290 10.238 1.00 0.00 N ATOM 816 CA LYS A 58 -1.252 8.321 11.057 1.00 0.00 C ATOM 817 C LYS A 58 -2.662 8.608 10.536 1.00 0.00 C ATOM 818 O LYS A 58 -2.985 8.278 9.396 1.00 0.00 O ATOM 819 CB LYS A 58 -0.356 9.559 11.121 1.00 0.00 C ATOM 820 CG LYS A 58 -0.170 10.173 9.732 1.00 0.00 C ATOM 821 CD LYS A 58 1.298 10.523 9.480 1.00 0.00 C ATOM 822 CE LYS A 58 1.428 11.590 8.391 1.00 0.00 C ATOM 823 NZ LYS A 58 2.627 12.426 8.626 1.00 0.00 N ATOM 0 H LYS A 58 -1.161 7.046 9.397 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.356 7.978 12.086 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.796 10.296 11.793 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.615 9.289 11.536 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.517 9.473 8.972 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.782 11.070 9.642 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.753 10.883 10.403 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.843 9.627 9.183 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.495 11.114 7.413 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.537 12.217 8.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.701 13.145 7.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.547 12.895 9.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.476 11.826 8.614 1.00 0.00 H new ATOM 837 N ASP A 59 -3.463 9.220 11.396 1.00 0.00 N ATOM 838 CA ASP A 59 -4.830 9.556 11.036 1.00 0.00 C ATOM 839 C ASP A 59 -4.818 10.545 9.869 1.00 0.00 C ATOM 840 O ASP A 59 -3.859 11.296 9.697 1.00 0.00 O ATOM 841 CB ASP A 59 -5.562 10.215 12.207 1.00 0.00 C ATOM 842 CG ASP A 59 -5.313 11.717 12.361 1.00 0.00 C ATOM 843 OD1 ASP A 59 -6.017 12.483 11.668 1.00 0.00 O ATOM 844 OD2 ASP A 59 -4.425 12.065 13.169 1.00 0.00 O ATOM 0 H ASP A 59 -3.192 9.492 12.341 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.343 8.634 10.763 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.633 10.050 12.086 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.265 9.716 13.129 1.00 0.00 H new ATOM 849 N GLY A 60 -5.894 10.513 9.097 1.00 0.00 N ATOM 850 CA GLY A 60 -6.019 11.398 7.951 1.00 0.00 C ATOM 851 C GLY A 60 -7.184 10.972 7.055 1.00 0.00 C ATOM 852 O GLY A 60 -7.788 9.923 7.272 1.00 0.00 O ATOM 0 H GLY A 60 -6.687 9.888 9.242 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.173 12.422 8.292 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.092 11.390 7.377 1.00 0.00 H new ATOM 856 N THR A 61 -7.465 11.809 6.066 1.00 0.00 N ATOM 857 CA THR A 61 -8.546 11.533 5.136 1.00 0.00 C ATOM 858 C THR A 61 -7.988 11.040 3.800 1.00 0.00 C ATOM 859 O THR A 61 -7.482 11.830 3.005 1.00 0.00 O ATOM 860 CB THR A 61 -9.395 12.799 5.009 1.00 0.00 C ATOM 861 OG1 THR A 61 -9.933 12.989 6.315 1.00 0.00 O ATOM 862 CG2 THR A 61 -10.627 12.592 4.125 1.00 0.00 C ATOM 0 H THR A 61 -6.962 12.679 5.889 1.00 0.00 H new ATOM 0 HA THR A 61 -9.186 10.730 5.501 1.00 0.00 H new ATOM 0 HB THR A 61 -8.786 13.605 4.599 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.362 13.869 6.367 1.00 0.00 H new ATOM 0 HG21 THR A 61 -11.194 13.521 4.068 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.311 12.298 3.124 1.00 0.00 H new