USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 580 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 34 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 74 HIS : no HD1:sc= -4.65! C(o=-4.6!,f=-6.6!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -165:sc= -0.501 (180deg=-1.88) USER MOD Single : A 19 LYS NZ :NH3+ 146:sc= -1.07 (180deg=-2.24!) USER MOD Single : A 27 SER OG : rot 180:sc= -0.0794 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 138:sc= -1.68 (180deg=-5.96!) USER MOD Single : A 39 TYR OH : rot -148:sc= 1.17 USER MOD Single : A 52 ASN : amide:sc= -5.07 K(o=-5.1,f=-8.3!) USER MOD Single : A 55 MET CE :methyl 158:sc= -1.58 (180deg=-3.55!) USER MOD Single : A 60 GLN : amide:sc= -3.9! C(o=-3.9!,f=-4.6!) USER MOD Single : A 65 ASN : amide:sc= -2.85! C(o=-2.9!,f=-7.3!) USER MOD Single : A 72 MET CE :methyl -151:sc= -2.67 (180deg=-6.48!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 148 N PHE A 13 9.326 -3.953 -3.510 1.00 0.00 N ATOM 149 CA PHE A 13 9.775 -3.265 -2.305 1.00 0.00 C ATOM 150 C PHE A 13 8.586 -2.788 -1.476 1.00 0.00 C ATOM 151 O PHE A 13 7.465 -2.687 -1.976 1.00 0.00 O ATOM 152 CB PHE A 13 10.665 -2.076 -2.672 1.00 0.00 C ATOM 153 CG PHE A 13 9.904 -0.905 -3.224 1.00 0.00 C ATOM 154 CD1 PHE A 13 9.669 -0.794 -4.585 1.00 0.00 C ATOM 155 CD2 PHE A 13 9.424 0.085 -2.382 1.00 0.00 C ATOM 156 CE1 PHE A 13 8.968 0.282 -5.096 1.00 0.00 C ATOM 157 CE2 PHE A 13 8.722 1.163 -2.887 1.00 0.00 C ATOM 158 CZ PHE A 13 8.495 1.262 -4.246 1.00 0.00 C ATOM 0 HA PHE A 13 10.352 -3.971 -1.708 1.00 0.00 H new ATOM 0 HB2 PHE A 13 11.215 -1.757 -1.786 1.00 0.00 H new ATOM 0 HB3 PHE A 13 11.403 -2.398 -3.406 1.00 0.00 H new ATOM 0 HD1 PHE A 13 10.038 -1.557 -5.254 1.00 0.00 H new ATOM 0 HD2 PHE A 13 9.600 0.013 -1.319 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.790 0.356 -6.159 1.00 0.00 H new ATOM 0 HE2 PHE A 13 8.351 1.927 -2.220 1.00 0.00 H new ATOM 0 HZ PHE A 13 7.948 2.105 -4.643 1.00 0.00 H new ATOM 168 N THR A 14 8.839 -2.496 -0.204 1.00 0.00 N ATOM 169 CA THR A 14 7.791 -2.031 0.696 1.00 0.00 C ATOM 170 C THR A 14 7.898 -0.530 0.936 1.00 0.00 C ATOM 171 O THR A 14 8.965 0.061 0.770 1.00 0.00 O ATOM 172 CB THR A 14 7.849 -2.762 2.051 1.00 0.00 C ATOM 173 OG1 THR A 14 9.139 -2.587 2.647 1.00 0.00 O ATOM 174 CG2 THR A 14 7.561 -4.245 1.879 1.00 0.00 C ATOM 0 H THR A 14 9.761 -2.573 0.226 1.00 0.00 H new ATOM 0 HA THR A 14 6.839 -2.252 0.213 1.00 0.00 H new ATOM 0 HB THR A 14 7.087 -2.334 2.703 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.167 -3.053 3.509 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.608 -4.740 2.849 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.566 -4.375 1.453 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.302 -4.685 1.212 1.00 0.00 H new ATOM 182 N VAL A 15 6.786 0.083 1.330 1.00 0.00 N ATOM 183 CA VAL A 15 6.756 1.516 1.595 1.00 0.00 C ATOM 184 C VAL A 15 6.491 1.797 3.069 1.00 0.00 C ATOM 185 O VAL A 15 5.722 1.088 3.719 1.00 0.00 O ATOM 186 CB VAL A 15 5.679 2.221 0.748 1.00 0.00 C ATOM 187 CG1 VAL A 15 5.726 3.725 0.968 1.00 0.00 C ATOM 188 CG2 VAL A 15 5.855 1.884 -0.725 1.00 0.00 C ATOM 0 H VAL A 15 5.894 -0.391 1.473 1.00 0.00 H new ATOM 0 HA VAL A 15 7.736 1.908 1.324 1.00 0.00 H new ATOM 0 HB VAL A 15 4.700 1.862 1.065 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.958 4.206 0.362 