USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=12 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 50 MET CE :methyl 164:sc= -0.0133 (180deg=-0.398) USER MOD Set 1.2: A 52 HIS : no HE2:sc= -2.55! C(o=-2.6!,f=-13!) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 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 35 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 -150:sc= -2.32! USER MOD Single : A 43 MET CE :methyl 170:sc= -0.404 (180deg=-0.944) USER MOD Single : A 45 MET CE :methyl 159:sc= -2.86! (180deg=-4.6!) 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 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 -115:sc= -1.06! USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 160:sc= -1.37 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 30:sc= -0.322 USER MOD Single : A 72 GLN : amide:sc= -0.0153 X(o=-0.015,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= -1.4 K(o=-1.4,f=-0.26) USER MOD Single : A 77 THR OG1 : rot -104:sc= 0.82 USER MOD ----------------------------------------------------------------- ATOM 174 N GLY A 16 1.484 9.504 3.111 1.00 0.00 N ATOM 175 CA GLY A 16 1.081 8.183 2.659 1.00 0.00 C ATOM 176 C GLY A 16 2.080 7.118 3.118 1.00 0.00 C ATOM 177 O GLY A 16 3.280 7.378 3.192 1.00 0.00 O ATOM 0 HA2 GLY A 16 0.090 7.948 3.047 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.008 8.173 1.572 1.00 0.00 H new ATOM 181 N PRO A 17 1.533 5.911 3.424 1.00 0.00 N ATOM 182 CA PRO A 17 2.362 4.806 3.874 1.00 0.00 C ATOM 183 C PRO A 17 3.143 4.196 2.708 1.00 0.00 C ATOM 184 O PRO A 17 2.951 4.585 1.557 1.00 0.00 O ATOM 185 CB PRO A 17 1.396 3.826 4.519 1.00 0.00 C ATOM 186 CG PRO A 17 0.017 4.196 3.997 1.00 0.00 C ATOM 187 CD PRO A 17 0.116 5.567 3.349 1.00 0.00 C ATOM 0 HA PRO A 17 3.127 5.117 4.586 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.650 2.799 4.258 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.434 3.898 5.606 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.329 3.457 3.275 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.708 4.210 4.811 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.231 5.543 2.316 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.497 6.299 3.875 1.00 0.00 H new ATOM 195 N LEU A 18 4.007 3.251 3.047 1.00 0.00 N ATOM 196 CA LEU A 18 4.818 2.583 2.042 1.00 0.00 C ATOM 197 C LEU A 18 4.794 1.074 2.294 1.00 0.00 C ATOM 198 O LEU A 18 5.094 0.620 3.397 1.00 0.00 O ATOM 199 CB LEU A 18 6.227 3.179 2.009 1.00 0.00 C ATOM 200 CG LEU A 18 6.346 4.587 1.422 1.00 0.00 C ATOM 201 CD1 LEU A 18 7.800 5.065 1.437 1.00 0.00 C ATOM 202 CD2 LEU A 18 5.737 4.650 0.020 1.00 0.00 C ATOM 0 H LEU A 18 4.164 2.932 4.003 1.00 0.00 H new ATOM 0 HA LEU A 18 4.404 2.747 1.047 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.616 3.197 3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.869 2.512 1.434 1.00 0.00 H new ATOM 0 HG LEU A 18 5.775 5.269 2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.858 6.068 1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.167 5.082 2.463 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.412 4.386 0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.835 5.662 -0.374 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.260 3.953 -0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.682 4.380 0.069 1.00 0.00 H new ATOM 214 N ALA A 19 4.434 0.339 1.252 1.00 0.00 N ATOM 215 CA ALA A 19 4.366 -1.110 1.347 1.00 0.00 C ATOM 216 C ALA A 19 5.645 -1.634 2.004 1.00 0.00 C ATOM 217 O ALA A 19 6.713 -1.042 1.852 1.00 0.00 O ATOM 218 CB ALA A 19 4.142 -1.702 -0.046 1.00 0.00 C ATOM 0 H ALA A 19 4.186 0.719 0.338 1.00 0.00 H new ATOM 0 HA ALA A 19 3.526 -1.415 1.971 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.091 -2.789 0.024 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.207 -1.321 -0.457 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.968 -1.419 -0.699 1.00 0.00 H new ATOM 224 N PRO A 20 5.490 -2.767 2.740 1.00 0.00 N ATOM 225 CA PRO A 20 6.619 -3.377 3.421 1.00 0.00 C ATOM 226 C PRO A 20 7.529 -4.104 2.430 1.00 0.00 C ATOM 227 O PRO A 20 8.731 -3.844 2.379 1.00 0.00 O ATOM 228 CB PRO A 20 6.000 -4.307 4.452 1.00 0.00 C ATOM 229 CG PRO A 20 4.567 -4.535 4.001 1.00 0.00 C ATOM 230 CD PRO A 20 4.240 -3.494 2.942 1.00 0.00 C ATOM 0 HA PRO A 20 7.266 -2.644 3.903 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.547 -5.248 4.507 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.030 -3.863 5.447 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.449 -5.540 3.597 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.883 -4.449 4.845 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.900 -3.962 2.018 1.00 0.00 H new ATOM 0 HD3 PRO A 20 3.443 -2.828 3.274 1.00 0.00 H new ATOM 238 N MET A 21 6.923 -5.001 1.666 1.00 0.00 N ATOM 239 CA MET A 21 7.664 -5.767 0.679 1.00 0.00 C ATOM 240 C MET A 21 6.791 -6.084 -0.537 1.00 0.00 C ATOM 241 O MET A 21 5.605 -5.759 -0.556 1.00 0.00 O ATOM 242 CB MET A 21 8.155 -7.072 1.309 1.00 0.00 C ATOM 243 CG MET A 21 7.122 -7.630 2.290 1.00 0.00 C ATOM 244 SD MET A 21 7.794 -9.046 3.145 1.00 0.00 S ATOM 245 CE MET A 21 7.263 -8.683 4.810 1.00 0.00 C ATOM 0 H MET A 21 5.927 -5.214 1.711 1.00 0.00 H new ATOM 0 HA MET A 21 8.514 -5.171 0.347 1.00 0.00 H new ATOM 0 HB2 MET A 21 8.353 -7.805 0.527 1.00 0.00 H new ATOM 0 HB3 MET A 21 9.097 -6.897 1.828 1.00 0.00 H new ATOM 0 HG2 MET A 21 6.839 -6.861 3.009 1.00 0.00 H new ATOM 0 HG3 MET A 21 6.216 -7.914 1.754 1.00 0.00 H new ATOM 0 HE1 MET A 21 7.601 -9.473 5.480 1.00 0.00 H new ATOM 0 HE2 MET A 21 7.688 -7.731 5.128 1.00 0.00 H new ATOM 0 HE3 MET A 21 6.175 -8.623 4.840 1.00 0.00 H new ATOM 255 N THR A 22 7.412 -6.716 -1.523 1.00 0.00 N ATOM 256 CA THR A 22 6.707 -7.081 -2.739 1.00 0.00 C ATOM 257 C THR A 22 5.628 -8.123 -2.438 1.00 0.00 C ATOM 258 O THR A 22 5.939 -9.277 -2.147 1.00 0.00 O ATOM 259 CB THR A 22 7.742 -7.555 -3.761 1.00 0.00 C ATOM 260 OG1 THR A 22 8.724 -6.523 -3.766 1.00 0.00 O ATOM 261 CG2 THR A 22 7.196 -7.556 -5.191 1.00 0.00 C ATOM 0 H THR A 22 8.396 -6.984 -1.504 1.00 0.00 H new ATOM 0 HA THR A 22 6.179 -6.226 -3.162 1.00 0.00 H new ATOM 0 HB THR A 22 8.076 -8.559 -3.499 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.434 -6.751 -4.401 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.971 -7.901 -5.876 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.336 -8.222 -5.251 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.892 -6.546 -5.465 1.00 0.00 H new ATOM 269 N GLY A 23 4.383 -7.679 -2.520 1.00 0.00 N ATOM 270 CA GLY A 23 3.256 -8.559 -2.260 1.00 0.00 C ATOM 271 C GLY A 23 2.056 -8.186 -3.133 1.00 0.00 C ATOM 272 O GLY A 23 2.187 -7.402 -4.071 1.00 0.00 O ATOM 0 H GLY A 23 4.129 -6.721 -2.763 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.544 -9.592 -2.454 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.978 -8.498 -1.208 1.00 0.00 H new ATOM 276 N THR A 24 0.915 -8.767 -2.794 1.00 0.00 N ATOM 277 CA THR A 24 -0.307 -8.506 -3.535 1.00 0.00 C ATOM 278 C THR A 24 -1.425 -8.072 -2.585 1.00 0.00 C ATOM 279 O THR A 24 -1.623 -8.680 -1.535 1.00 0.00 O ATOM 280 CB THR A 24 -0.648 -9.761 -4.342 1.00 0.00 C ATOM 281 OG1 THR A 24 0.463 -9.921 -5.220 1.00 0.00 O ATOM 282 CG2 THR A 24 -1.837 -9.548 -5.280 1.00 0.00 C ATOM 0 H THR A 24 0.811 -9.418 -2.016 1.00 0.00 H new ATOM 0 HA THR A 24 -0.177 -7.679 -4.233 1.00 0.00 H new ATOM 0 HB THR A 24 -0.866 -10.583 -3.660 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.326 -10.714 -5.780 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.037 -10.468 -5.829 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.716 -9.275 -4.697 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.606 -8.749 -5.984 1.00 0.00 H new ATOM 290 N ILE A 25 -2.127 -7.024 -2.989 1.00 0.00 N ATOM 291 CA ILE A 25 -3.221 -6.501 -2.187 1.00 0.00 C ATOM 292 C ILE A 25 -4.366 -7.515 -2.172 1.00 0.00 C ATOM 293 O ILE A 25 -4.966 -7.794 -3.209 1.00 0.00 O ATOM 294 CB ILE A 25 -3.633 -5.114 -2.682 1.00 0.00 C ATOM 295 CG1 ILE A 25 -2.419 -4.190 -2.800 1.00 0.00 C ATOM 296 CG2 ILE A 25 -4.724 -4.516 -1.791 1.00 0.00 C ATOM 297 