ATOM 0 HG23 THR A 61 -11.254 11.809 4.552 1.00 0.00 H new ATOM 870 N VAL A 62 -8.098 9.735 3.594 1.00 0.00 N ATOM 871 CA VAL A 62 -7.611 9.127 2.368 1.00 0.00 C ATOM 872 C VAL A 62 -8.043 9.980 1.174 1.00 0.00 C ATOM 873 O VAL A 62 -9.224 10.020 0.830 1.00 0.00 O ATOM 874 CB VAL A 62 -8.094 7.678 2.275 1.00 0.00 C ATOM 875 CG1 VAL A 62 -7.885 7.121 0.865 1.00 0.00 C ATOM 876 CG2 VAL A 62 -7.402 6.801 3.320 1.00 0.00 C ATOM 0 H VAL A 62 -8.517 9.082 4.256 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.522 9.093 2.365 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.164 7.667 2.485 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.236 6.090 0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.445 7.723 0.149 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.825 7.153 0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.763 5.776 3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.325 6.821 3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.624 7.180 4.318 1.00 0.00 H new ATOM 886 N LYS A 63 -7.064 10.641 0.574 1.00 0.00 N ATOM 887 CA LYS A 63 -7.329 11.490 -0.575 1.00 0.00 C ATOM 888 C LYS A 63 -7.740 10.620 -1.764 1.00 0.00 C ATOM 889 O LYS A 63 -8.845 10.759 -2.288 1.00 0.00 O ATOM 890 CB LYS A 63 -6.128 12.394 -0.861 1.00 0.00 C ATOM 891 CG LYS A 63 -6.509 13.526 -1.818 1.00 0.00 C ATOM 892 CD LYS A 63 -5.291 14.382 -2.168 1.00 0.00 C ATOM 893 CE LYS A 63 -5.607 15.342 -3.316 1.00 0.00 C ATOM 894 NZ LYS A 63 -4.446 15.460 -4.227 1.00 0.00 N ATOM 0 H LYS A 63 -6.086 10.606 0.862 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.163 12.161 -0.368 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.753 12.813 0.073 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.319 11.805 -1.293 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.938 13.108 -2.729 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.277 14.150 -1.361 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.976 14.949 -1.292 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.457 13.738 -2.447 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.476 14.984 -3.869 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.865 16.323 -2.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.677 16.115 -5.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.626 15.822 -3.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.218 14.525 -4.622 1.00 0.00 H new ATOM 908 N LYS A 64 -6.830 9.740 -2.155 1.00 0.00 N ATOM 909 CA LYS A 64 -7.084 8.847 -3.273 1.00 0.00 C ATOM 910 C LYS A 64 -6.180 7.618 -3.154 1.00 0.00 C ATOM 911 O LYS A 64 -5.013 7.736 -2.784 1.00 0.00 O ATOM 912 CB LYS A 64 -6.936 9.593 -4.600 1.00 0.00 C ATOM 913 CG LYS A 64 -7.097 8.640 -5.786 1.00 0.00 C ATOM 914 CD LYS A 64 -5.963 8.825 -6.796 1.00 0.00 C ATOM 915 CE LYS A 64 -6.050 7.784 -7.914 1.00 0.00 C ATOM 916 NZ LYS A 64 -7.174 8.096 -8.826 1.00 0.00 N ATOM 0 H LYS A 64 -5.916 9.626 -1.718 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.114 8.490 -3.248 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.683 10.385 -4.661 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.958 10.073 -4.645 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.107 7.610 -5.430 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.056 8.819 -6.273 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.011 9.827 -7.223 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.002 8.740 -6.289 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.115 7.763 -8.474 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.187 6.791 -7.