USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 539 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.256 X(o=0.26,f=-0.11) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.792 USER MOD Single : A 37 GLN : amide:sc= -0.108 K(o=-0.11,f=-1.1) USER MOD Single : A 38 GLN : amide:sc= 0.264 K(o=0.26,f=-0.4) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot -41:sc= -2.27! USER MOD Single : A 63 GLN : amide:sc= -1.11 K(o=-1.1,f=-4.6!) USER MOD Single : A 65 MET CE :methyl 159:sc= -2.55! (180deg=-3.36!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 71 GLN :FLIP amide:sc= -1.55 F(o=-7.1!,f=-1.6) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot -19:sc= -8.78! USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.412 X(o=-0.41,f=-0.28) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 167 N GLY A 15 -3.676 8.006 -5.729 1.00 0.00 N ATOM 168 CA GLY A 15 -3.636 8.182 -4.289 1.00 0.00 C ATOM 169 C GLY A 15 -3.809 6.875 -3.541 1.00 0.00 C ATOM 170 O GLY A 15 -4.581 6.795 -2.585 1.00 0.00 O ATOM 0 HA2 GLY A 15 -2.685 8.635 -4.008 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.421 8.876 -3.989 1.00 0.00 H new ATOM 174 N LYS A 16 -3.089 5.846 -3.976 1.00 0.00 N ATOM 175 CA LYS A 16 -3.166 4.535 -3.342 1.00 0.00 C ATOM 176 C LYS A 16 -1.792 4.085 -2.855 1.00 0.00 C ATOM 177 O LYS A 16 -0.864 3.920 -3.648 1.00 0.00 O ATOM 178 CB LYS A 16 -3.735 3.505 -4.320 1.00 0.00 C ATOM 179 CG LYS A 16 -4.750 4.084 -5.291 1.00 0.00 C ATOM 180 CD LYS A 16 -4.756 3.327 -6.608 1.00 0.00 C ATOM 181 CE LYS A 16 -5.432 4.131 -7.709 1.00 0.00 C ATOM 182 NZ LYS A 16 -4.464 4.999 -8.435 1.00 0.00 N ATOM 0 H LYS A 16 -2.445 5.895 -4.766 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.830 4.614 -2.481 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.915 3.062 -4.886 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.204 2.700 -3.755 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.744 4.047 -4.845 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.521 5.134 -5.475 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.732 3.096 -6.901 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.273 2.376 -6.480 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.910 3.451 -8.414 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.220 4.748 -7.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.963 5.530 -9.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.026 5.665 -7.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.726 4.409 -8.869 1.00 0.00 H new ATOM 196 N THR A 17 -1.669 3.886 -1.547 1.00 0.00 N ATOM 197 CA THR A 17 -0.409 3.454 -0.955 1.00 0.00 C ATOM 198 C THR A 17 -0.642 2.426 0.146 1.00 0.00 C ATOM 199 O THR A 17 -1.756 2.285 0.652 1.00 0.00 O ATOM 200 CB THR A 17 0.375 4.645 -0.371 1.00 0.00 C ATOM 201 OG1 THR A 17 0.799 5.516 -1.426 1.00 0.00 O ATOM 202 CG2 THR A 17 1.586 4.163 0.414 1.00 0.00 C ATOM 0 H THR A 17 -2.427 4.017 -0.877 1.00 0.00 H new ATOM 0 HA THR A 17 0.176 3.000 -1.755 1.00 0.00 H new ATOM 0 HB THR A 17 -0.284 5.189 0.306 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.295 6.271 -1.047 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.124 5.021 0.817 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.258 3.524 1.233 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.245 3.598 -0.245 1.00 0.00 H new ATOM 210 N VAL A 18 0.415 1.708 0.513 1.00 0.00 N ATOM 211 CA VAL A 18 0.325 0.693 1.556 1.00 0.00 C ATOM 212 C VAL A 18 1.690 0.423 2.179 1.00 0.00 C ATOM 213 O VAL A 18 2.619 -0.014 1.499 1.00 0.00 O ATOM 214 CB VAL A 18 -0.247 -0.627 1.006 1.00 0.00 C ATOM 215 CG1 VAL A 18 -1.537 -0.373 0.242 1.00 0.00 C ATOM 216 CG2 VAL A 18 0.778 -1.324 0.124 1.00 0.00 C ATOM 0 H VAL A 18 1.344 1.811 0.103 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.349 1.082 2.320 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.475 -1.283 1.846 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.926 -1.317 -0.139 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.271 0.080 0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.339 0.301 -0.592 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.358 -2.255 -0.256 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.039 -0.676 -0.712 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.672 -1.542 0.708 1.00 0.00 H new ATOM 226 N PHE A 19 1.805 0.685 3.477 1.00 0.00 N ATOM 227 CA PHE A 19 3.057 0.471 4.192 1.00 0.00 C ATOM 228 C PHE A 19 2.919 -0.666 5.201 1.00 0.00 C ATOM 229 O PHE A 19 2.044 -0.640 6.066 1.00 0.00 O ATOM 230 CB PHE A 19 3.486 1.753 4.908 1.00 0.00 C ATOM 231 CG PHE A 19 4.854 1.668 5.522 1.00 0.00 C ATOM 232 CD1 PHE A 19 5.911 1.117 4.816 1.00 0.00 C ATOM 233 CD2 PHE A 19 5.083 2.139 6.805 1.00 0.00 C ATOM 234 CE1 PHE A 19 7.172 1.037 5.378 1.00 0.00 C ATOM 235 CE2 PHE A 19 6.341 2.063 7.371 1.00 0.00 C ATOM 236 CZ PHE A 19 7.387 1.510 6.658 1.00 0.00 C ATOM 0 H PHE A 19 1.046 1.046 4.055 1.00 0.00 H new ATOM 0 HA PHE A 19 3.820 0.197 3.464 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.466 2.580 4.198 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.760 1.984 5.688 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.748 0.746 3.815 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.269 2.570 7.369 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.988 0.605 4.817 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.507 2.436 8.371 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.370 1.448 7.100 1.00 0.00 H new ATOM 246 N ILE A 20 3.790 -1.663 5.082 1.00 0.00 N ATOM 247 CA ILE A 20 3.766 -2.809 5.982 1.00 0.00 C ATOM 248 C ILE A 20 4.757 -2.629 7.127 1.00 0.00 C ATOM 249 O ILE A 20 5.902 -2.230 6.913 1.00 0.00 O ATOM 250 CB ILE A 20 4.090 -4.117 5.238 1.00 0.00 C ATOM 251 CG1 ILE A 20 3.323 -4.181 3.915 1.00 0.00 C ATOM 252 CG2 ILE A 20 3.756 -5.319 6.108 1.00 0.00 C ATOM 253 CD1 ILE A 20 4.073 -3.568 2.752 1.00 0.00 C ATOM 0 H ILE A 20 4.521 -1.700 4.371 1.00 0.00 H new ATOM 0 HA ILE A 20 2.755 -2.872 6.385 1.00 0.00 H new ATOM 0 HB ILE A 20 5.158 -4.137 5.019 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.099 -5.222 3.684 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.368 -3.668 4.032 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.991 -6.236 5.567 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.343 -5.278 7.026 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.695 -5.305 6.355 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.470 -3.649 1.847 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.274 -2.517 2.962 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.016 -4.096 2.608 1.00 0.00 H new ATOM 265 N ARG A 21 4.311 -2.928 8.342 1.00 0.00 N ATOM 266 CA ARG A 21 5.159 -2.800 9.521 1.00 0.00 C ATOM 267 C ARG A 21 5.321 -4.146 10.222 1.00 0.00 C ATOM 268 O ARG A 21 4.427 -4.989 10.183 1.00 0.00 O ATOM 269 CB ARG A 21 4.569 -1.775 10.491 1.00 0.00 C ATOM 270 CG ARG A 21 4.806 -0.334 10.073 1.00 0.00 C ATOM 271 CD ARG A 21 3.670 0.189 9.208 1.00 0.00 C ATOM 272 NE ARG A 21 2.600 0.780 10.008 1.00 0.00 N ATOM 273 CZ ARG A 21 2.729 1.917 10.683 1.00 0.00 C ATOM 274 NH1 ARG A 21 3.875 2.582 10.654 1.00 0.00 N ATOM 275 NH2 ARG A 21 1.710 2.390 11.388 1.00 0.00 N ATOM 0 H ARG A 21 3.367 -3.261 8.536 1.00 0.00 H new ATOM 0 HA ARG A 21 6.142 -2.458 9.196 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.496 -1.947 10.580 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.000 -1.933 11.480 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.907 0.291 10.960 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.745 -0.263 9.524 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.057 0.934 8.513 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.266 -0.627 8.608 1.00 0.00 H new ATOM 0 HE ARG A 21 1.705 0.293 10.051 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.660 2.221 10.113 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.971 3.455 11.173 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.827 1.881 11.412 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.810 3.263 11.906 1.00 0.00 H new ATOM 289 N ASN A 