CD1 ILE A 25 -1.776 -3.953 -1.432 1.00 0.00 C ATOM 0 H ILE A 25 -1.960 -6.522 -3.861 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.904 -6.363 -1.153 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.055 -5.220 -3.681 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.688 -4.629 -3.478 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.723 -3.237 -3.233 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -4.999 -3.530 -2.165 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.599 -5.165 -1.802 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.352 -4.426 -0.770 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.916 -3.293 -1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.503 -3.492 -0.763 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.451 -4.905 -1.013 1.00 0.00 H new ATOM 309 N GLU A 26 -4.636 -8.039 -0.985 1.00 0.00 N ATOM 310 CA GLU A 26 -5.699 -9.015 -0.822 1.00 0.00 C ATOM 311 C GLU A 26 -7.029 -8.311 -0.544 1.00 0.00 C ATOM 312 O GLU A 26 -8.037 -8.606 -1.185 1.00 0.00 O ATOM 313 CB GLU A 26 -5.363 -10.011 0.290 1.00 0.00 C ATOM 314 CG GLU A 26 -6.433 -11.100 0.393 1.00 0.00 C ATOM 315 CD GLU A 26 -6.556 -11.872 -0.922 1.00 0.00 C ATOM 316 OE1 GLU A 26 -5.499 -12.313 -1.424 1.00 0.00 O ATOM 317 OE2 GLU A 26 -7.705 -12.005 -1.397 1.00 0.00 O ATOM 0 H GLU A 26 -4.136 -7.805 -0.127 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.795 -9.577 -1.751 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.393 -10.467 0.094 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.281 -9.485 1.241 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.181 -11.787 1.200 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.393 -10.649 0.646 1.00 0.00 H new ATOM 324 N LYS A 27 -6.988 -7.395 0.411 1.00 0.00 N ATOM 325 CA LYS A 27 -8.177 -6.646 0.781 1.00 0.00 C ATOM 326 C LYS A 27 -7.835 -5.157 0.855 1.00 0.00 C ATOM 327 O LYS A 27 -6.667 -4.790 0.971 1.00 0.00 O ATOM 328 CB LYS A 27 -8.780 -7.203 2.073 1.00 0.00 C ATOM 329 CG LYS A 27 -9.798 -8.305 1.772 1.00 0.00 C ATOM 330 CD LYS A 27 -11.196 -7.719 1.567 1.00 0.00 C ATOM 331 CE LYS A 27 -11.835 -8.259 0.286 1.00 0.00 C ATOM 332 NZ LYS A 27 -13.177 -7.668 0.087 1.00 0.00 N ATOM 0 H LYS A 27 -6.150 -7.154 0.940 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.950 -6.758 0.020 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.987 -7.599 2.708 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.262 -6.399 2.629 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.494 -8.851 0.879 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.817 -9.022 2.593 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.826 -7.963 2.423 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.135 -6.632 1.517 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.200 -8.029 -0.569 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.914 -9.345 0.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.596 -8.045 -0.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.786 -7.909 0.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.093 -6.634 0.012 1.00 0.00 H new ATOM 346 N VAL A 28 -8.875 -4.339 0.784 1.00 0.00 N ATOM 347 CA VAL A 28 -8.699 -2.898 0.841 1.00 0.00 C ATOM 348 C VAL A 28 -9.836 -2.282 1.659 1.00 0.00 C ATOM 349 O VAL A 28 -10.962 -2.169 1.177 1.00 0.00 O ATOM 350 CB VAL A 28 -8.603 -2.326 -0.575 1.00 0.00 C ATOM 351 CG1 VAL A 28 -8.661 -0.797 -0.554 1.00 0.00 C ATOM 352 CG2 VAL A 28 -7.338 -2.817 -1.280 1.00 0.00 C ATOM 0 H VAL A 28 -9.843 -4.647 0.687 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.764 -2.647 1.342 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.463 -2.686 -1.141 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.591 -0.416 -1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.603 -0.475 -0.110 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.831 -0.409 0.036 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.294 -2.396 -2.284 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.461 -2.501 -0.715 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.356 -3.905 -1.343 1.00 0.00 H new ATOM 362 N PHE A 29 -9.502 -1.899 2.882 1.00 0.00 N ATOM 363 CA PHE A 29 -10.480 -1.297 3.772 1.00 0.00 C ATOM 364 C PHE A 29 -10.283 0.218 3.860 1.00 0.00 C ATOM 365 O PHE A 29 -10.206 0.775 4.953 1.00 0.00 O ATOM 366 CB PHE A 29 -10.262 -1.909 5.157 1.00 0.00 C ATOM 367 CG PHE A 29 -10.280 -3.439 5.171 1.00 0.00 C ATOM 368 CD1 PHE A 29 -11.361 -4.110 4.691 1.00 0.00 C ATOM 369 CD2 PHE A 29 -9.216 -4.127 5.664 1.00 0.00 C ATOM 370 CE1 PHE A 29 -11.378 -5.530 4.705 1.00 0.00 C ATOM 371 CE2 PHE A 29 -9.232 -5.547 5.677 1.00 0.00 C ATOM 372 CZ PHE A 29 -10.313 -6.218 5.197 1.00 0.00 C ATOM 0 H PHE A 29 -8.567 -1.994 3.278 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.487 -1.484 3.399 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.305 -1.563 5.549 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.035 -1.541 5.832 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.206 -3.563 4.299 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.358 -3.593 6.046 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.237 -6.064 4.325 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.386 -6.093 6.068 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.326 -7.298 5.206 1.00 0.00 H new ATOM 382 N VAL A 30 -10.206 0.841 2.693 1.00 0.00 N ATOM 383 CA VAL A 30 -10.019 2.280 2.624 1.00 0.00 C ATOM 384 C VAL A 30 -10.695 2.818 1.361 1.00 0.00 C ATOM 385 O VAL A 30 -11.342 2.069 0.631 1.00 0.00 O ATOM 386 CB VAL A 30 -8.529 2.618 2.695 1.00 0.00 C ATOM 387 CG1 VAL A 30 -7.931 2.185 4.035 1.00 0.00 C ATOM 388 CG2 VAL A 30 -7.768 1.989 1.526 1.00 0.00 C ATOM 0 H VAL A 30 -10.270 0.375 1.788 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.490 2.768 3.477 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.427 3.700 2.618 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.871 2.437 4.059 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.445 2.701 4.846 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.051 1.108 4.156 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.711 2.245 1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.882 0.905 1.558 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.168 2.368 0.586 1.00 0.00 H new ATOM 398 N LYS A 31 -10.522 4.114 1.142 1.00 0.00 N ATOM 399 CA LYS A 31 -11.107 4.761 -0.020 1.00 0.00 C ATOM 400 C LYS A 31 -10.821 6.262 0.040 1.00 0.00 C ATOM 401 O LYS A 31 -10.415 6.780 1.079 1.00 0.00 O ATOM 402 CB LYS A 31 -12.595 4.422 -0.129 1.00 0.00 C ATOM 403 CG LYS A 31 -13.303 4.622 1.212 1.00 0.00 C ATOM 404 CD LYS A 31 -14.027 5.970 1.255 1.00 0.00 C ATOM 405 CE LYS A 31 -15.293 5.939 0.397 1.00 0.00 C ATOM 406 NZ LYS A 31 -16.276 6.929 0.889 1.00 0.00 N ATOM 0 H LYS A 31 -9.985 4.733 1.750 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.650 4.386 -0.936 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.060 5.052 -0.887 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.713 3.389 -0.456 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -14.019 3.816 1.373 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.576 4.570 2.022 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.287 6.215 2.285 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.361 6.756 0.899 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.041 6.153 -0.642 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.731 4.941 0.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -17.130 6.895 0.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.529 6.707 1.