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.547 3.945 2.021 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.706 4.104 0.680 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.086 2.390 -1.308 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.839 2.213 -1.058 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.766 0.807 -0.865 1.00 0.00 H new ATOM 198 N ASP A 16 7.133 2.836 3.592 1.00 0.00 N ATOM 199 CA ASP A 16 6.966 3.213 4.991 1.00 0.00 C ATOM 200 C ASP A 16 6.795 4.722 5.131 1.00 0.00 C ATOM 201 O ASP A 16 7.733 5.486 4.905 1.00 0.00 O ATOM 202 CB ASP A 16 8.167 2.744 5.814 1.00 0.00 C ATOM 203 CG ASP A 16 8.001 3.028 7.294 1.00 0.00 C ATOM 204 OD1 ASP A 16 7.139 2.383 7.928 1.00 0.00 O ATOM 205 OD2 ASP A 16 8.732 3.894 7.819 1.00 0.00 O ATOM 0 H ASP A 16 7.774 3.432 3.068 1.00 0.00 H new ATOM 0 HA ASP A 16 6.066 2.728 5.368 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.309 1.673 5.666 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.068 3.238 5.451 1.00 0.00 H new ATOM 210 N MET A 17 5.592 5.144 5.505 1.00 0.00 N ATOM 211 CA MET A 17 5.298 6.562 5.675 1.00 0.00 C ATOM 212 C MET A 17 4.312 6.780 6.818 1.00 0.00 C ATOM 213 O MET A 17 3.851 5.825 7.442 1.00 0.00 O ATOM 214 CB MET A 17 4.733 7.147 4.379 1.00 0.00 C ATOM 215 CG MET A 17 5.197 6.416 3.130 1.00 0.00 C ATOM 216 SD MET A 17 4.632 7.209 1.612 1.00 0.00 S ATOM 217 CE MET A 17 2.872 7.323 1.923 1.00 0.00 C ATOM 0 H MET A 17 4.805 4.524 5.696 1.00 0.00 H new ATOM 0 HA MET A 17 6.229 7.073 5.920 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.644 7.120 4.422 1.00 0.00 H new ATOM 0 HB3 MET A 17 5.024 8.195 4.306 1.00 0.00 H new ATOM 0 HG2 MET A 17 6.286 6.366 3.126 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.831 5.390 3.157 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.351 7.540 0.990 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.512 6.377 2.329 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.680 8.122 2.640 1.00 0.00 H new ATOM 227 N GLU A 18 3.993 8.043 7.086 1.00 0.00 N ATOM 228 CA GLU A 18 3.062 8.384 8.156 1.00 0.00 C ATOM 229 C GLU A 18 1.959 9.306 7.643 1.00 0.00 C ATOM 230 O GLU A 18 1.994 9.758 6.498 1.00 0.00 O ATOM 231 CB GLU A 18 3.804 9.054 9.314 1.00 0.00 C ATOM 232 CG GLU A 18 4.265 8.081 10.386 1.00 0.00 C ATOM 233 CD GLU A 18 5.482 8.578 11.142 1.00 0.00 C ATOM 234 OE1 GLU A 18 5.522 9.781 11.473 1.00 0.00 O ATOM 235 OE2 GLU A 18 6.393 7.765 11.401 1.00 0.00 O ATOM 0 H GLU A 18 4.365 8.845 6.578 1.00 0.00 H new ATOM 0 HA GLU A 18 2.605 7.461 8.513 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.671 9.585 8.920 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.152 9.800 9.769 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.450 7.909 11.090 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.496 7.121 9.925 1.00 0.00 H new ATOM 242 N LYS A 19 0.980 9.580 8.498 1.00 0.00 N ATOM 243 CA LYS A 19 -0.134 10.448 8.135 1.00 0.00 C ATOM 244 C LYS A 19 0.235 11.916 8.328 1.00 0.00 C ATOM 245 O LYS A 19 1.038 12.255 9.195 1.00 0.00 O ATOM 246 CB LYS A 19 -1.368 10.106 8.973 1.00 0.00 C ATOM 247 CG LYS A 19 -2.681 10.434 8.283 1.00 0.00 C ATOM 248 CD LYS A 19 -3.800 9.521 8.753 1.00 0.00 C ATOM 249 CE LYS A 19 -3.796 8.200 7.998 1.00 0.00 C ATOM 250 NZ LYS A 19 -5.147 7.575 7.966 1.00 0.00 N ATOM 0 H LYS A 19 0.935 9.213 9.449 