22 6.470 -4.338 10.863 1.00 0.00 N ATOM 290 CA ASN A 22 6.751 -5.581 11.572 1.00 0.00 C ATOM 291 C ASN A 22 7.020 -6.718 10.591 1.00 0.00 C ATOM 292 O ASN A 22 6.507 -7.826 10.751 1.00 0.00 O ATOM 293 CB ASN A 22 5.579 -5.948 12.485 1.00 0.00 C ATOM 294 CG ASN A 22 5.962 -6.972 13.535 1.00 0.00 C ATOM 295 OD1 ASN A 22 6.873 -6.749 14.333 1.00 0.00 O ATOM 296 ND2 ASN A 22 5.267 -8.104 13.539 1.00 0.00 N ATOM 0 H ASN A 22 7.221 -3.649 10.906 1.00 0.00 H new ATOM 0 HA ASN A 22 7.643 -5.430 12.180 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.210 -5.048 12.977 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.761 -6.340 11.881 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.480 -8.831 14.222 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.520 -8.246 12.859 1.00 0.00 H new ATOM 303 N LEU A 23 7.829 -6.437 9.576 1.00 0.00 N ATOM 304 CA LEU A 23 8.168 -7.436 8.568 1.00 0.00 C ATOM 305 C LEU A 23 9.268 -8.365 9.071 1.00 0.00 C ATOM 306 O LEU A 23 10.112 -7.967 9.875 1.00 0.00 O ATOM 307 CB LEU A 23 8.615 -6.752 7.274 1.00 0.00 C ATOM 308 CG LEU A 23 7.498 -6.319 6.324 1.00 0.00 C ATOM 309 CD1 LEU A 23 8.051 -5.433 5.219 1.00 0.00 C ATOM 310 CD2 LEU A 23 6.797 -7.534 5.735 1.00 0.00 C ATOM 0 H LEU A 23 8.263 -5.526 9.429 1.00 0.00 H new ATOM 0 HA LEU A 23 7.277 -8.032 8.368 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.203 -5.873 7.536 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.278 -7.431 6.738 1.00 0.00 H new ATOM 0 HG LEU A 23 6.767 -5.743 6.892 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.242 -5.135 4.553 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.506 -4.545 5.658 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.803 -5.983 4.653 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.005 -7.206 5.061 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.517 -8.137 5.182 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.366 -8.130 6.539 1.00 0.00 H new ATOM 322 N SER A 24 9.255 -9.604 8.591 1.00 0.00 N ATOM 323 CA SER A 24 10.250 -10.591 8.993 1.00 0.00 C ATOM 324 C SER A 24 11.360 -10.698 7.952 1.00 0.00 C ATOM 325 O SER A 24 11.099 -10.726 6.750 1.00 0.00 O ATOM 326 CB SER A 24 9.592 -11.957 9.196 1.00 0.00 C ATOM 327 OG SER A 24 10.282 -12.716 10.174 1.00 0.00 O ATOM 0 H SER A 24 8.566 -9.949 7.923 1.00 0.00 H new ATOM 0 HA SER A 24 10.690 -10.264 9.935 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.554 -11.822 9.501 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.578 -12.501 8.252 1.00 0.00 H new ATOM 0 HG SER A 24 9.841 -13.584 10.286 1.00 0.00 H new ATOM 333 N PHE A 25 12.601 -10.758 8.424 1.00 0.00 N ATOM 334 CA PHE A 25 13.753 -10.861 7.536 1.00 0.00 C ATOM 335 C PHE A 25 13.569 -11.999 6.536 1.00 0.00 C ATOM 336 O PHE A 25 13.931 -11.877 5.366 1.00 0.00 O ATOM 337 CB PHE A 25 15.031 -11.081 8.347 1.00 0.00 C ATOM 338 CG PHE A 25 15.350 -9.950 9.282 1.00 0.00 C ATOM 339 CD1 PHE A 25 16.086 -8.860 8.847 1.00 0.00 C ATOM 340 CD2 PHE A 25 14.912 -9.976 10.597 1.00 0.00 C ATOM 341 CE1 PHE A 25 16.381 -7.818 9.707 1.00 0.00 C ATOM 342 CE2 PHE A 25 15.203 -8.937 11.460 1.00 0.00 C ATOM 343 CZ PHE A 25 15.938 -7.856 11.014 1.00 0.00 C ATOM 0 H PHE A 25 12.835 -10.737 9.417 1.00 0.00 H new ATOM 0 HA PHE A 25 13.839 -9.926 6.983 1.00 0.00 H new ATOM 0 HB2 PHE A 25 14.932 -12.001 8.923 1.00 0.00 H new ATOM 0 HB3 PHE A 25 15.867 -11.222 7.662 1.00 0.00 H new ATOM 0 HD1 PHE A 25 16.433 -8.824 7.825 1.00 0.00 H new ATOM 0 HD2 PHE A 25 14.336 -10.818 10.951 1.00 0.00 H new ATOM 0 HE1 PHE A 25 16.958 -6.975 9.356 1.00 0.00 H new ATOM 0 HE2 PHE A 25 14.856 -8.970 12.482 1.00 0.00 H new ATOM 0 HZ PHE A 25 16.166 -7.042 11.686 1.00 0.00 H new ATOM 353 N ASP A 26 13.003 -13.106 7.007 1.00 0.00 N ATOM 354 CA ASP A 26 12.770 -14.267 6.156 1.00 0.00 C ATOM 355 C ASP A 26 11.920 -13.891 4.946 1.00 0.00 C ATOM 356 O ASP A 26 12.001 -14.530 3.897 1.00 0.00 O ATOM 357 CB ASP A 26 12.085 -15.379 6.951 1.00 0.00 C ATOM 358 CG ASP A 26 13.060 -16.168 7.802 1.00 0.00 C ATOM 359 OD1 ASP A 26 14.095 -15.596 8.205 1.00 0.00 O ATOM 360 OD2 ASP A 26 12.789 -17.358 8.065 1.00 0.00 O ATOM 0 H ASP A 26 12.697 -13.223 7.973 1.00 0.00 H new ATOM 0 HA ASP A 26 13.736 -14.627 5.801 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.318 -14.944 7.592 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.579 -16.055 6.262 1.00 0.00 H new ATOM 365 N SER A 27 11.105 -12.853 5.101 1.00 0.00 N ATOM 366 CA SER A 27 10.236 -12.395 4.023 1.00 0.00 C ATOM 367 C SER A 27 11.057 -11.932 2.823 1.00 0.00 C ATOM 368 O SER A 27 12.275 -11.777 2.914 1.00 0.00 O ATOM 369 CB SER A 27 9.339 -11.257 4.511 1.00 0.00 C ATOM 370 OG SER A 27 8.536 -10.753 3.457 1.00 0.00 O ATOM 0 H SER A 27 11.028 -12.313 5.963 1.00 0.00 H new ATOM 0 HA SER A 27 9.611 -13.233 3.713 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.701 -11.614 5.320 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.954 -10.455 4.920 1.00 0.00 H new ATOM 0 HG SER A 27 7.970 -10.028 3.795 1.00 0.00 H new ATOM 376 N GLU A 28 10.381 -11.714 1.700 1.00 0.00 N ATOM 377 CA GLU A 28 11.047 -11.270 0.481 1.00 0.00 C ATOM 378 C GLU A 28 10.135 -10.362 -0.338 1.00 0.00 C ATOM 379 O GLU A 28 8.955 -10.658 -0.526 1.00 0.00 O ATOM 380 CB GLU A 28 11.476 -12.474 -0.360 1.00 0.00 C ATOM 381 CG GLU A 28 12.451 -13.397 0.351 1.00 0.00 C ATOM 382 CD GLU A 28 13.168 -14.334 -0.602 1.00 0.00 C ATOM 383 OE1 GLU A 28 13.667 -13.856 -1.642 1.00 0.00 O ATOM 384 OE2 GLU A 28 13.229 -15.546 -0.307 1.00 0.00 O ATOM 0 H GLU A 28 9.373 -11.838 1.609 1.00 0.00 H new ATOM 0 HA GLU A 28 11.932 -10.703 0.768 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.590 -13.043 -0.643 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.934 -12.117 -1.283 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.187 -12.798 0.888 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.913 -13.984 1.095 1.00 0.00 H new ATOM 391 N GLU A 29 10.691 -9.256 -0.823 1.00 0.00 N ATOM 392 CA GLU A 29 9.926 -8.304 -1.621 1.00 0.00 C ATOM 393 C GLU A 29 8.946 -9.028 -2.539 1.00 0.00 C ATOM 394 O GLU A 29 7.768 -8.676 -2.607 1.00 0.00 O ATOM 395 CB GLU A 29 10.867 -7.428 -2.450 1.00 0.00 C ATOM 396 CG GLU A 29 10.153 -6.346 -3.241 1.00 0.00 C ATOM 397 CD GLU A 29 9.770 -6.800 -4.637 1.00 0.00 C ATOM 398 OE1 GLU A 29 8.984 -7.764 -4.752 1.00 0.00 O ATOM 399 OE2 GLU A 29 10.255 -6.191 -5.613 1.00 0.00 O ATOM 0 H GLU A 29 11.667 -8.997 -0.678 1.00 0.00 H new ATOM 0 HA GLU A 29 9.358 -7.671 -0.939 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.594 -6.961 -1.786 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.426 -8.061 -3.139 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.255 -6.041 -2.703 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.796 -5.469 -3.312 1.00 0.00 H new ATOM 406 N GLU A 30 9.441 -10.041 -3.244 1.00 0.00 N ATOM 407 CA GLU A 30 8.609 -10.813 -4.159 1.00 0.00 C ATOM 408 C GLU A 30 7.411 -11.414 -3.429 1.00 0.00 C ATOM 409 O GLU A 30 6.261 -11.144 -3.774 1.00 0.00 O ATOM 410 CB GLU A 30 9.430 -11.924 -4.816 1.00 0.00 C ATOM 411 CG GLU A 30 10.198 -12.781 -3.823 1.00 0.00 C ATOM 412 CD GLU A 30 11.393 -13.472 -4.451 1.00 0.00 C ATOM 413 OE1 GLU A 30 12.288 -12.763 -4.959 1.00 0.00 O ATOM 414 OE2 GLU A 30 11.434 -14.720 -4.436 1.00 0.00 O ATOM 0 H GLU A 30 10.413 -10.346 -3.199 1.00 0.00 H new ATOM 0 HA GLU A 30 8.241 -10.138 -4.932 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.763 -12.563 -5.395 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.134 -11.477 -5.518 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.537 -12.157 -2.996 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.529 -13.531 -3.402 1.00 0.00 H new ATOM 421 N ALA A 31 7.690 -12.231 -2.419 1.00 0.00 N ATOM 422 CA ALA A 31 6.636 -12.869 -1.640 1.00 0.00 C ATOM 423 C ALA A 31 5.687 -11.833 -1.047 1.00 0.00 C ATOM 424 O ALA A 31 4.477 -11.886 -1.269 1.00 0.00 O ATOM 425 CB ALA A 31 7.241 -13.726 -0.537 1.00 0.00 C ATOM 0 H ALA A 31 8.637 -12.467 -2.121 1.00 0.00 H new ATOM 0 HA ALA A 31 6.061 -13.509 -2.309 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.443 -14.197 0.037 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.872 -14.496 -0.980 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.842 -13.099 0.123 1.00 0.00 H new ATOM 431 N LEU A 32 6.243 -10.893 -0.291 1.00 0.00 N ATOM 432 CA LEU A 32 5.446 -9.844 0.335 1.00 0.00 C ATOM 433 C LEU A 32 4.349 -9.358 -0.607 1.00 0.00 C ATOM 434 O LEU A 32 3.175 -9.317 -0.241 1.00 0.00 O ATOM 435 CB LEU A 32 6.340 -8.672 0.744 1.00 0.00 C ATOM 436 CG LEU A 32 5.644 -7.515 1.462 1.00 0.00 C ATOM 437 CD1 LEU A 32 6.663 -6.493 1.940 1.00 0.00 C ATOM 438 CD2 LEU A 32 4.617 -6.861 0.549 1.00 0.00 C ATOM 0 H LEU A 32 7.243 -10.836 -0.097 1.00 0.00 H new ATOM 0 HA LEU A 32 4.976 -10.262 1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.130 -9.052 1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.823 -8.280 -0.151 1.00 0.00 H new ATOM 0 HG LEU A 32 5.124 -7.914 2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.149 -5.677 2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.360 -6.969 2.630 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.212 -6.099 1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.132 -6.040 1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.114 -6.477 -0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.868 -7.597 0.257 1.00 0.00 H new ATOM 450 N GLY A 33 4.741 -8.992 -1.824 1.00 0.00 N ATOM 451 CA GLY A 33 3.779 -8.516 -2.801 1.00 0.00 C ATOM 452 C GLY A 33 2.740 -9.564 -3.150 1.00 0.00 C ATOM 453 O GLY A 33 1.543 -9.342 -2.975 1.00 0.00 O ATOM 0 H GLY A 33 5.707 -9.017 -2.150 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.279 -7.629 -2.412 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.305 -8.214 -3.707 1.00 0.00 H new ATOM 457 N GLU A 34 3.200 -10.708 -3.648 1.00 0.00 N ATOM 458 CA GLU A 34 2.301 -11.792 -4.025 1.00 0.00 C ATOM 459 C GLU A 34 1.181 -11.951 -3.001 1.00 0.00 C ATOM 460 O GLU A 34 0.095 -12.435 -3.323 1.00 0.00 O ATOM 461 CB GLU A 34 3.077 -13.105 -4.157 1.00 0.00 C ATOM 462 CG GLU A 34 3.685 -13.316 -5.534 1.00 0.00 C ATOM 463 CD GLU A 34 4.712 -14.431 -5.552 1.00 0.00 C ATOM 464 OE1 GLU A 34 4.488 -15.455 -4.872 1.00 0.00 O ATOM 465 OE2 GLU A 34 5.740 -14.281 -6.245 1.00 0.00 O ATOM 0 H GLU A 34 4.189 -10.907 -3.799 1.00 0.00 H new ATOM 0 HA GLU A 34 1.856 -11.543 -4.988 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.872 -13.124 -3.411 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.409 -13.936 -3.933 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.892 -13.545 -6.246 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.154 -12.390 -5.866 1.00 0.00 H new ATOM 472 N VAL A 35 1.453 -11.541 -1.767 1.00 0.00 N ATOM 473 CA VAL A 35 0.469 -11.637 -0.695 1.00 0.00 C ATOM 474 C VAL A 35 -0.582 -10.539 -0.814 1.00 0.00 C ATOM 475 O VAL A 35 -1.783 -10.803 -0.743 1.00 0.00 O ATOM 476 CB VAL A 35 1.137 -11.546 0.690 1.00 0.00 C ATOM 477 CG1 VAL A 35 0.093 -11.636 1.793 1.00 0.00 C ATOM 478 CG2 VAL A 35 2.186 -12.636 0.847 1.00 0.00 C ATOM 0 H VAL A 35 2.347 -11.139 -1.484 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.013 -12.610 -0.794 1.00 0.00 H new ATOM 0 HB VAL A 35 1.635 -10.580 0.772 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.583 -11.570 2.764 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.618 -10.816 1.689 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.435 -12.586 1.717 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.648 -12.557 1.831 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.714 -13.613 0.745 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.949 -12.520 0.077 1.00 0.00 H new ATOM 488 N LEU A 36 -0.122 -9.305 -0.994 1.00 0.00 N ATOM 489 CA LEU A 36 -1.023 -8.165 -1.123 1.00 0.00 C ATOM 490 C LEU A 36 -1.745 -8.191 -2.466 1.00 0.00 C ATOM 491 O LEU A 36 -2.862 -7.688 -2.590 1.00 0.00 O ATOM 492 CB LEU A 36 -0.244 -6.856 -0.975 1.00 0.00 C ATOM 493 CG LEU A 36 0.619 -6.727 0.280 1.00 0.00 C ATOM 494 CD1 LEU A 36 1.433 -5.443 0.238 1.00 0.00 C ATOM 495 CD2 LEU A 36 -0.248 -6.770 1.530 1.00 0.00 C ATOM 0 H LEU A 36 0.868 -9.069 -1.054 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.768 -8.230 -0.330 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.399 -6.738 -1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.955 -6.030 -0.989 1.00 0.00 H new ATOM 0 HG LEU A 36 1.309 -7.570 0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.041 -5.368 1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.082 -5.452 -0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.760 -4.587 0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.383 -6.677 2.414 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.962 -5.947 1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.787 -7.717 1.567 1.00 0.00 H new ATOM 507 N GLN A 37 -1.101 -8.781 -3.468 1.00 0.00 N ATOM 508 CA GLN A 37 -1.684 -8.874 -4.801 1.00 0.00 C ATOM 509 C GLN A 37 -3.064 -9.521 -4.748 1.00 0.00 C ATOM 510 O GLN A 37 -3.951 -9.175 -5.528 1.00 0.00 O ATOM 511 CB GLN A 37 -0.767 -9.676 -5.727 1.00 0.00 C ATOM 512 CG GLN A 37 0.515 -8.947 -6.094 1.00 0.00 C ATOM 513 CD GLN A 37 1.107 -9.432 -7.402 1.00 0.00 C ATOM 514 OE1 GLN A 37 0.382 -9.761 -8.342 1.00 0.00 O ATOM 515 NE2 GLN A 37 2.433 -9.479 -7.471 1.00 0.00 N ATOM 0 H GLN A 37 -0.176 -9.202 -3.382 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.792 -7.863 -5.194 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.513 -10.620 -5.245 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.310 -9.921 -6.640 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.313 -7.878 -6.165 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.246 -9.081 -5.297 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.996 -9.197 -6.668 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.888 -9.797 -8.327 1.00 0.00 H new ATOM 524 N GLN A 38 -3.237 -10.460 -3.824 1.00 0.00 N ATOM 525 CA GLN A 38 -4.510 -11.155 -3.671 1.00 0.00 C ATOM 526 C GLN A 38 -5.675 -10.171 -3.700 1.00 0.00 C ATOM 527 O GLN A 38 -6.701 -10.426 -4.330 1.00 0.00 O ATOM 528 CB GLN A 38 -4.528 -11.947 -2.362 1.00 0.00 C ATOM 529 CG GLN A 38 -4.760 -11.084 -1.132 1.00 0.00 C ATOM 530 CD GLN A 38 -4.758 -11.888 0.153 1.00 0.00 C ATOM 531 OE1 GLN A 38 -5.752 -11.922 0.879 1.00 0.00 O ATOM 532 NE2 GLN A 38 -3.638 -12.540 0.443 1.00 0.00 N ATOM 0 H GLN A 38 -2.513 -10.757 -3.170 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.621 -11.845 -4.507 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.309 -12.705 -2.416 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.580 -12.474 -2.253 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.986 -10.319 -1.079 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.714 -10.566 -1.231 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.838 -12.484 -0.187 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.578 -13.097 1.296 1.00 0.00 H new ATOM 541 N PHE A 39 -5.509 -9.046 -3.012 1.00 0.00 N ATOM 542 CA PHE A 39 -6.548 -8.023 -2.958 1.00 0.00 C ATOM 543 C PHE A 39 -6.624 -7.255 -4.274 1.00 0.00 C ATOM 544 O PHE A 39 -7.709 -6.949 -4.765 1.00 0.00 O ATOM 545 CB PHE A 39 -6.280 -7.055 -1.804 1.00 0.00 C ATOM 546 CG PHE A 39 -6.116 -7.736 -0.475 1.00 0.00 C ATOM 547 CD1 PHE A 39 -7.223 -8.071 0.288 1.00 0.00 C ATOM 548 CD2 PHE A 39 -4.855 -8.042 0.010 1.00 0.00 C ATOM 549 CE1 PHE A 39 -7.076 -8.698 1.511 1.00 0.00 C ATOM 550 CE2 PHE A 39 -4.702 -8.670 1.232 1.00 0.00 C ATOM 551 CZ PHE A 39 -5.813 -8.997 1.984 1.00 0.00 C ATOM 0 H PHE A 39 -4.666 -8.819 -2.485 1.00 0.00 H new ATOM 0 HA PHE A 39 -7.504 -8.520 -2.792 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.379 -6.482 -2.023 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.103 -6.343 -1.739 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -8.213 -7.839 -0.077 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.982 -7.787 -0.573 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.947 -8.954 2.096 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.714 -8.905 1.598 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.695 -9.485 2.940 1.00 0.00 H new ATOM 561 N GLY A 40 -5.461 -6.946 -4.840 1.00 0.00 