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.198 7.399 -9.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.070 8.060 -8.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.045 9.048 -9.223 1.00 0.00 H new ATOM 930 N VAL A 65 -6.754 6.468 -3.474 1.00 0.00 N ATOM 931 CA VAL A 65 -6.014 5.219 -3.408 1.00 0.00 C ATOM 932 C VAL A 65 -5.327 4.966 -4.751 1.00 0.00 C ATOM 933 O VAL A 65 -5.777 5.458 -5.785 1.00 0.00 O ATOM 934 CB VAL A 65 -6.946 4.080 -2.989 1.00 0.00 C ATOM 935 CG1 VAL A 65 -6.162 2.788 -2.751 1.00 0.00 C ATOM 936 CG2 VAL A 65 -7.760 4.464 -1.752 1.00 0.00 C ATOM 0 H VAL A 65 -7.723 6.375 -3.780 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.233 5.278 -2.650 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.644 3.901 -3.807 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.849 1.995 -2.454 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.649 2.499 -3.668 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.429 2.948 -1.960 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.414 3.637 -1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.084 4.684 -0.926 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.363 5.345 -1.972 1.00 0.00 H new ATOM 946 N PHE A 66 -4.248 4.199 -4.693 1.00 0.00 N ATOM 947 CA PHE A 66 -3.495 3.875 -5.892 1.00 0.00 C ATOM 948 C PHE A 66 -3.544 2.373 -6.181 1.00 0.00 C ATOM 949 O PHE A 66 -3.516 1.959 -7.339 1.00 0.00 O ATOM 950 CB PHE A 66 -2.044 4.285 -5.633 1.00 0.00 C ATOM 951 CG PHE A 66 -1.807 5.796 -5.679 1.00 0.00 C ATOM 952 CD1 PHE A 66 -2.214 6.516 -6.759 1.00 0.00 C ATOM 953 CD2 PHE A 66 -1.189 6.419 -4.640 1.00 0.00 C ATOM 954 CE1 PHE A 66 -1.995 7.918 -6.802 1.00 0.00 C ATOM 955 CE2 PHE A 66 -0.970 7.822 -4.683 1.00 0.00 C ATOM 956 CZ PHE A 66 -1.377 8.541 -5.763 1.00 0.00 C ATOM 0 H PHE A 66 -3.878 3.793 -3.834 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.919 4.397 -6.750 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.740 3.909 -4.656 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.404 3.804 -6.373 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.704 6.021 -7.584 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.865 5.848 -3.783 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.319 8.489 -7.659 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.480 8.318 -3.858 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.209 9.607 -5.796 1.00 0.00 H new ATOM 966 N TYR A 67 -3.615 1.598 -5.109 1.00 0.00 N ATOM 967 CA TYR A 67 -3.668 0.151 -5.233 1.00 0.00 C ATOM 968 C TYR A 67 -5.009 -0.393 -4.735 1.00 0.00 C ATOM 969 O TYR A 67 -5.589 0.143 -3.793 1.00 0.00 O ATOM 970 CB TYR A 67 -2.549 -0.389 -4.340 1.00 0.00 C ATOM 971 CG TYR A 67 -1.147 -0.216 -4.927 1.00 0.00 C ATOM 972 CD1 TYR A 67 -0.459 0.965 -4.733 1.00 