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.362 10.284 7.082 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.350 9.043 9.215 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.318 10.649 9.917 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.949 11.472 8.482 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.560 10.338 7.204 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.692 9.331 9.821 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.760 10.018 8.613 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.448 8.366 6.978 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.090 7.515 8.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.276 7.072 7.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.237 6.902 8.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.873 8.314 8.057 1.00 0.00 H new ATOM 330 N GLY A 25 -1.220 11.874 2.400 1.00 0.00 N ATOM 331 CA GLY A 25 -0.921 12.729 1.266 1.00 0.00 C ATOM 332 C GLY A 25 -0.745 11.946 -0.020 1.00 0.00 C ATOM 333 O GLY A 25 0.104 12.280 -0.847 1.00 0.00 O ATOM 0 HA2 GLY A 25 -1.725 13.454 1.139 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.012 13.294 1.471 1.00 0.00 H new ATOM 337 N PHE A 26 -1.547 10.899 -0.188 1.00 0.00 N ATOM 338 CA PHE A 26 -1.473 10.064 -1.382 1.00 0.00 C ATOM 339 C PHE A 26 -2.824 9.419 -1.678 1.00 0.00 C ATOM 340 O PHE A 26 -3.556 9.039 -0.764 1.00 0.00 O ATOM 341 CB PHE A 26 -0.406 8.982 -1.208 1.00 0.00 C ATOM 342 CG PHE A 26 -0.926 7.723 -0.577 1.00 0.00 C ATOM 343 CD1 PHE A 26 -1.848 6.929 -1.241 1.00 0.00 C ATOM 344 CD2 PHE A 26 -0.493 7.332 0.680 1.00 0.00 C ATOM 345 CE1 PHE A 26 -2.328 5.770 -0.662 1.00 0.00 C ATOM 346 CE2 PHE A 26 -0.970 6.173 1.263 1.00 0.00 C ATOM 347 CZ PHE A 26 -1.888 5.391 0.591 1.00 0.00 C ATOM 0 H PHE A 26 -2.255 10.609 0.487 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.201 10.700 -2.224 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.019 8.742 -2.183 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.405 9.378 -0.596 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.195 7.220 -2.222 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.225 7.940 1.210 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.047 5.161 -1.189 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.625 5.879 2.243 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.261 4.485 1.044 1.00 0.00 H new ATOM 357 N SER A 27 -3.148 9.301 -2.961 1.00 0.00 N ATOM 358 CA SER A 27 -4.412 8.706 -3.379 1.00 0.00 C ATOM 359 C SER A 27 -4.175 7.412 -4.152 1.00 0.00 C ATOM 360 O SER A 27 -3.037 7.069 -4.475 1.00 0.00 O ATOM 361 CB SER A 27 -5.203 9.691 -4.242 1.00 0.00 C ATOM 362 OG SER A 27 -6.529 9.236 -4.450 1.00 0.00 O ATOM 0 H SER A 27 -2.553 9.610 -3.730 1.00 0.00 H new ATOM 0 HA SER A 27 -4.989 8.473 -2.484 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.222 10.668 -3.759 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.704 9.819 -5.203 1.00 0.00 H new ATOM 0 HG SER A 27 -7.014 9.884 -5.003 1.00 0.00 H new ATOM 368 N ILE A 28 -5.256 6.698 -4.444 1.00 0.00 N ATOM 369 CA ILE A 28 -5.167 5.443 -5.180 1.00 0.00 C ATOM 370 C ILE A 28 -6.252 5.352 -6.247 1.00 0.00 C ATOM 371 O ILE A 28 -7.167 6.175 -6.288 1.00 0.00 O ATOM 372 CB ILE A 28 -5.285 4.229 -4.239 1.00 0.00 C ATOM 373 CG1 ILE A 28 -6.065 4.608 -2.978 1.00 0.00 C ATOM 374 CG2 ILE A 28 -3.905 3.703 -3.877 1.00 0.00 