N ATOM 562 CA GLY A 40 -5.417 -6.215 -6.093 1.00 0.00 C ATOM 563 C GLY A 40 -4.022 -6.162 -6.685 1.00 0.00 C ATOM 564 O GLY A 40 -3.030 -6.219 -5.958 1.00 0.00 O ATOM 0 H GLY A 40 -4.549 -7.189 -4.453 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.094 -6.684 -6.807 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.778 -5.200 -5.930 1.00 0.00 H new ATOM 568 N ASP A 41 -3.945 -6.053 -8.006 1.00 0.00 N ATOM 569 CA ASP A 41 -2.661 -5.993 -8.695 1.00 0.00 C ATOM 570 C ASP A 41 -1.801 -4.861 -8.142 1.00 0.00 C ATOM 571 O ASP A 41 -2.155 -3.686 -8.253 1.00 0.00 O ATOM 572 CB ASP A 41 -2.873 -5.802 -10.198 1.00 0.00 C ATOM 573 CG ASP A 41 -3.783 -6.858 -10.793 1.00 0.00 C ATOM 574 OD1 ASP A 41 -4.997 -6.830 -10.500 1.00 0.00 O ATOM 575 OD2 ASP A 41 -3.282 -7.712 -11.553 1.00 0.00 O ATOM 0 H ASP A 41 -4.757 -6.004 -8.622 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.141 -6.936 -8.527 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.299 -4.815 -10.379 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.908 -5.831 -10.705 1.00 0.00 H new ATOM 580 N LEU A 42 -0.670 -5.222 -7.546 1.00 0.00 N ATOM 581 CA LEU A 42 0.242 -4.237 -6.975 1.00 0.00 C ATOM 582 C LEU A 42 1.026 -3.520 -8.069 1.00 0.00 C ATOM 583 O LEU A 42 1.684 -4.155 -8.894 1.00 0.00 O ATOM 584 CB LEU A 42 1.207 -4.912 -5.999 1.00 0.00 C ATOM 585 CG LEU A 42 0.632 -5.278 -4.630 1.00 0.00 C ATOM 586 CD1 LEU A 42 1.328 -6.508 -4.070 1.00 0.00 C ATOM 587 CD2 LEU A 42 0.758 -4.106 -3.668 1.00 0.00 C ATOM 0 H LEU A 42 -0.363 -6.189 -7.446 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.352 -3.498 -6.437 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.587 -5.821 -6.466 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.060 -4.251 -5.847 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.426 -5.509 -4.752 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.905 -6.753 -3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.185 -7.348 -4.749 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.394 -6.306 -3.963 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.344 -4.384 -2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.809 -3.843 -3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.211 -3.250 -4.064 1.00 0.00 H new ATOM 599 N LYS A 43 0.952 -2.193 -8.071 1.00 0.00 N ATOM 600 CA LYS A 43 1.657 -1.389 -9.062 1.00 0.00 C ATOM 601 C LYS A 43 3.167 -1.548 -8.918 1.00 0.00 C ATOM 602 O LYS A 43 3.885 -1.673 -9.910 1.00 0.00 O ATOM 603 CB LYS A 43 1.273 0.086 -8.918 1.00 0.00 C ATOM 604 CG LYS A 43 2.142 1.023 -9.739 1.00 0.00 C ATOM 605 CD LYS A 43 1.667 1.105 -11.180 1.00 0.00 C ATOM 606 CE LYS A 43 2.332 2.254 -11.921 1.00 0.00 C ATOM 607 NZ LYS A 43 3.657 1.863 -12.476 1.00 0.00 N ATOM 0 H LYS A 43 0.411 -1.652 -7.397 1.00 0.00 H new ATOM 0 HA LYS A 43 1.365 -1.740 -10.052 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.233 0.213 -9.217 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.339 0.369 -7.868 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.128 2.018 -9.293 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.175 0.677 -9.715 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.885 0.167 -11.690 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.585 1.235 -11.201 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.683 2.588 -12.731 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.457 3.099 -11.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.078 2.674 -12.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.285 1.569 -11.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.535 1.073 -13.142 1.00 0.00 H new ATOM 621 N TYR A 44 3.642 -1.545 -7.677 1.00 0.00 N ATOM 622 CA TYR A 44 5.067 -1.689 -7.404 1.00 0.00 C ATOM 623 C TYR A 44 5.302 -2.170 -5.975 1.00 0.00 C ATOM 624 O TYR A 44 4.574 -1.799 -5.055 1.00 0.00 O ATOM 625 CB TYR A 44 5.787 -0.359 -7.630 1.00 0.00 C ATOM 626 CG TYR A 44 5.890 0.494 -6.386 1.00 0.00 C ATOM 627 CD1 TYR A 44 6.888 0.269 -5.446 1.00 0.00 C ATOM 628 CD2 TYR A 44 4.988 1.524 -6.149 1.00 0.00 C ATOM 629 CE1 TYR A 44 6.986 1.045 -4.307 1.00 0.00 C ATOM 630 CE2 TYR A 44 5.079 2.306 -5.014 1.00 0.00 C ATOM 631 CZ TYR A 44 6.079 2.062 -4.096 1.00 0.00 C ATOM 632 OH TYR A 44 6.172 2.838 -2.963 1.00 0.00 O ATOM 0 H TYR A 44 3.061 -1.444 -6.845 1.00 0.00 H new ATOM 0 HA TYR A 44 5.469 -2.434 -8.090 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.790 -0.558 -8.008 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.261 0.202 -8.402 1.00 0.00 H new ATOM 0 HD1 TYR A 44 7.600 -0.527 -5.608 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.202 1.716 -6.865 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.768 0.856 -3.586 1.00 0.00 H new ATOM 0 HE2 TYR A 44 4.371 3.104 -4.846 1.00 0.00 H new ATOM 0 HH TYR A 44 5.459 3.510 -2.967 1.00 0.00 H new ATOM 642 N VAL A 45 6.325 -3.000 -5.799 1.00 0.00 N ATOM 643 CA VAL A 45 6.659 -3.533 -4.483 1.00 0.00 C ATOM 644 C VAL A 45 8.143 -3.357 -4.179 1.00 0.00 C ATOM 645 O VAL A 45 8.999 -3.888 -4.887 1.00 0.00 O ATOM 646 CB VAL A 45 6.297 -5.026 -4.374 1.00 0.00 C ATOM 647 CG1 VAL A 45 6.865 -5.801 -5.553 1.00 0.00 C ATOM 648 CG2 VAL A 45 6.798 -5.600 -3.057 1.00 0.00 C ATOM 0 H VAL A 45 6.937 -3.318 -6.551 1.00 0.00 H new ATOM 0 HA VAL A 45 6.073 -2.971 -3.756 1.00 0.00 H new ATOM 0 HB VAL A 45 5.211 -5.122 -4.397 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.599 -6.854 -5.458 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.453 -5.405 -6.481 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.950 -5.701 -5.565 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.534 -6.656 -2.996 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.881 -5.493 -3.002 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.338 -5.063 -2.228 1.00 0.00 H new ATOM 658 N ARG A 46 8.440 -2.608 -3.122 1.00 0.00 N ATOM 659 CA ARG A 46 9.821 -2.362 -2.725 1.00 0.00 C ATOM 660 C ARG A 46 9.986 -2.505 -1.215 1.00 0.00 C ATOM 661 O ARG A 46 9.161 -2.019 -0.441 1.00 0.00 O ATOM 662 CB ARG A 46 10.260 -0.964 -3.167 1.00 0.00 C ATOM 663 CG ARG A 46 11.745 -0.860 -3.473 1.00 0.00 C ATOM 664 CD ARG A 46 12.165 0.582 -3.712 1.00 0.00 C ATOM 665 NE ARG A 46 11.704 1.079 -5.005 1.00 0.00 N ATOM 666 CZ ARG A 46 12.080 2.244 -5.521 1.00 0.00 C ATOM 667 NH1 ARG A 46 12.919 3.027 -4.857 1.00 0.00 N ATOM 668 NH2 ARG A 46 11.617 2.627 -6.704 1.00 0.00 N ATOM 0 H ARG A 46 7.743 -2.161 -2.526 1.00 0.00 H new ATOM 0 HA ARG A 46 10.451 -3.105 -3.214 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.694 -0.678 -4.054 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.008 -0.249 -2.384 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.318 -1.274 -2.644 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.979 -1.459 -4.353 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.765 1.212 -2.918 1.00 0.00 H new ATOM 0 HD3 ARG A 46 13.251 0.656 -3.661 1.00 0.00 H new ATOM 0 HE ARG A 46 11.058 0.500 -5.542 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.277 2.735 -3.948 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.206 3.921 -5.256 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.972 2.027 -7.218 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.906 3.522 -7.100 1.00 0.00 H new ATOM 682 N VAL A 47 11.057 -3.175 -0.803 1.00 0.00 N ATOM 683 CA VAL A 47 11.331 -3.382 0.614 1.00 0.00 C ATOM 684 C VAL A 47 12.666 -2.762 1.012 1.00 0.00 C ATOM 685 O VAL A 47 13.712 -3.107 0.461 1.00 0.00 O ATOM 686 CB VAL A 47 11.347 -4.880 0.970 1.00 0.00 C ATOM 687 CG1 VAL A 47 12.365 -5.621 0.117 1.00 0.00 C ATOM 688 CG2 VAL A 47 11.639 -5.073 2.451 1.00 0.00 C ATOM 0 H VAL A 47 11.749 -3.584 -1.430 1.00 0.00 H new ATOM 0 HA VAL A 47 10.528 -2.894 1.166 1.00 0.00 H new ATOM 0 HB VAL A 47 10.361 -5.296 0.760 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.362 -6.678 0.383 1.00 0.00 H new ATOM 0 HG12 VAL A 47 12.106 -5.511 -0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 47 13.357 -5.206 0.292 1.00 0.00 H new ATOM 0 HG21 VAL A 47 11.646 -6.138 2.685 1.00 0.00 H new ATOM 0 HG22 VAL A 47 12.612 -4.642 2.689 