0.00 C ATOM 973 CD2 TYR A 67 -0.569 -1.240 -5.649 1.00 0.00 C ATOM 974 CE1 TYR A 67 0.861 1.129 -5.285 1.00 0.00 C ATOM 975 CE2 TYR A 67 0.751 -1.076 -6.201 1.00 0.00 C ATOM 976 CZ TYR A 67 1.400 0.100 -5.992 1.00 0.00 C ATOM 977 OH TYR A 67 2.647 0.254 -6.513 1.00 0.00 O ATOM 0 H TYR A 67 -3.637 1.945 -4.150 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.554 -0.150 -6.274 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.593 0.116 -3.375 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.726 -1.448 -4.154 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.911 1.766 -4.167 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.107 -2.164 -5.800 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.410 2.048 -5.141 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.215 -1.869 -6.768 1.00 0.00 H new ATOM 0 HH TYR A 67 2.905 -0.561 -6.992 1.00 0.00 H new ATOM 987 N ARG A 68 -5.462 -1.451 -5.392 1.00 0.00 N ATOM 988 CA ARG A 68 -6.723 -2.073 -5.028 1.00 0.00 C ATOM 989 C ARG A 68 -6.539 -3.582 -4.849 1.00 0.00 C ATOM 990 O ARG A 68 -5.433 -4.098 -5.002 1.00 0.00 O ATOM 991 CB ARG A 68 -7.790 -1.821 -6.095 1.00 0.00 C ATOM 992 CG ARG A 68 -8.042 -0.322 -6.275 1.00 0.00 C ATOM 993 CD ARG A 68 -9.501 -0.052 -6.647 1.00 0.00 C ATOM 994 NE ARG A 68 -9.603 0.283 -8.085 1.00 0.00 N ATOM 995 CZ ARG A 68 -10.621 0.966 -8.627 1.00 0.00 C ATOM 996 NH1 ARG A 68 -11.630 1.390 -7.854 1.00 0.00 N ATOM 997 NH2 ARG A 68 -10.630 1.224 -9.942 1.00 0.00 N ATOM 0 H ARG A 68 -4.978 -1.893 -6.174 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.052 -1.629 -4.088 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.472 -2.256 -7.042 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.718 -2.318 -5.811 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.794 0.205 -5.354 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.386 0.070 -7.053 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -10.110 -0.929 -6.425 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.893 0.768 -6.045 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.852 -0.025 -8.702 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.623 1.193 -6.853 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -12.405 1.910 -8.266 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.862 0.901 -10.530 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.405 1.744 -10.354 1.00 0.00 H new ATOM 1011 N GLU A 69 -7.639 -4.246 -4.527 1.00 0.00 N ATOM 1012 CA GLU A 69 -7.612 -5.685 -4.325 1.00 0.00 C ATOM 1013 C GLU A 69 -7.057 -6.385 -5.567 1.00 0.00 C ATOM 1014 O GLU A 69 -7.454 -6.073 -6.689 1.00 0.00 O ATOM 1015 CB GLU A 69 -9.003 -6.215 -3.972 1.00 0.00 C ATOM 1016 CG GLU A 69 -9.541 -5.543 -2.707 1.00 0.00 C ATOM 1017 CD GLU A 69 -11.069 -5.611 -2.658 1.00 0.00 C ATOM 1018 OE1 GLU A 69 -11.587 -6.748 -2.649 1.00 0.00 O ATOM 1019 OE2 GLU A 69 -11.684 -4.523 -2.630 1.00 0.00 O ATOM 0 H GLU A 69 -8.555 -3.815 -4.401 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.953 -5.902 -3.485 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.686 -6.035 -4.802 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.958 -7.294 -3.824 