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.861 7.882 0.845 1.00 0.00 H new ATOM 420 N ALA A 32 -11.044 6.920 -1.089 1.00 0.00 N ATOM 421 CA ALA A 32 -10.815 8.352 -1.178 1.00 0.00 C ATOM 422 C ALA A 32 -11.868 9.086 -0.345 1.00 0.00 C ATOM 423 O ALA A 32 -12.996 8.615 -0.211 1.00 0.00 O ATOM 424 CB ALA A 32 -10.830 8.782 -2.646 1.00 0.00 C ATOM 0 H ALA A 32 -11.381 6.488 -1.949 1.00 0.00 H new ATOM 0 HA ALA A 32 -9.836 8.609 -0.773 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -10.658 9.856 -2.712 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -10.045 8.255 -3.188 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -11.798 8.542 -3.086 1.00 0.00 H new ATOM 430 N GLY A 33 -11.462 10.226 0.193 1.00 0.00 N ATOM 431 CA GLY A 33 -12.357 11.029 1.009 1.00 0.00 C ATOM 432 C GLY A 33 -12.877 10.227 2.204 1.00 0.00 C ATOM 433 O GLY A 33 -13.966 10.495 2.709 1.00 0.00 O ATOM 0 H GLY A 33 -10.525 10.613 0.080 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.834 11.917 1.363 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.196 11.373 0.404 1.00 0.00 H new ATOM 437 N ASP A 34 -12.074 9.260 2.621 1.00 0.00 N ATOM 438 CA ASP A 34 -12.439 8.417 3.747 1.00 0.00 C ATOM 439 C ASP A 34 -11.753 8.938 5.012 1.00 0.00 C ATOM 440 O ASP A 34 -10.927 9.847 4.945 1.00 0.00 O ATOM 441 CB ASP A 34 -11.986 6.973 3.524 1.00 0.00 C ATOM 442 CG ASP A 34 -12.723 5.927 4.364 1.00 0.00 C ATOM 443 OD1 ASP A 34 -13.865 6.229 4.772 1.00 0.00 O ATOM 444 OD2 ASP A 34 -12.126 4.850 4.580 1.00 0.00 O ATOM 0 H ASP A 34 -11.171 9.041 2.199 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.524 8.443 3.850 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.114 6.727 2.470 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.920 6.905 3.740 1.00 0.00 H new ATOM 449 N LYS A 35 -12.121 8.339 6.135 1.00 0.00 N ATOM 450 CA LYS A 35 -11.552 8.731 7.413 1.00 0.00 C ATOM 451 C LYS A 35 -10.976 7.496 8.110 1.00 0.00 C ATOM 452 O LYS A 35 -11.664 6.488 8.262 1.00 0.00 O ATOM 453 CB LYS A 35 -12.586 9.484 8.252 1.00 0.00 C ATOM 454 CG LYS A 35 -13.199 10.640 7.458 1.00 0.00 C ATOM 455 CD LYS A 35 -12.260 11.848 7.435 1.00 0.00 C ATOM 456 CE LYS A 35 -13.018 13.125 7.066 1.00 0.00 C ATOM 457 NZ LYS A 35 -13.239 13.962 8.266 1.00 0.00 N ATOM 0 H LYS A 35 -12.806 7.585 6.186 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.727 9.428 7.265 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -13.372 8.798 8.569 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -12.115 9.869 9.157 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.406 10.316 6.438 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -14.153 10.925 7.901 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.792 11.968 8.412 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.458 11.676 6.717 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.454 13.688 6.322 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.976 12.868 6.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.755 14.824 7.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -13.796 13.429 8.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.322 14.222 8.681 1.00 0.00 H new ATOM 471 N VAL A 36 -9.720 7.616 8.515 1.00 0.00 N ATOM 472 CA VAL A 36 -9.045 6.523 9.192 1.00 0.00 C ATOM 473 C VAL A 36 -8.456 7.031 10.510 1.00 0.00 C ATOM 474 O VAL A 36 -8.498 8.227 10.793 1.00 0.00 O ATOM 475 CB VAL A 36 -7.995 5.903 8.268 1.00 0.00 C ATOM 476 CG1 VAL A 36 -8.657 5.086 7.157 1.00 0.00 C ATOM 477 CG2 VAL A 36 -7.076 6.978 7.684 1.00 0.00 C ATOM 0 H VAL A 36 -9.153 8.454 8.387 1.00 0.00 H new ATOM 0 HA VAL A 36 -9.752 5.730 9.436 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.383 5.225 8.863 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.889 4.656 6.514 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -9.250 4.285 7.598 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -9.304 5.734 6.566 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.339 6.511 7.031 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.669 7.691 7.111 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.565 7.499 8.494 1.00 0.00 H new ATOM 487 N LYS A 37 -7.920 6.096 11.281 1.00 0.00 N ATOM 488 CA LYS A 37 -7.323 6.434 12.562 1.00 0.00 C ATOM 489 C LYS A 37 -5.956 5.757 12.677 1.00 0.00 C ATOM 490 O LYS A 37 -5.819 4.571 12.379 1.00 0.00 O ATOM 491 CB LYS A 37 -8.278 6.089 13.706 1.00 0.00 C ATOM 492 CG LYS A 37 -9.454 7.068 13.752 1.00 0.00 C ATOM 493 CD LYS A 37 -9.584 7.702 15.138 1.00 0.00 C ATOM 494 CE LYS A 37 -11.026 7.625 15.643 1.00 0.00 C ATOM 495 NZ LYS A 37 -11.695 8.938 15.507 1.00 0.00 N ATOM 0 H LYS A 37 -7.887 5.105 11.043 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.154 7.509 12.632 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.651 5.073 13.579 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.741 6.116 14.654 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.313 7.847 13.003 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.377 6.546 13.499 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.922 7.193 15.838 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.264 8.743 15.097 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.575 6.871 15.079 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.035 7.312 16.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.673 8.867 15.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.180 9.649 16.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.703 9.222 14.506 1.00 0.00 H new ATOM 509 N ALA A 38 -4.978 6.539 13.111 1.00 0.00 N ATOM 510 CA ALA A 38 -3.627 6.029 13.269 1.00 0.00 C ATOM 511 C ALA A 38 -3.684 4.616 13.851 1.00 0.00 C ATOM 512 O ALA A 38 -4.206 4.412 14.946 1.00 0.00 O ATOM 513 CB ALA A 38 -2.819 6.988 14.146 1.00 0.00 C ATOM 0 H ALA A 38 -5.095 7.522 13.358 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.125 5.968 12.303 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.805 6.606 14.265 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.784 7.970 13.674 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.292 7.072 15.124 1.00 0.00 H new ATOM 519 N GLY A 39 -3.140 3.675 13.092 1.00 0.00 N ATOM 520 CA GLY A 39 -3.122 2.287 13.519 1.00 0.00 C ATOM 521 C GLY A 39 -4.415 1.573 13.117 1.00 0.00 C ATOM 522 O GLY A 39 -4.943 0.762 13.877 1.00 0.00 O ATOM 0 H GLY A 39 -2.709 3.847 12.184 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.267 1.777 13.074 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.996 2.237 14.601 1.00 0.00 H new ATOM 526 N ASP A 40 -4.887 1.901 11.924 1.00 0.00 N ATOM 527 CA ASP A 40 -6.108 1.302 11.411 1.00 0.00 C ATOM 528 C ASP A 40 -5.768 0.393 10.229 1.00 0.00 C ATOM 529 O ASP A 40 -4.814 0.653 9.496 1.00 0.00 O ATOM 530 CB ASP A 40 -7.083 2.373 10.919 1.00 0.00 C ATOM 531 CG ASP A 40 -8.079 2.873 11.968 1.00 0.00 C ATOM 532 OD1 ASP A 40 -7.669 2.956 13.145 1.00 0.00 O ATOM 533 OD2 ASP A 40 -9.228 3.160 11.568 1.00 0.00 O ATOM 0 H ASP A 40 -4.446 2.574 11.297 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.571 0.737 12.220 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.509 3.223 10.550 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.641 1.974 10.072 1.00 0.00 H new ATOM 538 N SER A 41 -6.566 -0.654 10.079 1.00 0.00 N ATOM 539 CA SER A 41 -6.361 -1.603 8.998 1.00 0.00 C ATOM 540 C SER A 41 -6.789 -0.980 7.668 1.00 0.00 C ATOM 541 O SER A 41 -7.969 -0.997 7.321 1.00 0.00 O ATOM 542 CB SER A 41 -7.133 -2.900 9.250 1.00 0.00 C ATOM 543 OG SER A 41 -6.310 -3.906 9.833 1.00 0.00 O ATOM 0 H SER A 41 -7.356 -0.866 10.688 1.00 0.00 H new ATOM 0 HA SER A 41 -5.300 -1.847 8.953 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.978 -2.697 9.908 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.542 -3.267 8.309 1.00 0.00 H new ATOM 0 HG SER A 41 -6.629 -4.790 9.557 1.00 0.00 H new ATOM 549 N LEU A 42 -5.806 -0.446 6.958 1.00 0.00 N ATOM 550 CA LEU A 42 -6.066 0.181 5.673 1.00 0.00 C ATOM 551 C LEU A 42 -6.365 -0.902 4.634 1.00 0.00 C ATOM 552 O LEU A 42 -7.488 -1.000 4.141 1.00 0.00 O ATOM 553 CB LEU A 42 -4.909 1.104 5.283 1.00 0.00 C ATOM 554 CG LEU A 42 -4.651 2.287 6.219 1.00 0.00 C ATOM 555 CD1 LEU A 42 -3.362 3.016 5.837 1.00 0.00 C ATOM 556 CD2 LEU A 42 -5.855 3.231 6.254 1.00 0.00 C ATOM 0 H LEU A 42 -4.828 -0.435 7.248 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.947 0.820 5.732 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.999 0.508 5.224 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.101 1.493 4.283 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.515 1.901 7.229 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.202 