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.868 -4.577 3.041 1.00 0.00 H new ATOM 698 N VAL A 48 12.624 -1.845 1.974 1.00 0.00 N ATOM 699 CA VAL A 48 13.830 -1.178 2.448 1.00 0.00 C ATOM 700 C VAL A 48 14.838 -2.185 2.991 1.00 0.00 C ATOM 701 O VAL A 48 14.472 -3.134 3.685 1.00 0.00 O ATOM 702 CB VAL A 48 13.508 -0.148 3.546 1.00 0.00 C ATOM 703 CG1 VAL A 48 12.734 -0.802 4.681 1.00 0.00 C ATOM 704 CG2 VAL A 48 14.785 0.497 4.063 1.00 0.00 C ATOM 0 H VAL A 48 11.767 -1.547 2.440 1.00 0.00 H new ATOM 0 HA VAL A 48 14.262 -0.661 1.591 1.00 0.00 H new ATOM 0 HB VAL A 48 12.883 0.634 3.114 1.00 0.00 H new ATOM 0 HG11 VAL A 48 12.515 -0.059 5.448 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.800 -1.212 4.296 1.00 0.00 H new ATOM 0 HG13 VAL A 48 13.331 -1.605 5.114 1.00 0.00 H new ATOM 0 HG21 VAL A 48 14.538 1.222 4.838 1.00 0.00 H new ATOM 0 HG22 VAL A 48 15.438 -0.271 4.479 1.00 0.00 H new ATOM 0 HG23 VAL A 48 15.295 1.002 3.243 1.00 0.00 H new ATOM 857 N GLY A 58 12.923 -4.117 8.502 1.00 0.00 N ATOM 858 CA GLY A 58 11.722 -4.605 9.155 1.00 0.00 C ATOM 859 C GLY A 58 10.470 -3.908 8.662 1.00 0.00 C ATOM 860 O GLY A 58 9.460 -3.859 9.366 1.00 0.00 O ATOM 0 HA2 GLY A 58 11.629 -5.677 8.983 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.814 -4.462 10.232 1.00 0.00 H new ATOM 864 N CYS A 59 10.535 -3.366 7.451 1.00 0.00 N ATOM 865 CA CYS A 59 9.398 -2.665 6.865 1.00 0.00 C ATOM 866 C CYS A 59 9.544 -2.563 5.350 1.00 0.00 C ATOM 867 O CYS A 59 10.653 -2.618 4.819 1.00 0.00 O ATOM 868 CB CYS A 59 9.264 -1.268 7.473 1.00 0.00 C ATOM 869 SG CYS A 59 10.653 -0.169 7.108 1.00 0.00 S ATOM 0 H CYS A 59 11.363 -3.398 6.856 1.00 0.00 H new ATOM 0 HA CYS A 59 8.497 -3.237 7.087 1.00 0.00 H new ATOM 0 HB2 CYS A 59 8.346 -0.810 7.106 1.00 0.00 H new ATOM 0 HB3 CYS A 59 9.163 -1.362 8.554 1.00 0.00 H new ATOM 0 HG CYS A 59 11.767 -0.832 7.201 1.00 0.00 H new ATOM 875 N ALA A 60 8.418 -2.415 4.661 1.00 0.00 N ATOM 876 CA ALA A 60 8.421 -2.304 3.207 1.00 0.00 C ATOM 877 C ALA A 60 7.246 -1.464 2.718 1.00 0.00 C ATOM 878 O ALA A 60 6.222 -1.358 3.394 1.00 0.00 O ATOM 879 CB ALA A 60 8.384 -3.686 2.573 1.00 0.00 C ATOM 0 H ALA A 60 7.492 -2.369 5.086 1.00 0.00 H new ATOM 0 HA ALA A 60 9.341 -1.803 2.907 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.387 -3.588 1.487 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.259 -4.255 2.888 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.480 -4.207 2.888 1.00 0.00 H new ATOM 885 N PHE A 61 7.400 -0.868 1.540 1.00 0.00 N ATOM 886 CA PHE A 61 6.352 -0.036 0.962 1.00 0.00 C ATOM 887 C PHE A 61 5.875 -0.609 -0.370 1.00 0.00 C ATOM 888 O PHE A 61 6.679 -1.042 -1.195 1.00 0.00 O ATOM 889 CB PHE A 61 6.859 1.394 0.762 1.00 0.00 C ATOM 890 CG PHE A 61 7.430 2.007 2.008 1.00 0.00 C ATOM 891 CD1 PHE A 61 8.725 1.718 2.407 1.00 0.00 C ATOM 892 CD2 PHE A 61 6.673 2.873 2.780 1.00 0.00 C ATOM 893 CE1 PHE A 61 9.253 2.281 3.554 1.00 0.00 C ATOM 894 CE2 PHE A 61 7.195 3.438 3.928 1.00 0.00 C ATOM 895 CZ PHE A 61 8.488 3.143 4.315 1.00 0.00 C ATOM 0 H PHE A 61 8.241 -0.946 0.967 1.00 0.00 H new ATOM 0 HA PHE A 61 5.510 -0.023 1.654 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.622 1.395 -0.016 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.038 2.015 0.404 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.329 1.046 1.815 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.663 3.109 2.481 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.263 2.047 3.855 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.593 4.109 4.522 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.899 3.585 5.210 1.00 0.00 H new ATOM 905 N ALA A 62 4.561 -0.608 -0.571 1.00 0.00 N ATOM 906 CA ALA A 62 3.976 -1.127 -1.801 1.00 0.00 C ATOM 907 C ALA A 62 2.895 -0.191 -2.332 1.00 0.00 C ATOM 908 O ALA A 62 2.595 0.834 -1.720 1.00 0.00 O ATOM 909 CB ALA A 62 3.406 -2.518 -1.569 1.00 0.00 C ATOM 0 H ALA A 62 3.882 -0.253 0.102 1.00 0.00 H new ATOM 0 HA ALA A 62 4.765 -1.191 -2.551 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.972 -2.893 -2.496 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.202 -3.188 -1.244 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.634 -2.472 -0.801 1.00 0.00 H new ATOM 915 N GLN A 63 2.316 -0.550 -3.473 1.00 0.00 N ATOM 916 CA GLN A 63 1.270 0.259 -4.085 1.00 0.00 C ATOM 917 C GLN A 63 0.247 -0.621 -4.796 1.00 0.00 C ATOM 918 O GLN A 63 0.559 -1.733 -5.224 1.00 0.00 O ATOM 919 CB GLN A 63 1.879 1.254 -5.075 1.00 0.00 C ATOM 920 CG GLN A 63 1.030 2.497 -5.288 1.00 0.00 C ATOM 921 CD GLN A 63 1.541 3.366 -6.420 1.00 0.00 C ATOM 922 OE1 GLN A 63 2.330 2.919 -7.253 1.00 0.00 O ATOM 923 NE2 GLN A 63 1.093 4.616 -6.456 1.00 0.00 N ATOM 0 H GLN A 63 2.554 -1.395 -3.992 1.00 0.00 H new ATOM 0 HA GLN A 63 0.762 0.809 -3.293 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.864 1.554 -4.717 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.026 0.756 -6.033 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.003 2.199 -5.499 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.010 3.081 -4.368 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.440 4.944 -5.745 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.402 5.248 -7.195 1.00 0.00 H new ATOM 932 N PHE A 64 -0.977 -0.117 -4.918 1.00 0.00 N ATOM 933 CA PHE A 64 -2.047 -0.858 -5.576 1.00 0.00 C ATOM 934 C PHE A 64 -2.491 -0.152 -6.854 1.00 0.00 C ATOM 935 O PHE A 64 -2.095 0.982 -7.119 1.00 0.00 O ATOM 936 CB PHE A 64 -3.238 -1.023 -4.630 1.00 0.00 C ATOM 937 CG PHE A 64 -3.144 -2.240 -3.755 1.00 0.00 C ATOM 938 CD1 PHE A 64 -3.633 -3.462 -4.190 1.00 0.00 C ATOM 939 CD2 PHE A 64 -2.568 -2.163 -2.498 1.00 0.00 C ATOM 940 CE1 PHE A 64 -3.549 -4.584 -3.387 1.00 0.00 C ATOM 941 CE2 PHE A 64 -2.480 -3.282 -1.691 1.00 0.00 C ATOM 942 CZ PHE A 64 -2.972 -4.493 -2.136 1.00 0.00 C ATOM 0 H PHE A 64 -1.252 0.801 -4.570 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.664 -1.843 -5.841 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.317 -0.137 -4.000 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.154 -1.078 -5.218 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.085 -3.538 -5.168 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.183 -1.218 -2.144 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.934 -5.530 -3.738 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.027 -3.209 -0.713 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.906 -5.368 -1.506 1.00 0.00 H new ATOM 952 N MET A 65 -3.317 -0.833 -7.642 1.00 0.00 N ATOM 953 CA MET A 65 -3.817 -0.271 -8.892 1.00 0.00 C ATOM 954 C MET A 65 -5.061 0.577 -8.648 1.00 0.00 C ATOM 955 O MET A 65 -5.331 1.527 -9.383 1.00 0.00 O ATOM 956 CB MET A 65 -4.134 -1.389 -9.887 1.00 0.00 C ATOM 957 CG MET A 65 -2.935 -1.824 -10.715 1.00 0.00 C ATOM 958 SD MET A 65 -2.775 -0.890 -12.249 1.00 0.00 S ATOM 959 CE MET A 65 -1.528 0.310 -11.786 1.00 0.00 C ATOM 0 H MET A 65 -3.654 -1.774 -7.438 1.00 0.00 H new ATOM 0 HA MET A 65 -3.040 0.369 -9.311 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.521 -2.250 -9.342 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.926 -1.054 -10.557 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.027 -1.703 -10.124 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.025 -2.885 -10.948 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.053 0.705 -12.684 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.995 1.125 -11.233 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.777 -0.170 -11.159 1.00 0.00 H new ATOM 969 N THR A 66 -5.816 0.227 -7.611 1.00 0.00 N ATOM 970 CA THR A 66 -7.032 0.955 -7.272 1.00 0.00 C ATOM 971 C THR A 66 -7.150 1.157 -5.765 1.00 0.00 C ATOM 972 O THR A 66 -6.914 0.234 -4.986 1.00 0.00 O ATOM 973 CB THR A 66 -8.287 0.219 -7.779 1.00 0.00 C ATOM 974 OG1 THR A 66 -8.321 -1.112 -7.253 1.00 0.00 O ATOM 975 CG2 THR A 66 -8.309 0.170 -9.299 1.00 0.00 C ATOM 0 H THR A 66 -5.606 -0.556 -6.992 1.00 0.00 H new ATOM 0 HA THR A 66 -6.966 1.926 -7.762 1.00 0.00 H new ATOM 0 HB THR A 66 -9.165 0.767 -7.436 1.00 0.00 H new ATOM 0 HG1 THR A 66 -9.123 -1.572 -7.579 