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.123 -6.030 -1.826 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.219 -4.502 -2.678 1.00 0.00 H new ATOM 1026 N GLY A 70 -6.149 -7.318 -5.325 1.00 0.00 N ATOM 1027 CA GLY A 70 -5.536 -8.065 -6.411 1.00 0.00 C ATOM 1028 C GLY A 70 -4.538 -7.196 -7.180 1.00 0.00 C ATOM 1029 O GLY A 70 -4.441 -7.291 -8.402 1.00 0.00 O ATOM 0 H GLY A 70 -5.823 -7.574 -4.393 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.027 -8.942 -6.012 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.308 -8.426 -7.090 1.00 0.00 H new ATOM 1033 N ALA A 71 -3.823 -6.369 -6.431 1.00 0.00 N ATOM 1034 CA ALA A 71 -2.837 -5.484 -7.027 1.00 0.00 C ATOM 1035 C ALA A 71 -1.440 -5.892 -6.553 1.00 0.00 C ATOM 1036 O ALA A 71 -1.287 -6.449 -5.468 1.00 0.00 O ATOM 1037 CB ALA A 71 -3.172 -4.034 -6.673 1.00 0.00 C ATOM 0 H ALA A 71 -3.907 -6.293 -5.417 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.854 -5.566 -8.114 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.432 -3.370 -7.120 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.162 -3.785 -7.056 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.161 -3.912 -5.590 1.00 0.00 H new ATOM 1043 N GLN A 72 -0.457 -5.598 -7.391 1.00 0.00 N ATOM 1044 CA GLN A 72 0.922 -5.926 -7.072 1.00 0.00 C ATOM 1045 C GLN A 72 1.708 -4.656 -6.744 1.00 0.00 C ATOM 1046 O GLN A 72 1.915 -3.808 -7.611 1.00 0.00 O ATOM 1047 CB GLN A 72 1.581 -6.699 -8.216 1.00 0.00 C ATOM 1048 CG GLN A 72 2.068 -8.070 -7.744 1.00 0.00 C ATOM 1049 CD GLN A 72 2.513 -8.931 -8.927 1.00 0.00 C ATOM 1050 OE1 GLN A 72 1.720 -9.365 -9.746 1.00 0.00 O ATOM 1051 NE2 GLN A 72 3.824 -9.153 -8.972 1.00 0.00 N ATOM 0 H GLN A 72 -0.588 -5.136 -8.291 1.00 0.00 H new ATOM 0 HA GLN A 72 0.927 -6.570 -6.192 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.870 -6.823 -9.032 1.00 0.00 H new ATOM 0 HB3 GLN A 72 2.421 -6.127 -8.610 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.898 -7.945 -7.048 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.270 -8.576 -7.201 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.433 -8.760 -8.254 1.00 0.00 H new ATOM 0 HE22 GLN A 72 4.220 -9.716 -9.724 1.00 0.00 H new ATOM 1060 N ALA A 73 2.126 -4.564 -5.490 1.00 0.00 N ATOM 1061 CA ALA A 73 2.885 -3.411 -5.036 1.00 0.00 C ATOM 1062 C ALA A 73 4.360 -3.796 -4.904 1.00 0.00 C ATOM 1063 O ALA A 73 4.696 -4.979 -4.878 1.00 0.00 O ATOM 1064 CB ALA A 73 2.296 -2.896 -3.721 1.00 0.00 C ATOM 0 H ALA A 73 1.953 -5.270 -4.774 1.00 0.00 H new ATOM 0 HA ALA A 73 2.820 -2.600 -5.761 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.866 -2.031 -3.381 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.256 -2.607 -3.876 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.346 -3.682 -2.968 1.00 0.00 H new ATOM 1070 N ASN A 74 5.201 -2.775 -4.823 1.00 0.00 N ATOM 1071 CA ASN A 74 6.631 -2.993 -4.694 1.00 0.00 C ATOM 1072 C ASN A 74 7.078 -2.595 -3.286 1.00 0.00 C ATOM 1073 O ASN A 74 6.324 -1.965 -2.546 1.00 0.00 O ATOM 1074 CB ASN A 74 7.411 -2.139 -5.696 1.00 0.00 C ATOM 1075 CG ASN A 74 8.000 -3.004 -6.812 1.00 0.00 C ATOM 1076 OD1 ASN A 74 9.186 -3.288 -6.852 1.00 0.00 O ATOM 1077 ND2 ASN A 74 7.108 -3.406 -7.713 1.00 0.00 N ATOM 0 H ASN A 74 4.919 -1.795 -4.844 1.00 0.00 H new ATOM 0 HA ASN A 74 6.830 -4.047 -4.886 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.753 -1.384 -6.125 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.212 -1.608 -5.181 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.402 -3.988 -8.497 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.130 -3.132 -7.620 1.00 0.00 H new ATOM 1084 N ARG A 75 8.303 -2.979 -2.957 1.00 0.00 N ATOM 1085 CA ARG A 75 8.859 -2.671 -1.651 1.00 0.00 C ATOM 1086 C ARG A 75 9.174 -1.177 -1.548 1.00 0.00 C ATOM 1087 O ARG A 75 10.100 -0.689 -2.194 1.00 0.00 O ATOM 1088 CB ARG A 75 10.135 -3.474 -1.391 1.00 0.00 C ATOM 1089 CG ARG A 75 10.343 -3.705 0.107 1.00 0.00 C ATOM 1090 CD ARG A 75 10.910 -5.101 0.373 1.00 0.00 C ATOM 1091 NE ARG A 75 12.248 -4.994 0.994 1.00 0.00 N ATOM 1092 CZ ARG A 75 12.460 -4.619 2.263 1.00 0.00 C ATOM 1093 NH1 ARG A 75 11.422 -4.314 3.053 1.00 0.00 N ATOM 1094 NH2 ARG A 75 13.709 -4.550 2.742 1.00 0.00 N ATOM 0 H ARG A 75 8.926 -3.501 -3.573 1.00 0.00 H new ATOM 0 HA ARG A 75 8.115 -2.942 -0.902 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.076 -4.433 -1.906 1.00 0.00 H new ATOM 0 HB3 ARG A 75 10.993 -2.943 -1.803 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.023 -2.951 0.504 1.00 0.00 H new ATOM 0 HG3 ARG A 75 9.395 -3.588 0.632 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.239 -5.656 1.029 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.977 -5.659 -0.561 1.00 0.00 H new ATOM 0 HE ARG A 75 13.061 -5.220 0.420 1.00 0.00 H new ATOM 0 HH11 ARG A 75 10.471 -4.367 2.689 1.00 0.00 H new ATOM 0 HH12 ARG A 75 11.583 -4.029 4.019 1.00 0.00 H new ATOM 0 HH21 ARG A 75 14.499 -4.783 2.141 1.00 0.00 H new ATOM 0 HH22 ARG A 75 13.870 -4.264 3.708 1.00 0.00 H new ATOM 1108 N HIS A 76 8.387 -0.493 -0.730 1.00 0.00 N ATOM 1109 CA HIS A 76 8.571 0.934 -0.534 1.00 0.00 C ATOM 1110 C HIS A 76 7.826 1.703 -1.627 1.00 0.00 C ATOM 1111 O HIS A 76 8.427 2.487 -2.360 1.00 0.00 O ATOM 1112 CB HIS A 76 10.058 1.287 -0.470 1.00 0.00 C ATOM 1113 CG HIS A 76 10.899 0.271 0.266 1.00 0.00 C ATOM 1114 ND1 HIS A 76 12.036 -0.299 -0.281 1.00 0.00 N ATOM 1115 CD2 HIS A 76 10.758 -0.269 1.510 1.00 0.00 C ATOM 1116 CE1 HIS A 76 12.547 -1.143 0.603 1.00 0.00 C ATOM 1117 NE2 HIS A 76 11.753 -1.124 1.712 1.00 0.00 N ATOM 0 H HIS A 76 7.620 -0.901 -0.195 1.00 0.00 H new ATOM 0 HA HIS A 76 8.145 1.230 0.425 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.440 1.393 -1.485 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.170 2.257 0.015 1.00 0.00 H new ATOM 0 HD2 HIS A 76 9.970 -0.040 2.212 1.00 0.00 H new ATOM 0 HE1 HIS A 76 13.436 -1.741 0.469 1.00 0.00 H new ATOM 0 HE2 HIS A 76 11.900 -1.676 2.557 1.00 0.00 H new ATOM 1125 N THR A 77 6.527 1.451 -1.703 1.00 0.00 N ATOM 1126 CA THR A 77 5.694 2.109 -2.695 1.00 0.00 C ATOM 1127 C THR A 77 4.485 2.764 -2.025 1.00 0.00 C ATOM 1128 O THR A 77 4.038 2.319 -0.969 1.00 0.00 O ATOM 1129 CB THR A 77 5.313 1.073 -3.755 1.00 0.00 C ATOM 1130 OG1 THR A 77 4.923 -0.070 -2.999 1.00 0.00 O ATOM 1131 CG2 THR A 77 6.520 0.592 -4.563 1.00 0.00 C ATOM 0 H THR A 77 6.031 0.800 -1.094 