3.852 6.517 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.520 2.327 5.905 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.444 3.389 4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.646 4.063 6.926 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.046 3.614 5.252 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.732 2.689 6.609 1.00 0.00 H new ATOM 568 N MET A 43 -5.342 -1.687 4.332 1.00 0.00 N ATOM 569 CA MET A 43 -5.481 -2.758 3.360 1.00 0.00 C ATOM 570 C MET A 43 -4.721 -4.008 3.809 1.00 0.00 C ATOM 571 O MET A 43 -4.044 -3.991 4.836 1.00 0.00 O ATOM 572 CB MET A 43 -4.944 -2.293 2.006 1.00 0.00 C ATOM 573 CG MET A 43 -5.718 -1.075 1.498 1.00 0.00 C ATOM 574 SD MET A 43 -4.633 0.339 1.392 1.00 0.00 S ATOM 575 CE MET A 43 -4.165 0.242 -0.328 1.00 0.00 C ATOM 0 H MET A 43 -4.413 -1.603 4.744 1.00 0.00 H new ATOM 0 HA MET A 43 -6.538 -3.009 3.274 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.887 -2.045 2.096 1.00 0.00 H new ATOM 0 HB3 MET A 43 -5.020 -3.105 1.282 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.147 -1.289 0.519 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.549 -0.856 2.169 1.00 0.00 H new ATOM 0 HE1 MET A 43 -3.631 1.149 -0.611 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.519 -0.623 -0.481 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.059 0.140 -0.943 1.00 0.00 H new ATOM 585 N VAL A 44 -4.860 -5.062 3.018 1.00 0.00 N ATOM 586 CA VAL A 44 -4.194 -6.317 3.321 1.00 0.00 C ATOM 587 C VAL A 44 -3.348 -6.744 2.120 1.00 0.00 C ATOM 588 O VAL A 44 -3.820 -6.723 0.984 1.00 0.00 O ATOM 589 CB VAL A 44 -5.226 -7.371 3.729 1.00 0.00 C ATOM 590 CG1 VAL A 44 -4.562 -8.731 3.953 1.00 0.00 C ATOM 591 CG2 VAL A 44 -6.000 -6.927 4.973 1.00 0.00 C ATOM 0 H VAL A 44 -5.424 -5.072 2.168 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.519 -6.196 4.168 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.938 -7.477 2.911 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.318 -9.462 4.242 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.077 -9.055 3.032 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.818 -8.646 4.745 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.727 -7.693 5.242 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.306 -6.779 5.800 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.519 -5.992 4.764 1.00 0.00 H new ATOM 601 N MET A 45 -2.112 -7.121 2.412 1.00 0.00 N ATOM 602 CA MET A 45 -1.195 -7.552 1.370 1.00 0.00 C ATOM 603 C MET A 45 -0.848 -9.034 1.524 1.00 0.00 C ATOM 604 O MET A 45 -1.099 -9.629 2.571 1.00 0.00 O ATOM 605 CB MET A 45 0.086 -6.717 1.440 1.00 0.00 C ATOM 606 CG MET A 45 0.071 -5.602 0.393 1.00 0.00 C ATOM 607 SD MET A 45 1.630 -4.732 0.405 1.00 0.00 S ATOM 608 CE MET A 45 2.402 -5.461 -1.030 1.00 0.00 C ATOM 0 H MET A 45 -1.724 -7.137 3.355 1.00 0.00 H new ATOM 0 HA MET A 45 -1.679 -7.410 0.404 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.189 -6.285 2.435 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.952 -7.359 1.280 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.112 -6.023 -0.596 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.744 -4.908 0.600 1.00 0.00 H new ATOM 0 HE1 MET A 45 3.191 -4.803 -1.392 1.00 0.00 H new ATOM 0 HE2 MET A 45 2.830 -6.427 -0.762 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.657 -5.599 -1.813 1.00 0.00 H new ATOM 618 N ILE A 46 -0.276 -9.587 0.465 1.00 0.00 N ATOM 619 CA ILE A 46 0.108 -10.989 0.469 1.00 0.00 C ATOM 620 C ILE A 46 1.486 -11.138 -0.181 1.00 0.00 C ATOM 621 O ILE A 46 1.628 -10.963 -1.390 1.00 0.00 O ATOM 622 CB ILE A 46 -0.977 -11.844 -0.189 1.00 0.00 C ATOM 623 CG1 ILE A 46 -2.323 -11.657 0.515 1.00 0.00 C ATOM 624 CG2 ILE A 46 -0.558 -13.314 -0.244 1.00 0.00 C ATOM 625 CD1 ILE A 46 -2.362 -12.428 1.836 1.00 0.00 C ATOM 0 H ILE A 46 -0.069 -9.090 -0.402 1.00 0.00 H new ATOM 0 HA ILE A 46 0.195 -11.357 1.491 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.102 -11.507 -1.218 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.495 -10.597 0.703 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.128 -12.000 -0.135 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.347 -13.900 -0.716 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.361 -13.409 -0.823 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.389 -13.682 0.768 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.329 -12.278 2.316 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.214 -13.490 1.642 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.571 -12.065 2.492 1.00 0.00 H new ATOM 637 N ALA A 47 2.466 -11.458 0.651 1.00 0.00 N ATOM 638 CA ALA A 47 3.827 -11.632 0.173 1.00 0.00 C ATOM 639 C ALA A 47 4.270 -13.075 0.423 1.00 0.00 C ATOM 640 O ALA A 47 4.262 -13.898 -0.491 1.00 0.00 O ATOM 641 CB ALA A 47 4.742 -10.615 0.857 1.00 0.00 C ATOM 0 H ALA A 47 2.345 -11.601 1.654 1.00 0.00 H new ATOM 0 HA ALA A 47 3.883 -11.451 -0.900 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.763 -10.745 0.499 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.402 -9.606 0.625 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.714 -10.768 1.936 1.00 0.00 H new ATOM 647 N MET A 48 4.646 -13.338 1.666 1.00 0.00 N ATOM 648 CA MET A 48 5.091 -14.668 2.048 1.00 0.00 C ATOM 649 C MET A 48 3.908 -15.543 2.466 1.00 0.00 C ATOM 650 O MET A 48 3.902 -16.102 3.562 1.00 0.00 O ATOM 651 CB MET A 48 6.083 -14.561 3.208 1.00 0.00 C ATOM 652 CG MET A 48 7.522 -14.491 2.694 1.00 0.00 C ATOM 653 SD MET A 48 8.322 -16.073 2.902 1.00 0.00 S ATOM 654 CE MET A 48 9.381 -15.704 4.291 1.00 0.00 C ATOM 0 H MET A 48 4.652 -12.653 2.422 1.00 0.00 H new ATOM 0 HA MET A 48 5.574 -15.130 1.187 1.00 0.00 H new ATOM 0 HB2 MET A 48 5.861 -13.673 3.800 1.00 0.00 H new ATOM 0 HB3 MET A 48 5.970 -15.421 3.868 1.00 0.00 H new ATOM 0 HG2 MET A 48 7.528 -14.207 1.642 1.00 0.00 H new ATOM 0 HG3 MET A 48 8.073 -13.722 3.235 1.00 0.00 H new ATOM 0 HE1 MET A 48 9.957 -16.591 4.555 1.00 0.00 H new ATOM 0 HE2 MET A 48 10.061 -14.895 4.025 1.00 0.00 H new ATOM 0 HE3 MET A 48 8.772 -15.400 5.142 1.00 0.00 H new ATOM 664 N LYS A 49 2.936 -15.636 1.571 1.00 0.00 N ATOM 665 CA LYS A 49 1.750 -16.434 1.834 1.00 0.00 C ATOM 666 C LYS A 49 1.182 -16.059 3.204 1.00 0.00 C ATOM 667 O LYS A 49 0.475 -16.852 3.825 1.00 0.00 O ATOM 668 CB LYS A 49 2.064 -17.924 1.685 1.00 0.00 C ATOM 669 CG LYS A 49 1.729 -18.416 0.275 1.00 0.00 C ATOM 670 CD LYS A 49 1.908 -19.932 0.167 1.00 0.00 C ATOM 671 CE LYS A 49 2.185 -20.349 -1.279 1.00 0.00 C ATOM 672 NZ LYS A 49 1.034 -21.099 -1.831 1.00 0.00 N ATOM 0 H LYS A 49 2.945 -15.172 0.663 1.00 0.00 H new ATOM 0 HA LYS A 49 0.975 -16.220 1.098 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.119 -18.100 1.894 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.494 -18.495 2.418 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.702 -18.149 0.027 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.372 -17.918 -0.450 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.732 -20.251 0.806 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.011 -20.435 0.529 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.377 -19.466 -1.888 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.083 -20.966 -1.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.238 -21.375 -2.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.869 -21.952 -1.