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.204 -0.354 -9.633 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.314 1.185 -9.696 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.425 -0.356 -9.659 1.00 0.00 H new ATOM 983 N GLN A 67 -7.516 2.369 -5.362 1.00 0.00 N ATOM 984 CA GLN A 67 -7.664 2.692 -3.948 1.00 0.00 C ATOM 985 C GLN A 67 -8.334 1.546 -3.196 1.00 0.00 C ATOM 986 O GLN A 67 -7.816 1.066 -2.189 1.00 0.00 O ATOM 987 CB GLN A 67 -8.479 3.975 -3.778 1.00 0.00 C ATOM 988 CG GLN A 67 -7.700 5.238 -4.103 1.00 0.00 C ATOM 989 CD GLN A 67 -8.519 6.498 -3.900 1.00 0.00 C ATOM 990 OE1 GLN A 67 -9.270 6.615 -2.931 1.00 0.00 O ATOM 991 NE2 GLN A 67 -8.378 7.449 -4.816 1.00 0.00 N ATOM 0 H GLN A 67 -7.716 3.144 -5.995 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.669 2.845 -3.530 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.358 3.925 -4.421 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.838 4.034 -2.751 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.810 5.283 -3.475 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.359 5.194 -5.137 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.744 7.309 -5.603 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.903 8.319 -4.733 1.00 0.00 H new ATOM 1000 N GLU A 68 -9.489 1.114 -3.693 1.00 0.00 N ATOM 1001 CA GLU A 68 -10.230 0.025 -3.066 1.00 0.00 C ATOM 1002 C GLU A 68 -9.287 -1.088 -2.619 1.00 0.00 C ATOM 1003 O GLU A 68 -9.406 -1.609 -1.511 1.00 0.00 O ATOM 1004 CB GLU A 68 -11.274 -0.534 -4.035 1.00 0.00 C ATOM 1005 CG GLU A 68 -12.507 -1.093 -3.344 1.00 0.00 C ATOM 1006 CD GLU A 68 -13.438 -0.006 -2.844 1.00 0.00 C ATOM 1007 OE1 GLU A 68 -13.613 1.001 -3.561 1.00 0.00 O ATOM 1008 OE2 GLU A 68 -13.993 -0.163 -1.736 1.00 0.00 O ATOM 0 H GLU A 68 -9.931 1.501 -4.527 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.737 0.423 -2.187 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.579 0.255 -4.722 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.816 -1.320 -4.635 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.047 -1.738 -4.038 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.198 -1.716 -2.505 1.00 0.00 H new ATOM 1015 N ALA A 69 -8.350 -1.447 -3.491 1.00 0.00 N ATOM 1016 CA ALA A 69 -7.386 -2.497 -3.186 1.00 0.00 C ATOM 1017 C ALA A 69 -6.653 -2.208 -1.880 1.00 0.00 C ATOM 1018 O ALA A 69 -6.651 -3.029 -0.964 1.00 0.00 O ATOM 1019 CB ALA A 69 -6.392 -2.649 -4.328 1.00 0.00 C ATOM 0 H ALA A 69 -8.238 -1.026 -4.413 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.932 -3.433 -3.066 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.678 -3.436 -4.087 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.925 -2.910 -5.242 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.860 -1.709 -4.475 1.00 0.00 H new ATOM 1025 N ALA A 70 -6.033 -1.035 -1.803 1.00 0.00 N ATOM 1026 CA ALA A 70 -5.298 -0.637 -0.608 1.00 0.00 C ATOM 1027 C ALA A 70 -6.166 -0.767 0.639 1.00 0.00 C ATOM 1028 O ALA A 70 -5.740 -1.333 1.645 1.00 0.00 O ATOM 1029 CB ALA A 70 -4.788 0.789 -0.753 1.00 0.00 C ATOM 0 H ALA A 70 -6.025 -0.344 -2.553 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.445 -1.306 -0.496 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.241 1.073 0.146 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.125 0.852 -1.616 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.632 1.465 -0.893 1.00 0.00 H new ATOM 1035 N GLN A 71 -7.383 -0.239 0.564 1.00 0.00 N ATOM 1036 CA GLN A 71 -8.310 -0.296 1.689 1.00 0.00 C ATOM 1037 C GLN A 71 -8.603 -1.740 2.080 1.00 0.00 C ATOM 1038 O GLN A 71 -8.697 -2.068 3.263 1.00 0.00 O ATOM 1039 CB GLN A 71 -9.613 0.425 1.340 1.00 0.00 C ATOM 1040 CG GLN A 71 -9.413 1.871 0.916 1.00 0.00 C ATOM 1041 CD GLN A 71 -8.296 2.555 1.679 1.00 0.00 C ATOM 1042 OE1 GLN A 71 -7.056 2.248 1.316 1.00 0.00 O flip ATOM 1043 NE2 GLN A 71 -8.544 3.349 2.587 1.00 0.00 N flip ATOM 0 H GLN A 71 -7.750 0.233 -0.262 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.843 0.203 2.538 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.113 -0.115 0.536 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.277 0.397 2.204 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.193 1.905 -0.151 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.341 2.422 1.068 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.512 3.556 2.833 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.781 3.800 3.093 1.00 0.00 H new ATOM 1052 N LYS A 72 -8.749 -2.601 1.079 1.00 0.00 N ATOM 1053 CA LYS A 72 -9.031 -4.012 1.317 1.00 0.00 C ATOM 1054 C LYS A 72 -7.892 -4.673 2.086 1.00 0.00 C ATOM 1055 O LYS A 72 -8.117 -5.573 2.896 1.00 0.00 O ATOM 1056 CB LYS A 72 -9.254 -4.740 -0.011 1.00 0.00 C ATOM 1057 CG LYS A 72 -10.609 -4.462 -0.637 1.00 0.00 C ATOM 1058 CD LYS A 72 -10.751 -5.146 -1.987 1.00 0.00 C ATOM 1059 CE LYS A 72 -12.002 -4.685 -2.717 1.00 0.00 C ATOM 1060 NZ LYS A 72 -12.288 -5.524 -3.913 1.00 0.00 N ATOM 0 H LYS A 72 -8.677 -2.346 0.094 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.938 -4.079 1.918 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.472 -4.447 -0.712 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.151 -5.813 0.151 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.397 -4.808 0.032 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.742 -3.387 -0.757 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.873 -4.934 -2.598 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.788 -6.226 -1.846 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.853 -4.720 -2.037 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.882 -3.646 -3.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.149 -5.177 -4.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.487 -5.470 -4.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.428 -6.512 -3.619 1.00 0.00 H new ATOM 1074 N CYS A 73 -6.670 -4.220 1.829 1.00 0.00 N ATOM 1075 CA CYS A 73 -5.495 -4.767 2.499 1.00 0.00 C ATOM 1076 C CYS A 73 -5.501 -4.414 3.983 1.00 0.00 C ATOM 1077 O CYS A 73 -5.075 -5.207 4.823 1.00 0.00 O ATOM 1078 CB CYS A 73 -4.218 -4.242 1.842 1.00 0.00 C ATOM 1079 SG CYS A 73 -2.694 -4.819 2.626 1.00 0.00 S ATOM 0 H CYS A 73 -6.467 -3.476 1.162 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.525 -5.852 2.403 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.211 -4.542 0.794 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.234 -3.152 1.861 1.00 0.00 H new ATOM 0 HG CYS A 73 -2.957 -5.244 3.826 1.00 0.00 H new ATOM 1085 N LEU A 74 -5.986 -3.218 4.299 1.00 0.00 N ATOM 1086 CA LEU A 74 -6.046 -2.758 5.682 1.00 0.00 C ATOM 1087 C LEU A 74 -7.000 -3.620 6.501 1.00 0.00 C ATOM 1088 O LEU A 74 -6.588 -4.298 7.442 1.00 0.00 O ATOM 1089 CB LEU A 74 -6.489 -1.295 5.734 1.00 0.00 C ATOM 1090 CG LEU A 74 -5.663 -0.313 4.903 1.00 0.00 C ATOM 1091 CD1 LEU A 74 -6.331 1.053 4.870 1.00 0.00 C ATOM 1092 CD2 LEU A 74 -4.249 -0.203 5.456 1.00 0.00 C ATOM 0 H LEU A 74 -6.343 -2.550 3.616 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.048 -2.844 6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.526 -1.238 5.402 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.469 -0.967 6.773 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.605 -0.691 3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.728 1.738 4.274 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.323 0.962 4.427 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.421 1.439 5.886 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.676 0.500 4.852 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.288 0.151 6.486 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.770 -1.181 5.426 1.00 0.00 H new ATOM 1104 N ALA A 75 -8.278 -3.590 6.136 1.00 0.00 N ATOM 1105 CA ALA A 75 -9.291 -4.372 6.834 1.00 0.00 C ATOM 1106 C ALA A 75 -8.850 -5.824 6.993 1.00 0.00 C ATOM 1107 O ALA A 75 -9.173 -6.475 7.987 1.00 0.00 O ATOM 1108 CB ALA A 75 -10.618 -4.299 6.094 1.00 0.00 C ATOM 0 H ALA A 75 -8.636 -3.032 5.361 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.420 -3.947 7.830 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.365 -4.888 6.627 