1.00 0.00 H new ATOM 0 HA THR A 77 6.232 2.918 -3.189 1.00 0.00 H new ATOM 0 HB THR A 77 4.571 1.500 -4.430 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.688 -0.675 -2.903 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.195 -0.142 -5.301 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.979 1.440 -5.072 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.248 0.134 -3.893 1.00 0.00 H new ATOM 1139 N PRO A 78 3.977 3.841 -2.683 1.00 0.00 N ATOM 1140 CA PRO A 78 2.828 4.563 -2.162 1.00 0.00 C ATOM 1141 C PRO A 78 1.537 3.773 -2.385 1.00 0.00 C ATOM 1142 O PRO A 78 1.142 3.531 -3.525 1.00 0.00 O ATOM 1143 CB PRO A 78 2.841 5.898 -2.887 1.00 0.00 C ATOM 1144 CG PRO A 78 3.713 5.697 -4.116 1.00 0.00 C ATOM 1145 CD PRO A 78 4.480 4.397 -3.935 1.00 0.00 C ATOM 0 HA PRO A 78 2.877 4.711 -1.083 1.00 0.00 H new ATOM 0 HB2 PRO A 78 1.832 6.199 -3.169 1.00 0.00 H new ATOM 0 HB3 PRO A 78 3.242 6.685 -2.248 1.00 0.00 H new ATOM 0 HG2 PRO A 78 3.100 5.657 -5.017 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.402 6.533 -4.236 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.307 3.716 -4.768 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.554 4.575 -3.886 1.00 0.00 H new ATOM 1153 N LEU A 79 0.915 3.392 -1.279 1.00 0.00 N ATOM 1154 CA LEU A 79 -0.324 2.635 -1.340 1.00 0.00 C ATOM 1155 C LEU A 79 -1.508 3.603 -1.369 1.00 0.00 C ATOM 1156 O LEU A 79 -2.347 3.536 -2.265 1.00 0.00 O ATOM 1157 CB LEU A 79 -0.388 1.619 -0.197 1.00 0.00 C ATOM 1158 CG LEU A 79 0.746 0.593 -0.149 1.00 0.00 C ATOM 1159 CD1 LEU A 79 0.747 -0.160 1.183 1.00 0.00 C ATOM 1160 CD2 LEU A 79 0.675 -0.359 -1.345 1.00 0.00 C ATOM 0 H LEU A 79 1.246 3.593 -0.335 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.368 2.050 -2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.399 2.164 0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.334 1.083 -0.266 1.00 0.00 H new ATOM 0 HG LEU A 79 1.694 1.127 -0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.562 -0.883 1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.881 0.548 2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.202 -0.682 1.307 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.492 -1.078 -1.287 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.277 -0.890 -1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.759 0.212 -2.270 1.00 0.00 H new ATOM 1172 N VAL A 80 -1.538 4.481 -0.377 1.00 0.00 N ATOM 1173 CA VAL A 80 -2.605 5.462 -0.277 1.00 0.00 C ATOM 1174 C VAL A 80 -1.998 6.851 -0.072 1.00 0.00 C ATOM 1175 O VAL A 80 -0.891 6.978 0.450 1.00 0.00 O ATOM 1176 CB VAL A 80 -3.579 5.065 0.834 1.00 0.00 C ATOM 1177 CG1 VAL A 80 -4.441 3.875 0.408 1.00 0.00 C ATOM 1178 CG2 VAL A 80 -2.832 4.763 2.135 1.00 0.00 C ATOM 0 H VAL A 80 -0.840 4.533 0.365 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.182 5.493 -1.201 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.242 5.911 1.017 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.124 3.613 1.216 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.014 4.140 -0.480 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.800 3.022 0.185 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.547 