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.185 -20.498 -1.809 1.00 0.00 H new ATOM 686 N MET A 50 1.511 -14.851 3.636 1.00 0.00 N ATOM 687 CA MET A 50 1.043 -14.361 4.921 1.00 0.00 C ATOM 688 C MET A 50 0.278 -13.046 4.761 1.00 0.00 C ATOM 689 O MET A 50 0.559 -12.266 3.852 1.00 0.00 O ATOM 690 CB MET A 50 2.237 -14.147 5.852 1.00 0.00 C ATOM 691 CG MET A 50 1.882 -13.184 6.987 1.00 0.00 C ATOM 692 SD MET A 50 3.021 -13.394 8.345 1.00 0.00 S ATOM 693 CE MET A 50 4.551 -12.956 7.536 1.00 0.00 C ATOM 0 H MET A 50 2.097 -14.196 3.118 1.00 0.00 H new ATOM 0 HA MET A 50 0.368 -15.103 5.347 1.00 0.00 H new ATOM 0 HB2 MET A 50 2.554 -15.103 6.268 1.00 0.00 H new ATOM 0 HB3 MET A 50 3.079 -13.751 5.284 1.00 0.00 H new ATOM 0 HG2 MET A 50 1.918 -12.156 6.627 1.00 0.00 H new ATOM 0 HG3 MET A 50 0.862 -13.368 7.325 1.00 0.00 H new ATOM 0 HE1 MET A 50 5.316 -12.757 8.287 1.00 0.00 H new ATOM 0 HE2 MET A 50 4.874 -13.779 6.899 1.00 0.00 H new ATOM 0 HE3 MET A 50 4.399 -12.064 6.928 1.00 0.00 H new ATOM 703 N GLU A 51 -0.675 -12.840 5.658 1.00 0.00 N ATOM 704 CA GLU A 51 -1.483 -11.632 5.627 1.00 0.00 C ATOM 705 C GLU A 51 -0.762 -10.493 6.351 1.00 0.00 C ATOM 706 O GLU A 51 -0.526 -10.570 7.556 1.00 0.00 O ATOM 707 CB GLU A 51 -2.865 -11.881 6.236 1.00 0.00 C ATOM 708 CG GLU A 51 -3.521 -13.117 5.618 1.00 0.00 C ATOM 709 CD GLU A 51 -3.352 -14.339 6.524 1.00 0.00 C ATOM 710 OE1 GLU A 51 -3.292 -14.128 7.754 1.00 0.00 O ATOM 711 OE2 GLU A 51 -3.287 -15.455 5.965 1.00 0.00 O ATOM 0 H GLU A 51 -0.906 -13.489 6.411 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.628 -11.341 4.587 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.773 -12.014 7.314 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.500 -11.009 6.076 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.581 -12.926 5.453 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.078 -13.319 4.643 1.00 0.00 H new ATOM 718 N HIS A 52 -0.433 -9.463 5.586 1.00 0.00 N ATOM 719 CA HIS A 52 0.256 -8.310 6.140 1.00 0.00 C ATOM 720 C HIS A 52 -0.714 -7.131 6.238 1.00 0.00 C ATOM 721 O HIS A 52 -0.986 -6.462 5.242 1.00 0.00 O ATOM 722 CB HIS A 52 1.508 -7.981 5.323 1.00 0.00 C ATOM 723 CG HIS A 52 2.127 -9.177 4.640 1.00 0.00 C ATOM 724 ND1 HIS A 52 2.815 -10.161 5.328 1.00 0.00 N ATOM 725 CD2 HIS A 52 2.153 -9.537 3.324 1.00 0.00 C ATOM 726 CE1 HIS A 52 3.233 -11.067 4.456 1.00 0.00 C ATOM 727 NE2 HIS A 52 2.822 -10.678 3.215 1.00 0.00 N ATOM 0 H HIS A 52 -0.631 -9.403 4.587 1.00 0.00 H new ATOM 0 HA HIS A 52 0.600 -8.538 7.149 1.00 0.00 H new ATOM 0 HB2 HIS A 52 1.252 -7.237 4.569 1.00 0.00 H new ATOM 0 HB3 HIS A 52 2.249 -7.527 5.980 1.00 0.00 H new ATOM 0 HD1 HIS A 52 2.973 -10.185 6.335 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.705 -8.987 2.510 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.800 -11.957 4.687 1.00 0.00 H new ATOM 735 N THR A 53 -1.209 -6.912 7.447 1.00 0.00 N ATOM 736 CA THR A 53 -2.143 -5.826 7.688 1.00 0.00 C ATOM 737 C THR A 53 -1.412 -4.482 7.679 1.00 0.00 C ATOM 738 O THR A 53 -0.763 -4.117 8.658 1.00 0.00 O ATOM 739 CB THR A 53 -2.872 -6.112 9.003 1.00 0.00 C ATOM 740 OG1 THR A 53 -3.468 -7.390 8.798 1.00 0.00 O ATOM 741 CG2 THR A 53 -4.062 -5.177 9.228 1.00 0.00 C ATOM 0 H THR A 53 -0.981 -7.469 8.271 1.00 0.00 H new ATOM 0 HA THR A 53 -2.887 -5.761 6.894 1.00 0.00 H new ATOM 0 HB THR A 53 -2.173 -6.016 9.834 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.960 -7.654 9.603 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.544 -5.423 10.174 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.713 -4.145 9.255 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.778 -5.297 8.415 1.00 0.00 H new ATOM 749 N ILE A 54 -1.541 -3.782 6.561 1.00 0.00 N ATOM 750 CA ILE A 54 -0.900 -2.486 6.411 1.00 0.00 C ATOM 751 C ILE A 54 -1.610 -1.465 7.303 1.00 0.00 C ATOM 752 O ILE A 54 -2.626 -0.894 6.912 1.00 0.00 O ATOM 753 CB ILE A 54 -0.847 -2.082 4.937 1.00 0.00 C ATOM 754 CG1 ILE A 54 0.355 -2.721 4.237 1.00 0.00 C ATOM 755 CG2 ILE A 54 -0.856 -0.560 4.784 1.00 0.00 C ATOM 756 CD1 ILE A 54 0.025 -4.139 3.766 1.00 0.00 C ATOM 0 H ILE A 54 -2.080 -4.088 5.751 1.00 0.00 H new ATOM 0 HA ILE A 54 0.137 -2.533 6.742 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.744 -2.460 4.447 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.651 -2.110 3.384 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.205 -2.749 4.919 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.818 -0.300 3.726 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.767 -0.155 5.224 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.011 -0.138 5.293 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.896 -4.570 3.272 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.247 -4.753 4.624 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.809 -4.105 3.066 1.00 0.00 H new ATOM 768 N LYS A 55 -1.045 -1.267 8.485 1.00 0.00 N ATOM 769 CA LYS A 55 -1.611 -0.325 9.436 1.00 0.00 C ATOM 770 C LYS A 55 -1.213 1.098 9.036 1.00 0.00 C ATOM 771 O LYS A 55 -0.120 1.317 8.517 1.00 0.00 O ATOM 772 CB LYS A 55 -1.208 -0.697 10.864 1.00 0.00 C ATOM 773 CG LYS A 55 -2.010 -1.902 11.363 1.00 0.00 C ATOM 774 CD LYS A 55 -2.877 -1.523 12.565 1.00 0.00 C ATOM 775 CE LYS A 55 -3.887 -2.627 12.882 1.00 0.00 C ATOM 776 NZ LYS A 55 -3.619 -3.208 14.217 1.00 0.00 N ATOM 0 H LYS A 55 -0.202 -1.743 8.806 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.700 -0.371 9.415 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.143 -0.925 10.897 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.373 0.153 11.526 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.642 -2.281 10.560 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.329 -2.707 11.640 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.243 -1.345 13.434 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.404 -0.591 12.359 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.899 -2.222 12.852 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.833 -3.407 12.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.314 -3.956 14.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.661 -3.612 14.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.694 -2.465 14.940 1.00 0.00 H new ATOM 790 N SER A 56 -2.122 2.027 9.293 1.00 0.00 N ATOM 791 CA SER A 56 -1.880 3.422 8.967 1.00 0.00 C ATOM 792 C SER A 56 -0.813 3.999 9.898 1.00 0.00 C ATOM 793 O SER A 56 -0.805 3.711 11.094 1.00 0.00 O ATOM 794 CB SER A 56 -3.168 4.241 9.062 1.00 0.00 C ATOM 795 OG SER A 56 -3.197 5.303 8.112 1.00 0.00 O ATOM 0 H SER A 56 -3.028 1.841 9.723 1.00 0.00 H new ATOM 0 HA SER A 56 -1.523 3.476 7.939 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.026 3.588 8.902 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.263 4.651 10.067 1.00 0.00 H new ATOM 0 HG SER A 56 -3.190 6.163 8.582 1.00 0.00 H new ATOM 801 N PRO A 57 0.086 4.826 9.300 1.00 0.00 N ATOM 802 CA PRO A 57 1.155 5.447 10.063 1.00 0.00 C ATOM 803 C PRO A 57 0.621 6.594 10.923 1.00 0.00 C ATOM 804 O PRO A 57 1.154 6.871 11.996 1.00 0.00 O ATOM 805 CB PRO A 57 2.166 5.905 9.024 1.00 0.00 C ATOM 806 CG PRO A 57 1.416 5.943 7.702 1.00 0.00 C ATOM 807 CD PRO A 57 0.108 5.191 7.886 1.00 0.00 C ATOM 0 HA PRO A 57 1.617 4.761 10.774 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.566 6.887 9.275 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.012 5.220 8.974 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.225 6.973 7.401 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.012 5.485 6.912 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.747 5.814 7.625 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.066 4.308 7.248 1.00 0.00 H new ATOM 815 N LYS A 58 -0.427 7.230 10.420 1.00 0.00 N ATOM 816 CA LYS A 58 -1.039 8.341 11.128 1.00 0.00 C ATOM 817 C LYS A 58 -2.508 8.456 10.715 1.00 0.00 C ATOM 818 O LYS A 58 -3.008 7.632 9.951 1.00 0.00 O ATOM 819 CB LYS A 58 -0.237 9.625 10.909 1.00 0.00 C ATOM 820 CG LYS A 58 1.171 9.499 11.496 1.00 0.00 C ATOM 821 CD LYS A 58 1.893 10.847 11.482 1.00 0.00 C ATOM 822 CE LYS A 58 2.114 11.365 12.905 1.00 0.00 C ATOM 823 NZ LYS A 58 1.124 12.414 13.234 1.00 0.00 N ATOM 0 H LYS A 58 -0.868 6.997 9.530 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.022 8.162 12.203 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.172 9.840 9.842 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.754 10.465 11.373 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.111 9.125 12.518 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.744 8.770 10.923 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.853 10.744 10.975 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.308 11.571 10.914 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.030 10.542 13.615 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.123 11.766 13.