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.947 -3.261 6.038 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.495 -4.696 5.086 1.00 0.00 H new ATOM 1114 N ALA A 76 -8.113 -6.325 6.008 1.00 0.00 N ATOM 1115 CA ALA A 76 -7.627 -7.699 6.040 1.00 0.00 C ATOM 1116 C ALA A 76 -6.386 -7.823 6.917 1.00 0.00 C ATOM 1117 O ALA A 76 -6.142 -8.867 7.520 1.00 0.00 O ATOM 1118 CB ALA A 76 -7.331 -8.187 4.630 1.00 0.00 C ATOM 0 H ALA A 76 -7.839 -5.800 5.177 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.408 -8.324 6.472 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.969 -9.214 4.669 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.241 -8.146 4.032 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.570 -7.551 4.177 1.00 0.00 H new ATOM 1124 N ALA A 77 -5.604 -6.750 6.982 1.00 0.00 N ATOM 1125 CA ALA A 77 -4.388 -6.738 7.786 1.00 0.00 C ATOM 1126 C ALA A 77 -4.700 -6.435 9.247 1.00 0.00 C ATOM 1127 O ALA A 77 -3.795 -6.212 10.051 1.00 0.00 O ATOM 1128 CB ALA A 77 -3.399 -5.723 7.233 1.00 0.00 C ATOM 0 H ALA A 77 -5.791 -5.878 6.487 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.939 -7.730 7.736 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.496 -5.725 7.843 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.144 -5.986 6.206 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.848 -4.730 7.252 1.00 0.00 H new ATOM 1134 N SER A 78 -5.985 -6.429 9.585 1.00 0.00 N ATOM 1135 CA SER A 78 -6.416 -6.148 10.949 1.00 0.00 C ATOM 1136 C SER A 78 -6.772 -7.438 11.682 1.00 0.00 C ATOM 1137 O SER A 78 -7.855 -7.994 11.496 1.00 0.00 O ATOM 1138 CB SER A 78 -7.619 -5.203 10.943 1.00 0.00 C ATOM 1139 OG SER A 78 -7.642 -4.399 12.109 1.00 0.00 O ATOM 0 H SER A 78 -6.746 -6.616 8.932 1.00 0.00 H new ATOM 0 HA SER A 78 -5.590 -5.668 11.473 1.00 0.00 H new ATOM 0 HB2 SER A 78 -7.581 -4.566 10.059 1.00 0.00 H new ATOM 0 HB3 SER A 78 -8.540 -5.782 10.879 1.00 0.00 H new ATOM 0 HG SER A 78 -8.419 -3.803 12.080 1.00 0.00 H new ATOM 1225 N LEU A 86 -3.426 -10.608 8.445 1.00 0.00 N ATOM 1226 CA LEU A 86 -2.377 -11.205 7.626 1.00 0.00 C ATOM 1227 C LEU A 86 -1.133 -11.495 8.460 1.00 0.00 C ATOM 1228 O LEU A 86 -0.766 -10.716 9.339 1.00 0.00 O ATOM 1229 CB LEU A 86 -2.020 -10.276 6.464 1.00 0.00 C ATOM 1230 CG LEU A 86 -2.868 -10.424 5.201 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -4.288 -9.942 5.452 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -2.241 -9.661 4.044 1.00 0.00 C ATOM 0 HA LEU A 86 -2.753 -12.148 7.228 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.099 -9.246 6.811 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.976 -10.444 6.198 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.906 -11.480 4.935 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.877 -10.055 4.542 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.737 -10.533 6.250 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.270 -8.892 5.744 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.859 -9.778 3.154 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.171 -8.604 4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.243 -10.053 3.848 1.00 0.00 H new ATOM 1244 N LYS A 87 -0.488 -12.622 8.177 1.00 0.00 N ATOM 1245 CA LYS A 87 0.717 -13.015 8.899 1.00 0.00 C ATOM 1246 C LYS A 87 1.715 -13.690 7.963 1.00 0.00 C ATOM 1247 O LYS A 87 1.368 -14.624 7.238 1.00 0.00 O ATOM 1248 CB LYS A 87 0.362 -13.959 10.050 1.00 0.00 C ATOM 1249 CG LYS A 87 -0.206 -13.248 11.266 1.00 0.00 C ATOM 1250 CD LYS A 87 0.135 -13.983 12.551 1.00 0.00 C ATOM 1251 CE LYS A 87 -0.962 -14.960 12.943 1.00 0.00 C ATOM 1252 NZ LYS A 87 -0.781 -16.288 12.293 1.00 0.00 N ATOM 0 H LYS A 87 -0.779 -13.279 7.453 1.00 0.00 H new ATOM 0 HA LYS A 87 1.178 -12.114 9.305 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.363 -14.693 9.697 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.255 -14.510 10.346 1.00 0.00 H new ATOM 0 HG2 LYS A 87 0.187 -12.232 11.311 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.289 -13.167 11.168 1.00 0.00 H new ATOM 0 HD2 LYS A 87 1.075 -14.521 12.425 1.00 0.00 H new ATOM 0 HD3 LYS A 87 0.286 -13.262 13.355 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.968 -15.084 14.026 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -1.932 -14.548 12.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.549 -16.925 12.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.801 -16.174 11.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.133 -16.693 12.579 1.00 0.00 H new ATOM 1266 N LEU A 88 2.955 -13.214 7.985 1.00 0.00 N ATOM 1267 CA LEU A 88 4.004 -13.773 7.139 1.00 0.00 C ATOM 1268 C LEU A 88 5.114 -14.389 7.985 1.00 0.00 C ATOM 1269 O LEU A 88 5.920 -13.676 8.583 1.00 0.00 O ATOM 1270 CB LEU A 88 4.583 -12.689 6.228 1.00 0.00 C ATOM 1271 CG LEU A 88 5.140 -13.168 4.886 1.00 0.00 C ATOM 1272 CD1 LEU A 88 4.027 -13.278 3.855 1.00 0.00 C ATOM 1273 CD2 LEU A 88 6.232 -12.228 4.396 1.00 0.00 C ATOM 0 H LEU A 88 3.259 -12.443 8.579 1.00 0.00 H new ATOM 0 HA LEU A 88 3.563 -14.558 6.524 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.804 -11.952 6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.379 -12.176 6.767 1.00 0.00 H new ATOM 0 HG LEU A 88 5.576 -14.157 5.027 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.442 -13.620 2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.279 -13.991 4.202 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.562 -12.302 3.716 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.617 -12.584 3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.821 -11.226 4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.042 -12.199 5.125 1.00 0.00 H new ATOM 1285 N ASP A 89 5.151 -15.716 8.027 1.00 0.00 N ATOM 1286 CA ASP A 89 6.165 -16.428 8.797 1.00 0.00 C ATOM 1287 C ASP A 89 5.940 -16.243 10.294 1.00 0.00 C ATOM 1288 O ASP A 89 6.890 -16.083 11.059 1.00 0.00 O ATOM 1289 CB ASP A 89 7.563 -15.940 8.414 1.00 0.00 C ATOM 1290 CG ASP A 89 8.658 -16.840 8.953 1.00 0.00 C ATOM 1291 OD1 ASP A 89 8.498 -18.077 8.883 1.00 0.00 O ATOM 1292 OD2 ASP A 89 9.674 -16.307 9.444 1.00 0.00 O ATOM 0 H ASP A 89 4.491 -16.320 7.537 1.00 0.00 H new ATOM 0 HA ASP A 89 6.083 -17.490 8.564 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.642 -15.887 7.328 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.708 -14.929 8.793 1.00 0.00 H new ATOM 1297 N GLY A 90 4.676 -16.266 10.705 1.00 0.00 N ATOM 1298 CA GLY A 90 4.349 -16.099 12.109 1.00 0.00 C ATOM 1299 C GLY A 90 4.613 -14.690 12.602 1.00 0.00 C ATOM 1300 O GLY A 90 5.077 -14.495 13.725 1.00 0.00 O ATOM 0 H GLY A 90 3.872 -16.397 10.091 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.299 -16.345 12.266 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.933 -16.803 12.701 1.00 0.00 H new ATOM 1304 N ARG A 91 4.319 -13.705 11.759 1.00 0.00 N ATOM 1305 CA ARG A 91 4.531 -12.307 12.114 1.00 0.00 C ATOM 1306 C ARG A 91 3.336 -11.454 11.699 1.00 0.00 C ATOM 1307 O ARG A 91 2.950 -11.437 10.531 1.00 0.00 O ATOM 1308 CB ARG A 91 5.804 -11.777 11.451 1.00 0.00 C ATOM 1309 CG ARG A 91 7.082 -12.344 12.047 1.00 0.00 C ATOM 1310 CD ARG A 91 7.607 -11.468 13.174 1.00 0.00 C ATOM 1311 NE ARG A 91 8.828 -12.009 13.765 1.00 0.00 N ATOM 1312 CZ ARG A 91 9.408 -11.503 14.847 1.00 0.00 C ATOM 1313 NH1 ARG A 91 8.881 -10.448 15.454 1.00 0.00 N ATOM 1314 NH2 ARG A 91 10.518 -12.051 15.325 1.00 0.00 N ATOM 0 H ARG A 91 3.933 -13.850 10.826 1.00 0.00 H new ATOM 0 HA ARG A 91 4.641 -12.246 13.197 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.774 -12.011 10.387 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.823 -10.691 11.538 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.894 -13.350 12.423 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.840 -12.431 11.269 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.802 -10.466 12.793 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.843 -11.373 13.945 1.00 0.00 H new ATOM 0 HE ARG A 91 9.259 -12.820 13.322 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.028 -10.023 15.090 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.329 -10.061 