4.483 2.909 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.134 3.942 1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.282 5.649 2.453 1.00 0.00 H new ATOM 1188 N GLU A 81 -2.749 7.858 -0.492 1.00 0.00 N ATOM 1189 CA GLU A 81 -2.298 9.234 -0.361 1.00 0.00 C ATOM 1190 C GLU A 81 -3.259 10.024 0.529 1.00 0.00 C ATOM 1191 O GLU A 81 -4.457 10.086 0.254 1.00 0.00 O ATOM 1192 CB GLU A 81 -2.150 9.896 -1.732 1.00 0.00 C ATOM 1193 CG GLU A 81 -1.613 11.322 -1.598 1.00 0.00 C ATOM 1194 CD GLU A 81 -0.405 11.541 -2.512 1.00 0.00 C ATOM 1195 OE1 GLU A 81 -0.567 11.312 -3.730 1.00 0.00 O ATOM 1196 OE2 GLU A 81 0.652 11.932 -1.971 1.00 0.00 O ATOM 0 H GLU A 81 -3.667 7.749 -0.923 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.316 9.231 0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.476 9.307 -2.353 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.116 9.913 -2.237 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.398 12.035 -1.850 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.330 11.512 -0.563 1.00 0.00 H new ATOM 1203 N PHE A 82 -2.699 10.609 1.577 1.00 0.00 N ATOM 1204 CA PHE A 82 -3.492 11.393 2.509 1.00 0.00 C ATOM 1205 C PHE A 82 -3.773 12.789 1.950 1.00 0.00 C ATOM 1206 O PHE A 82 -3.021 13.291 1.115 1.00 0.00 O ATOM 1207 CB PHE A 82 -2.670 11.527 3.793 1.00 0.00 C ATOM 1208 CG PHE A 82 -2.860 10.370 4.776 1.00 0.00 C ATOM 1209 CD1 PHE A 82 -4.082 10.139 5.327 1.00 0.00 C ATOM 1210 CD2 PHE A 82 -1.806 9.573 5.100 1.00 0.00 C ATOM 1211 CE1 PHE A 82 -4.258 9.065 6.239 1.00 0.00 C ATOM 1212 CE2 PHE A 82 -1.982 8.499 6.013 1.00 0.00 C ATOM 1213 CZ PHE A 82 -3.204 8.268 6.563 1.00 0.00 C ATOM 0 H PHE A 82 -1.705 10.556 1.802 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.449 10.903 2.688 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.614 11.598 3.531 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.939 12.460 4.289 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.918 10.772 5.071 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.836 9.757 4.663 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.229 8.881 6.675 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.146 7.866 6.270 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.338 7.452 7.257 1.00 0.00 H new ATOM 1223 N GLU A 83 -4.857 13.378 2.433 1.00 0.00 N ATOM 1224 CA GLU A 83 -5.247 14.706 1.992 1.00 0.00 C ATOM 1225 C GLU A 83 -4.241 15.747 2.488 1.00 0.00 C ATOM 1226 O GLU A 83 -3.392 15.444 3.325 1.00 0.00 O ATOM 1227 CB GLU A 83 -6.663 15.046 2.460 1.00 0.00 C ATOM 1228 CG GLU A 83 -7.704 14.576 1.442 1.00 0.00 C ATOM 1229 CD GLU A 83 -7.982 15.662 0.400 1.00 0.00 C ATOM 1230 OE1 GLU A 83 -7.014 16.369 0.046 1.00 0.00 O ATOM 1231 OE2 GLU A 83 -9.156 15.761 -0.018 1.00 0.00 O ATOM 0 H GLU A 83 -5.478 12.959 3.126 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.247 14.720 0.902 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.854 14.576 3.425 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.753 16.122 2.607 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.350 13.673 0.945 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.629 14.315 1.956 1.00 0.00 H new