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.288 12.755 14.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.223 13.206 12.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.164 12.020 13.164 1.00 0.00 H new ATOM 837 N ASP A 59 -3.158 9.484 11.239 1.00 0.00 N ATOM 838 CA ASP A 59 -4.560 9.718 10.935 1.00 0.00 C ATOM 839 C ASP A 59 -4.669 10.787 9.846 1.00 0.00 C ATOM 840 O ASP A 59 -3.781 11.627 9.704 1.00 0.00 O ATOM 841 CB ASP A 59 -5.315 10.218 12.167 1.00 0.00 C ATOM 842 CG ASP A 59 -4.485 11.063 13.136 1.00 0.00 C ATOM 843 OD1 ASP A 59 -3.941 12.088 12.671 1.00 0.00 O ATOM 844 OD2 ASP A 59 -4.414 10.665 14.318 1.00 0.00 O ATOM 0 H ASP A 59 -2.740 10.165 11.873 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.996 8.775 10.605 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.170 10.807 11.836 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.710 9.357 12.706 1.00 0.00 H new ATOM 849 N GLY A 60 -5.766 10.722 9.105 1.00 0.00 N ATOM 850 CA GLY A 60 -6.003 11.675 8.034 1.00 0.00 C ATOM 851 C GLY A 60 -7.114 11.187 7.103 1.00 0.00 C ATOM 852 O GLY A 60 -7.578 10.054 7.224 1.00 0.00 O ATOM 0 H GLY A 60 -6.500 10.024 9.225 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.276 12.642 8.456 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.085 11.824 7.465 1.00 0.00 H new ATOM 856 N THR A 61 -7.509 12.066 6.193 1.00 0.00 N ATOM 857 CA THR A 61 -8.557 11.739 5.242 1.00 0.00 C ATOM 858 C THR A 61 -7.951 11.190 3.948 1.00 0.00 C ATOM 859 O THR A 61 -7.369 11.939 3.165 1.00 0.00 O ATOM 860 CB THR A 61 -9.411 12.990 5.029 1.00 0.00 C ATOM 861 OG1 THR A 61 -9.975 13.247 6.312 1.00 0.00 O ATOM 862 CG2 THR A 61 -10.624 12.727 4.135 1.00 0.00 C ATOM 0 H THR A 61 -7.122 13.004 6.095 1.00 0.00 H new ATOM 0 HA THR A 61 -9.203 10.948 5.623 1.00 0.00 H new ATOM 0 HB THR A 61 -8.799 13.776 4.587 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.268 14.181 6.359 1.00 0.00 H new ATOM 0 HG21 THR A 61 -11.195 13.648 4.017 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.288 12.381 3.158 1.00 0.00 H new ATOM 0 HG23 THR A 61 -11.255 11.965 4.593 1.00 0.00 H new ATOM 870 N VAL A 62 -8.108 9.887 3.765 1.00 0.00 N ATOM 871 CA VAL A 62 -7.583 9.230 2.580 1.00 0.00 C ATOM 872 C VAL A 62 -7.899 10.081 1.348 1.00 0.00 C ATOM 873 O VAL A 62 -9.064 10.318 1.035 1.00 0.00 O ATOM 874 CB VAL A 62 -8.138 7.807 2.482 1.00 0.00 C ATOM 875 CG1 VAL A 62 -7.799 7.179 1.129 1.00 0.00 C ATOM 876 CG2 VAL A 62 -7.627 6.939 3.634 1.00 0.00 C ATOM 0 H VAL A 62 -8.591 9.269 4.417 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.499 9.139 2.642 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.224 7.864 2.562 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.205 6.168 1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.234 7.780 0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.717 7.141 1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.036 5.933 3.541 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.539 6.893 3.600 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.942 7.372 4.583 1.00 0.00 H new ATOM 886 N LYS A 63 -6.840 10.516 0.682 1.00 0.00 N ATOM 887 CA LYS A 63 -6.989 11.335 -0.509 1.00 0.00 C ATOM 888 C LYS A 63 -7.419 10.450 -1.681 1.00 0.00 C ATOM 889 O LYS A 63 -8.411 10.737 -2.348 1.00 0.00 O ATOM 890 CB LYS A 63 -5.710 12.130 -0.776 1.00 0.00 C ATOM 891 CG LYS A 63 -5.912 13.128 -1.919 1.00 0.00 C ATOM 892 CD LYS A 63 -4.849 14.227 -1.883 1.00 0.00 C ATOM 893 CE LYS A 63 -4.920 15.100 -3.137 1.00 0.00 C ATOM 894 NZ LYS A 63 -4.666 16.517 -2.797 1.00 0.00 N ATOM 0 H LYS A 63 -5.875 10.317 0.944 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.774 12.077 -0.365 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.413 12.662 0.128 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.898 11.447 -1.025 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.867 12.605 -2.875 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.904 13.574 -1.846 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.990 14.845 -0.997 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.859 13.778 -1.804 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.187 14.758 -3.867 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.901 15.001 -3.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.718 17.096 -3.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.381 16.844 -2.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.720 16.609 -2.375 1.00 0.00 H new ATOM 908 N LYS A 64 -6.650 9.392 -1.895 1.00 0.00 N ATOM 909 CA LYS A 64 -6.939 8.464 -2.974 1.00 0.00 C ATOM 910 C LYS A 64 -6.045 7.230 -2.834 1.00 0.00 C ATOM 911 O LYS A 64 -4.904 7.334 -2.384 1.00 0.00 O ATOM 912 CB LYS A 64 -6.815 9.162 -4.330 1.00 0.00 C ATOM 913 CG LYS A 64 -7.477 8.337 -5.435 1.00 0.00 C ATOM 914 CD LYS A 64 -6.607 8.307 -6.693 1.00 0.00 C ATOM 915 CE LYS A 64 -7.296 9.027 -7.854 1.00 0.00 C ATOM 916 NZ LYS A 64 -6.343 9.923 -8.546 1.00 0.00 N ATOM 0 H LYS A 64 -5.827 9.157 -1.339 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.971 8.119 -2.912 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.279 10.147 -4.279 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.763 9.317 -4.568 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.647 7.320 -5.082 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.453 8.759 -5.674 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.646 8.779 -6.486 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.401 7.274 -6.972 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.694 8.296 -8.558 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.142 9.604 -7.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.826 10.404 -9.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.983 10.631 -7.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.549 9.364 -8.919 1.00 0.00 H new ATOM 930 N VAL A 65 -6.595 6.091 -3.227 1.00 0.00 N ATOM 931 CA VAL A 65 -5.861 4.840 -3.150 1.00 0.00 C ATOM 932 C VAL A 65 -5.337 4.475 -4.540 1.00 0.00 C ATOM 933 O VAL A 65 -6.060 4.585 -5.529 1.00 0.00 O ATOM 934 CB VAL A 65 -6.746 3.750 -2.540 1.00 0.00 C ATOM 935 CG1 VAL A 65 -5.899 2.612 -1.968 1.00 0.00 C ATOM 936 CG2 VAL A 65 -7.676 4.332 -1.473 1.00 0.00 C ATOM 0 H VAL A 65 -7.541 6.008 -3.600 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.997 4.944 -2.493 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.366 3.338 -3.336 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.552 1.851 -1.541 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.299 2.170 -2.763 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.241 3.003 -1.192 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.294 3.537 -1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.081 4.784 -0.679 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.316 5.091 -1.923 1.00 0.00 H new ATOM 946 N PHE A 66 -4.083 4.049 -4.571 1.00 0.00 N ATOM 947 CA PHE A 66 -3.453 3.667 -5.824 1.00 0.00 C ATOM 948 C PHE A 66 -3.304 2.148 -5.923 1.00 0.00 C ATOM 949 O PHE A 66 -2.429 1.651 -6.630 1.00 0.00 O ATOM 950 CB PHE A 66 -2.062 4.306 -5.838 1.00 0.00 C ATOM 951 CG PHE A 66 -2.071 5.821 -5.623 1.00 0.00 C ATOM 952 CD1 PHE A 66 -2.167 6.328 -4.365 1.00 0.00 C ATOM 953 CD2 PHE A 66 -1.983 6.659 -6.690 1.00 0.00 C ATOM 954 CE1 PHE A 66 -2.175 7.734 -4.166 1.00 0.00 C ATOM 955 CE2 PHE A 66 -1.991 8.065 -6.491 1.00 0.00 C ATOM 956 CZ PHE A 66 -2.086 8.573 -5.233 1.00 0.00 C ATOM 0 H PHE A 66 -3.486 3.960 -3.749 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.063 4.000 -6.664 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.453 3.843 -5.062 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.583 4.088 -6.792 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.237 5.662 -3.518 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.907 6.255 -7.689 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.252 8.137 -3.167 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.922 8.731 -7.339 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.091 9.642 -5.081 1.00 0.00 H new ATOM 966 N TYR A 67 -4.173 1.452 -5.204 1.00 0.00 N ATOM 967 CA TYR A 67 -4.150 0.000 -5.202 1.00 0.00 C ATOM 968 C TYR A 67 -5.509 -0.570 -4.790 1.00 0.00 C ATOM 969 O TYR A 67 -6.235 0.047 -4.012 1.00 0.00 O ATOM 970 CB TYR A 67 -3.104 -0.404 -4.160 1.00 0.00 C ATOM 971 CG TYR A 67 -1.669 -0.408 -4.689 1.00 0.00 C ATOM 972 CD1 TYR A 67 -0.949 0.769 -4.740 1.00 0.00 C ATOM 973 CD2 TYR A 67 -1.093 -1.588 -5.114 1.00 0.00 C ATOM 974 CE1 TYR A 67 0.402 0.765 -5.238 1.00 0.00 C ATOM 975 CE2 TYR A 67 0.258 -1.591 -5.611 1.00 0.00 C ATOM 976 CZ TYR A 67 0.939 -0.415 -5.649 1.00 0.00 C ATOM 977 OH TYR A 67 2.216 -0.418 -6.119 1.00 0.00 O ATOM 0 H TYR A 67 -4.898 1.868 -4.619 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.919 -0.381 -6.197 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.166 0.280 -3.313 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.345 -1.399 -3.785 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.399 1.692 -4.406 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.656 -2.509 -5.074 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.976 1.679 -5.284 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.721 -2.508 -5.946 1.00 0.00 H new ATOM 0 HH TYR A 67 2.728 0.293 -5.680 1.00 0.00 H new ATOM 987 N ARG A 68 -5.812 -1.741 -5.330 1.00 0.00 N ATOM 988 CA ARG A 68 -7.071 -2.401 -5.028 1.00 0.00 C ATOM 989 C ARG A 68 -6.857 -3.909 -4.878 1.00 0.00 C ATOM 990 O ARG A 68 -5.726 -4.388 -4.940 1.00 0.00 O ATOM 991 CB ARG A 68 -8.103 -2.147 -6.128 1.00 0.00 C ATOM 992 CG ARG A 68 -8.582 -0.694 -6.105 1.00 0.00 C ATOM 993 CD ARG A 68 -10.045 -0.592 -6.541 1.00 0.00 C ATOM 994 NE ARG A 68 -10.801 0.248 -5.586 1.00 0.00 N ATOM 995 CZ ARG A 68 -11.155 -0.147 -4.355 1.00 0.00 C ATOM 996 NH1 ARG A 68 -10.824 -1.371 -3.923 1.00 0.00 N ATOM 997 NH2 ARG A 68 -11.840 0.683 -3.556 1.00 0.00 N ATOM 0 H ARG A 68 -5.208 -2.250 -5.975 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.446 -1.988 -4.091 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.667 -2.375 -7.101 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.953 -2.816 -5.996 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.469 -0.286 -5.101 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.959 -0.091 -6.766 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -10.106 -0.164 -7.542 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -10.488 -1.587 -6.593 1.00 0.00 H new ATOM 0 HE ARG A 68 -11.070 1.186 -5.883 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -10.302 -2.003 -4.531 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.093 -1.671 -2.986 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.092 1.615 -3.885 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.109 0.382 -2.619 1.00 0.00 H new ATOM 1011 N GLU A 69 -7.962 -4.614 -4.682 1.00 0.00 N ATOM 1012 CA GLU A 69 -7.910 -6.057 -4.522 1.00 0.00 C ATOM 1013 C GLU A 69 -7.258 -6.704 -5.746 1.00 0.00 C ATOM 1014 O GLU A 69 -7.644 -6.424 -6.880 1.00 0.00 O ATOM 1015 CB GLU A 69 -9.306 -6.632 -4.276 1.00 0.00 C ATOM 1016 CG GLU A 69 -9.986 -5.935 -3.096 1.00 0.00 C ATOM 1017 CD GLU A 69 -11.495 -5.819 -3.324 1.00 0.00 C ATOM 1018 OE1 GLU A 69 -12.035 -6.711 -4.014 1.00 0.00 O ATOM 1019 OE2 GLU A 69 -12.074 -4.841 -2.803 1.00 0.00 O ATOM 0 H GLU A 69 -8.898 -4.212 -4.630 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.300 -6.284 -3.648 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.915 -6.514 -5.172 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.233 -7.701 -4.078 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.795 -6.493 -2.180 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.558 -4.942 -2.959 1.00 0.00 H new ATOM 1026 N GLY A 70 -6.281 -7.556 -5.476 1.00 0.00 N ATOM 1027 CA GLY A 70 -5.572 -8.245 -6.541 1.00 0.00 C ATOM 1028 C GLY A 70 -4.572 -7.311 -7.227 1.00 0.00 C ATOM 1029 O GLY A 70 -4.322 -7.436 -8.425 1.00 0.00 O ATOM 0 H GLY A 70 -5.963 -7.785 -4.534 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.048 -9.109 -6.134 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.286 -8.621 -7.274 1.00 0.00 H new ATOM 1033 N ALA A 71 -4.028 -6.397 -6.438 1.00 0.00 N ATOM 1034 CA ALA A 71 -3.061 -5.443 -6.954 1.00 0.00 C ATOM 1035 C ALA A 71 -1.650 -5.901 -6.581 1.00 0.00 C ATOM 1036 O ALA A 71 -1.460 -6.584 -5.576 1.00 0.00 O ATOM 1037 CB ALA A 71 -3.383 -4.047 -6.416 1.00 0.00 C ATOM 0 H ALA A 71 -4.238 -6.297 -5.445 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.114 -5.393 -8.042 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.657 -3.332 -6.803 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.384 -3.757 -6.734 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.337 -4.057 -5.327 1.00 0.00 H new ATOM 1043 N GLN A 72 -0.695 -5.505 -7.410 1.00 0.00 N ATOM 1044 CA GLN A 72 0.694 -5.866 -7.180 1.00 0.00 C ATOM 1045 C GLN A 72 1.503 -4.633 -6.775 1.00 0.00 C ATOM 1046 O GLN A 72 1.650 -3.697 -7.560 1.00 0.00 O ATOM 1047 CB GLN A 72 1.298 -6.537 -8.415 1.00 0.00 C ATOM 1048 CG GLN A 72 2.826 -6.535 -8.348 1.00 0.00 C ATOM 1049 CD GLN A 72 3.407 -7.784 -9.014 1.00 0.00 C ATOM 1050 OE1 GLN A 72 3.320 -7.975 -10.216 1.00 0.00 O ATOM 1051 NE2 GLN A 72 4.001 -8.621 -8.169 1.00 0.00 N ATOM 0 H GLN A 72 -0.856 -4.938 -8.242 1.00 0.00 H new ATOM 0 HA GLN A 72 0.731 -6.585 -6.362 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.935 -7.562 -8.490 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.969 -6.016 -9.314 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.214 -5.643 -8.840 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.148 -6.491 -7.307 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.038 -8.400 -7.174 1.00 0.00 H new ATOM 0 HE22 GLN A 72 4.419 -9.484 -8.516 1.00 0.00 H new ATOM 1060 N ALA A 73 2.007 -4.671 -5.550 1.00 0.00 N ATOM 1061 CA ALA A 73 2.797 -3.567 -5.032 1.00 0.00 C ATOM 1062 C ALA A 73 4.267 -3.986 -4.965 1.00 0.00 C ATOM 1063 O ALA A 73 4.582 -5.173 -5.038 1.00 0.00 O ATOM 1064 CB ALA A 73 2.249 -3.143 -3.667 1.00 0.00 C ATOM 0 H ALA A 73 1.884 -5.449 -4.902 1.00 0.00 H new ATOM 0 HA ALA A 73 2.730 -2.703 -5.693 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.842 -2.315 -3.278 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.211 -2.828 -3.774 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.304 -3.984 -2.976 1.00 0.00 H new ATOM 1070 N ASN A 74 5.128 -2.988 -4.826 1.00 0.00 N ATOM 1071 CA ASN A 74 6.557 -3.238 -4.749 1.00 0.00 C ATOM 1072 C ASN A 74 7.079 -2.770 -3.389 1.00 0.00 C ATOM 1073 O ASN A 74 6.375 -2.080 -2.654 1.00 0.00 O ATOM 1074 CB ASN A 74 7.311 -2.468 -5.835 1.00 0.00 C ATOM 1075 CG ASN A 74 8.331 -3.366 -6.536 1.00 0.00 C ATOM 1076 OD1 ASN A 74 7.995 -4.232 -7.328 1.00 0.00 O ATOM 1077 ND2 ASN A 74 9.594 -3.114 -6.202 1.00 0.00 N ATOM 0 H ASN A 74 4.863 -2.005 -4.765 1.00 0.00 H new ATOM 0 HA ASN A 74 6.720 -4.307 -4.886 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.603 -2.076 -6.566 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.819 -1.611 -5.392 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.350 -3.660 -6.616 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.807 -2.375 -5.532 1.00 0.00 H new ATOM 1084 N ARG A 75 8.310 -3.165 -3.096 1.00 0.00 N ATOM 1085 CA ARG A 75 8.934 -2.794 -1.837 1.00 0.00 C ATOM 1086 C ARG A 75 9.134 -1.279 -1.770 1.00 0.00 C ATOM 1087 O ARG A 75 9.857 -0.707 -2.584 1.00 0.00 O ATOM 1088 CB ARG A 75 10.287 -3.488 -1.669 1.00 0.00 C ATOM 1089 CG ARG A 75 10.793 -3.361 -0.230 1.00 0.00 C ATOM 1090 CD ARG A 75 11.279 -4.712 0.301 1.00 0.00 C ATOM 1091 NE ARG A 75 12.658 -4.584 0.822 1.00 0.00 N ATOM 1092 CZ ARG A 75 13.738 -4.398 0.052 1.00 0.00 C ATOM 1093 NH1 ARG A 75 13.605 -4.316 -1.279 1.00 0.00 N ATOM 1094 NH2 ARG A 75 14.951 -4.293 0.612 1.00 0.00 N ATOM 0 H ARG A 75 8.891 -3.738 -3.708 1.00 0.00 H new ATOM 0 HA ARG A 75 8.272 -3.112 -1.032 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.195 -4.541 -1.934 1.00 0.00 H new ATOM 0 HB3 ARG A 75 11.013 -3.049 -2.354 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.606 -2.636 -0.189 1.00 0.00 H new ATOM 0 HG3 ARG A 75 9.995 -2.981 0.408 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.614 -5.062 1.091 1.00 0.00 H new ATOM 0 HD3 ARG A 75 11.249 -5.457 -0.494 1.00 0.00 H new ATOM 0 HE ARG A 75 12.795 -4.641 1.831 1.00 0.00 H new ATOM 0 HH11 ARG A 75 12.682 -4.395 -1.705 1.00 0.00 H new ATOM 0 HH12 ARG A 75 14.427 -4.174 -1.866 1.00 0.00 H new ATOM 0 HH21 ARG A 75 15.052 -4.355 1.625 1.00 0.00 H new ATOM 0 HH22 ARG A 75 15.773 -4.151 0.025 1.00 0.00 H new ATOM 1108 N HIS A 76 8.480 -0.671 -0.791 1.00 0.00 N ATOM 1109 CA HIS A 76 8.577 0.767 -0.606 1.00 0.00 C ATOM 1110 C HIS A 76 7.816 1.481 -1.725 1.00 0.00 C ATOM 1111 O HIS A 76 8.413 2.193 -2.531 1.00 0.00 O ATOM 1112 CB HIS A 76 10.040 1.206 -0.511 1.00 0.00 C ATOM 1113 CG HIS A 76 10.842 0.450 0.522 1.00 0.00 C ATOM 1114 ND1 HIS A 76 12.175 0.718 0.779 1.00 0.00 N ATOM 1115 CD2 HIS A 76 10.484 -0.565 1.360 1.00 0.00 C ATOM 1116 CE1 HIS A 76 12.591 -0.106 1.730 1.00 0.00 C ATOM 1117 NE2 HIS A 76 11.542 -0.900 2.088 1.00 0.00 N ATOM 0 H HIS A 76 7.881 -1.148 -0.117 1.00 0.00 H new ATOM 0 HA HIS A 76 8.112 1.047 0.339 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.511 1.079 -1.486 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.075 2.270 -0.276 1.00 0.00 H new ATOM 0 HD2 HIS A 76 9.506 -1.019 1.421 1.00 0.00 H new ATOM 0 HE1 HIS A 76 13.586 -0.142 2.148 1.00 0.00 H new ATOM 0 HE2 HIS A 76 11.566 -1.631 2.799 1.00 0.00 H new ATOM 1125 N THR A 77 6.509 1.264 -1.740 1.00 0.00 N ATOM 1126 CA THR A 77 5.660 1.878 -2.747 1.00 0.00 C ATOM 1127 C THR A 77 4.453 2.549 -2.089 1.00 0.00 C ATOM 1128 O THR A 77 4.031 2.152 -1.004 1.00 0.00 O ATOM 1129 CB THR A 77 5.277 0.800 -3.763 1.00 0.00 C ATOM 1130 OG1 THR A 77 4.814 -0.284 -2.961 1.00 0.00 O ATOM 1131 CG2 THR A 77 6.492 0.228 -4.496 1.00 0.00 C ATOM 0 H THR A 77 6.017 0.672 -1.071 1.00 0.00 H new ATOM 0 HA THR A 77 6.185 2.673 -3.277 1.00 0.00 H new ATOM 0 HB THR A 77 4.578 1.217 -4.488 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.504 -0.979 -2.920 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.164 -0.532 -5.205 1.00 0.00 H new ATOM 0 HG22 THR A 77 7.003 1.028 -5.032 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.175 -0.219 -3.774 1.00 0.00 H new ATOM 1139 N PRO A 78 3.917 3.583 -2.792 1.00 0.00 N ATOM 1140 CA PRO A 78 2.767 4.314 -2.288 1.00 0.00 C ATOM 1141 C PRO A 78 1.484 3.495 -2.448 1.00 0.00 C ATOM 1142 O PRO A 78 1.141 3.083 -3.554 1.00 0.00 O ATOM 1143 CB PRO A 78 2.746 5.611 -3.081 1.00 0.00 C ATOM 1144 CG PRO A 78 3.600 5.359 -4.313 1.00 0.00 C ATOM 1145 CD PRO A 78 4.390 4.082 -4.080 1.00 0.00 C ATOM 0 HA PRO A 78 2.834 4.517 -1.219 1.00 0.00 H new ATOM 0 HB2 PRO A 78 1.728 5.882 -3.360 1.00 0.00 H new ATOM 0 HB3 PRO A 78 3.145 6.436 -2.491 1.00 0.00 H new ATOM 0 HG2 PRO A 78 2.973 5.263 -5.199 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.274 6.198 -4.488 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.214 3.357 -4.874 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.462 4.278 -4.059 1.00 0.00 H new ATOM 1153 N LEU A 79 0.811 3.285 -1.326 1.00 0.00 N ATOM 1154 CA LEU A 79 -0.426 2.524 -1.327 1.00 0.00 C ATOM 1155 C LEU A 79 -1.614 3.487 -1.274 1.00 0.00 C ATOM 1156 O LEU A 79 -2.558 3.358 -2.052 1.00 0.00 O ATOM 1157 CB LEU A 79 -0.421 1.491 -0.198 1.00 0.00 C ATOM 1158 CG LEU A 79 0.707 0.458 -0.239 1.00 0.00 C ATOM 1159 CD1 LEU A 79 0.834 -0.268 1.102 1.00 0.00 C ATOM 1160 CD2 LEU A 79 0.516 -0.516 -1.403 1.00 0.00 C ATOM 0 H LEU A 79 1.099 3.629 -0.410 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.520 1.953 -2.251 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.367 2.021 0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.373 0.961 -0.213 1.00 0.00 H new ATOM 0 HG LEU A 79 1.646 0.984 -0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.643 -0.997 1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.051 0.455 1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.101 -0.780 1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.331 -1.240 -1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.433 -1.039 -1.287 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.514 0.036 -2.343 1.00 0.00 H new ATOM 1172 N VAL A 80 -1.528 4.431 -0.348 1.00 0.00 N ATOM 1173 CA VAL A 80 -2.583 5.416 -0.183 1.00 0.00 C ATOM 1174 C VAL A 80 -1.958 6.789 0.071 1.00 0.00 C ATOM 1175 O VAL A 80 -0.849 6.883 0.595 1.00 0.00 O ATOM 1176 CB VAL A 80 -3.538 4.978 0.930 1.00 0.00 C ATOM 1177 CG1 VAL A 80 -4.610 4.030 0.391 1.00 0.00 C ATOM 1178 CG2 VAL A 80 -2.771 4.338 2.089 1.00 0.00 C ATOM 0 H VAL A 80 -0.744 4.534 0.296 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.179 5.494 -1.092 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.040 5.867 1.311 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.275 3.734 1.202 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.186 4.535 -0.384 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.134 3.144 -0.029 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.472 4.036 2.867 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.230 3.463 1.728 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.063 5.059 2.499 1.00 0.00 H new ATOM 1188 N GLU A 81 -2.697 7.820 -0.313 1.00 0.00 N ATOM 1189 CA GLU A 81 -2.229 9.184 -0.133 1.00 0.00 C ATOM 1190 C GLU A 81 -3.171 9.950 0.797 1.00 0.00 C ATOM 1191 O GLU A 81 -4.387 9.924 0.614 1.00 0.00 O ATOM 1192 CB GLU A 81 -2.088 9.897 -1.480 1.00 0.00 C ATOM 1193 CG GLU A 81 -1.854 11.396 -1.284 1.00 0.00 C ATOM 1194 CD GLU A 81 -0.660 11.877 -2.111 1.00 0.00 C ATOM 1195 OE1 GLU A 81 0.344 11.132 -2.145 1.00 0.00 O ATOM 1196 OE2 GLU A 81 -0.777 12.978 -2.691 1.00 0.00 O ATOM 0 H GLU A 81 -3.616 7.738 -0.748 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.242 9.151 0.329 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.258 9.466 -2.039 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.988 9.740 -2.075 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.748 11.948 -1.574 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.678 11.605 -0.229 1.00 0.00 H new ATOM 1203 N PHE A 82 -2.574 10.614 1.776 1.00 0.00 N ATOM 1204 CA PHE A 82 -3.344 11.386 2.736 1.00 0.00 C ATOM 1205 C PHE A 82 -3.642 12.787 2.199 1.00 0.00 C ATOM 1206 O PHE A 82 -2.893 13.314 1.378 1.00 0.00 O ATOM 1207 CB PHE A 82 -2.491 11.508 4.000 1.00 0.00 C ATOM 1208 CG PHE A 82 -2.462 10.239 4.855 1.00 0.00 C ATOM 1209 CD1 PHE A 82 -3.614 9.752 5.389 1.00 0.00 C ATOM 1210 CD2 PHE A 82 -1.284 9.599 5.082 1.00 0.00 C ATOM 1211 CE1 PHE A 82 -3.587 8.575 6.183 1.00 0.00 C ATOM 1212 CE2 PHE A 82 -1.256 8.422 5.876 1.00 0.00 C ATOM 1213 CZ PHE A 82 -2.409 7.935 6.410 1.00 0.00 C ATOM 0 H PHE A 82 -1.565 10.633 1.925 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.295 10.892 2.934 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.471 11.765 3.714 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.870 12.332 4.604 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.550 10.261 5.209 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.369 9.986 4.658 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.502 8.188 6.607 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.320 7.914 6.056 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.388 7.040 7.014 1.00 0.00 H new ATOM 1223 N GLU A 83 -4.738 13.352 2.685 1.00 0.00 N ATOM 1224 CA GLU A 83 -5.145 14.682 2.264 1.00 0.00 C ATOM 1225 C GLU A 83 -4.210 15.736 2.861 1.00 0.00 C ATOM 1226 O GLU A 83 -3.603 15.511 3.907 1.00 0.00 O ATOM 1227 CB GLU A 83 -6.600 14.958 2.649 1.00 0.00 C ATOM 1228 CG GLU A 83 -7.563 14.294 1.663 1.00 0.00 C ATOM 1229 CD GLU A 83 -8.008 15.282 0.582 1.00 0.00 C ATOM 1230 OE1 GLU A 83 -8.952 16.049 0.869 1.00 0.00 O ATOM 1231 OE2 GLU A 83 -7.394 15.247 -0.506 1.00 0.00 O ATOM 0 H GLU A 83 -5.357 12.913 3.367 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.075 14.736 1.178 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.791 14.586 3.656 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.777 16.033 2.668 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.079 13.435 1.199 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.435 13.918 2.198 1.00 0.00 H new