16.285 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.927 -12.862 14.861 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.962 -11.661 16.156 1.00 0.00 H new ATOM 1328 N GLN A 92 2.755 -10.748 12.665 1.00 0.00 N ATOM 1329 CA GLN A 92 1.604 -9.894 12.399 1.00 0.00 C ATOM 1330 C GLN A 92 2.011 -8.666 11.592 1.00 0.00 C ATOM 1331 O GLN A 92 2.648 -7.751 12.114 1.00 0.00 O ATOM 1332 CB GLN A 92 0.949 -9.462 13.712 1.00 0.00 C ATOM 1333 CG GLN A 92 -0.561 -9.311 13.619 1.00 0.00 C ATOM 1334 CD GLN A 92 -1.272 -10.641 13.463 1.00 0.00 C ATOM 1335 OE1 GLN A 92 -1.263 -11.473 14.370 1.00 0.00 O ATOM 1336 NE2 GLN A 92 -1.893 -10.848 12.308 1.00 0.00 N ATOM 0 H GLN A 92 3.063 -10.751 13.637 1.00 0.00 H new ATOM 0 HA GLN A 92 0.885 -10.468 11.814 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.186 -10.194 14.484 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.382 -8.513 14.029 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.928 -8.810 14.515 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.807 -8.670 12.772 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -1.875 -10.130 11.583 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.388 -11.725 12.145 1.00 0.00 H new ATOM 1345 N LEU A 93 1.640 -8.653 10.316 1.00 0.00 N ATOM 1346 CA LEU A 93 1.967 -7.537 9.436 1.00 0.00 C ATOM 1347 C LEU A 93 0.992 -6.381 9.636 1.00 0.00 C ATOM 1348 O LEU A 93 -0.223 -6.578 9.665 1.00 0.00 O ATOM 1349 CB LEU A 93 1.946 -7.991 7.975 1.00 0.00 C ATOM 1350 CG LEU A 93 2.573 -9.355 7.687 1.00 0.00 C ATOM 1351 CD1 LEU A 93 2.278 -9.787 6.259 1.00 0.00 C ATOM 1352 CD2 LEU A 93 4.074 -9.316 7.935 1.00 0.00 C ATOM 0 H LEU A 93 1.113 -9.403 9.868 1.00 0.00 H new ATOM 0 HA LEU A 93 2.969 -7.190 9.688 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.910 -8.011 7.637 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.463 -7.242 7.375 1.00 0.00 H new ATOM 0 HG LEU A 93 2.132 -10.086 8.365 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.732 -10.760 6.072 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.200 -9.856 6.115 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.690 -9.055 5.565 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.503 -10.296 7.725 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.531 -8.572 7.283 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.264 -9.052 8.975 1.00 0.00 H new ATOM 1364 N LYS A 94 1.531 -5.175 9.771 1.00 0.00 N ATOM 1365 CA LYS A 94 0.710 -3.986 9.965 1.00 0.00 C ATOM 1366 C LYS A 94 0.709 -3.115 8.713 1.00 0.00 C ATOM 1367 O LYS A 94 1.670 -2.393 8.447 1.00 0.00 O ATOM 1368 CB LYS A 94 1.219 -3.178 11.161 1.00 0.00 C ATOM 1369 CG LYS A 94 0.549 -3.547 12.473 1.00 0.00 C ATOM 1370 CD LYS A 94 1.067 -2.697 13.622 1.00 0.00 C ATOM 1371 CE LYS A 94 0.792 -3.351 14.967 1.00 0.00 C ATOM 1372 NZ LYS A 94 1.783 -4.418 15.277 1.00 0.00 N ATOM 0 H LYS A 94 2.535 -4.995 9.750 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.312 -4.310 10.162 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.295 -3.326 11.258 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.059 -2.117 10.967 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.529 -3.418 12.381 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.726 -4.600 12.690 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.139 -2.540 13.505 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.596 -1.715 13.591 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.816 -2.594 15.751 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.212 -3.776 14.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.562 -4.839 16.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.743 -5.153 14.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.738 -4.008 15.304 1.00 0.00 H new ATOM 1386 N VAL A 95 -0.375 -3.188 7.947 1.00 0.00 N ATOM 1387 CA VAL A 95 -0.501 -2.404 6.724 1.00 0.00 C ATOM 1388 C VAL A 95 -1.281 -1.118 6.974 1.00 0.00 C ATOM 1389 O VAL A 95 -2.338 -1.133 7.604 1.00 0.00 O ATOM 1390 CB VAL A 95 -1.200 -3.208 5.612 1.00 0.00 C ATOM 1391 CG1 VAL A 95 -1.316 -2.376 4.344 1.00 0.00 C ATOM 1392 CG2 VAL A 95 -0.453 -4.505 5.342 1.00 0.00 C ATOM 0 H VAL A 95 -1.178 -3.782 8.152 1.00 0.00 H new ATOM 0 HA VAL A 95 0.510 -2.155 6.401 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.207 -3.459 5.947 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.812 -2.961 3.569 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.898 -1.478 4.550 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.320 -2.092 4.003 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.961 -5.060 4.554 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.566 -4.279 5.028 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.428 -5.106 6.251 1.00 0.00 H new ATOM 1402 N ASP A 96 -0.753 -0.006 6.475 1.00 0.00 N ATOM 1403 CA ASP A 96 -1.400 1.290 6.642 1.00 0.00 C ATOM 1404 C ASP A 96 -1.176 2.171 5.417 1.00 0.00 C ATOM 1405 O ASP A 96 -0.114 2.130 4.795 1.00 0.00 O ATOM 1406 CB ASP A 96 -0.870 1.991 7.894 1.00 0.00 C ATOM 1407 CG ASP A 96 -1.747 3.151 8.323 1.00 0.00 C ATOM 1408 OD1 ASP A 96 -2.721 2.914 9.069 1.00 0.00 O ATOM 1409 OD2 ASP A 96 -1.460 4.295 7.914 1.00 0.00 O ATOM 0 H ASP A 96 0.122 0.024 5.951 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.471 1.122 6.755 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -0.801 1.270 8.709 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.140 2.354 7.704 1.00 0.00 H new ATOM 1414 N LEU A 97 -2.184 2.967 5.075 1.00 0.00 N ATOM 1415 CA LEU A 97 -2.098 3.858 3.923 1.00 0.00 C ATOM 1416 C LEU A 97 -0.976 4.875 4.104 1.00 0.00 C ATOM 1417 O LEU A 97 -1.120 5.848 4.844 1.00 0.00 O ATOM 1418 CB LEU A 97 -3.429 4.582 3.713 1.00 0.00 C ATOM 1419 CG LEU A 97 -3.593 5.312 2.380 1.00 0.00 C ATOM 1420 CD1 LEU A 97 -2.281 5.958 1.960 1.00 0.00 C ATOM 1421 CD2 LEU A 97 -4.086 4.355 1.304 1.00 0.00 C ATOM 0 H LEU A 97 -3.070 3.013 5.579 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.877 3.254 3.043 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.235 3.854 3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.557 5.305 4.518 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.337 6.098 2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.417 6.473 1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.969 6.675 2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.516 5.190 1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.197 4.892 0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.366 3.547 1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.049 3.940 1.600 1.00 0.00 H new ATOM 1433 N ALA A 98 0.141 4.644 3.421 1.00 0.00 N ATOM 1434 CA ALA A 98 1.286 5.543 3.503 1.00 0.00 C ATOM 1435 C ALA A 98 1.166 6.679 2.493 1.00 0.00 C ATOM 1436 O ALA A 98 0.182 6.769 1.759 1.00 0.00 O ATOM 1437 CB ALA A 98 2.579 4.772 3.282 1.00 0.00 C ATOM 0 H ALA A 98 0.277 3.842 2.805 1.00 0.00 H new ATOM 0 HA ALA A 98 1.302 5.980 4.501 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.426 5.456 3.346 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.677 4.000 4.045 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.562 4.307 2.296 1.00 0.00 H new ATOM 1443 N VAL A 99 2.174 7.545 2.461 1.00 0.00 N ATOM 1444 CA VAL A 99 2.181 8.675 1.540 1.00 0.00 C ATOM 1445 C VAL A 99 3.543 9.361 1.523 1.00 0.00 C ATOM 1446 O VAL A 99 4.127 9.634 2.572 1.00 0.00 O ATOM 1447 CB VAL A 99 1.102 9.710 1.913 1.00 0.00 C ATOM 1448 CG1 VAL A 99 1.384 10.305 3.284 1.00 0.00 C ATOM 1449 CG2 VAL A 99 1.023 10.800 0.855 1.00 0.00 C ATOM 0 H VAL A 99 2.996 7.486 3.062 1.00 0.00 H new ATOM 0 HA VAL A 99 1.965 8.277 0.549 1.00 0.00 H new ATOM 0 HB VAL A 99 0.137 9.205 1.955 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.612 11.034 3.530 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.386 9.512 4.032 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.357 10.797 3.274 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.256 11.523 1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 99 1.986 11.304 0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.770 10.355 -0.107 1.00 0.00 H new