C ATOM 375 CD1 ILE A 28 -6.640 3.418 -2.243 1.00 0.00 C ATOM 0 H ILE A 28 -6.204 6.967 -4.182 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.188 5.428 -5.659 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.829 3.438 -4.756 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.407 5.157 -2.305 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.876 5.283 -3.251 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.005 2.845 -3.212 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.382 3.399 -4.784 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.337 4.487 -3.376 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.179 3.761 -1.360 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.324 2.880 -2.900 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.832 2.753 -1.938 1.00 0.00 H new ATOM 387 N ARG A 29 -6.145 4.346 -7.109 1.00 0.00 N ATOM 388 CA ARG A 29 -7.118 4.147 -8.176 1.00 0.00 C ATOM 389 C ARG A 29 -7.224 2.671 -8.547 1.00 0.00 C ATOM 390 O ARG A 29 -6.421 1.850 -8.106 1.00 0.00 O ATOM 391 CB ARG A 29 -6.729 4.967 -9.408 1.00 0.00 C ATOM 392 CG ARG A 29 -5.583 4.364 -10.204 1.00 0.00 C ATOM 393 CD ARG A 29 -5.630 4.795 -11.662 1.00 0.00 C ATOM 394 NE ARG A 29 -5.104 6.144 -11.851 1.00 0.00 N ATOM 395 CZ ARG A 29 -5.408 6.912 -12.891 1.00 0.00 C ATOM 396 NH1 ARG A 29 -6.230 6.467 -13.830 1.00 0.00 N ATOM 397 NH2 ARG A 29 -4.889 8.129 -12.992 1.00 0.00 N ATOM 0 H ARG A 29 -5.394 3.656 -7.089 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.090 4.484 -7.815 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.599 5.066 -10.057 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.451 5.972 -9.092 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.633 4.668 -9.764 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.629 3.277 -10.143 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.054 4.094 -12.266 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.659 4.754 -12.019 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.468 6.517 -11.146 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.631 5.532 -13.755 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.462 7.059 -14.628 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.256 8.475 -12.271 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.123 8.718 -13.791 1.00 0.00 H new ATOM 411 N GLY A 30 -8.222 2.341 -9.361 1.00 0.00 N ATOM 412 CA GLY A 30 -8.416 0.964 -9.777 1.00 0.00 C ATOM 413 C GLY A 30 -8.973 0.096 -8.666 1.00 0.00 C ATOM 414 O GLY A 30 -9.363 0.598 -7.612 1.00 0.00 O ATOM 0 H GLY A 30 -8.900 3.003 -9.740 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.095 0.937 -10.630 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.465 0.552 -10.114 1.00 0.00 H new ATOM 418 N GLY A 31 -9.013 -1.212 -8.902 1.00 0.00 N ATOM 419 CA GLY A 31 -9.530 -2.130 -7.905 1.00 0.00 C ATOM 420 C GLY A 31 -10.546 -3.098 -8.479 1.00 0.00 C ATOM 421 O GLY A 31 -10.963 -2.961 -9.629 1.00 0.00 O ATOM 0 H GLY A 31 -8.696 -1.652 -9.766 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.704 -2.692 -7.469 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.990 -1.562 -7.097 1.00 0.00 H new ATOM 425 N ARG A 32 -10.944 -4.081 -7.677 1.00 0.00 N ATOM 426 CA ARG A 32 -11.915 -5.077 -8.114 1.00 0.00 C ATOM 427 C ARG A 32 -13.149 -4.408 -8.711 1.00 0.00 C ATOM 428 O ARG A 32 -13.832 -4.986 -9.556 1.00 0.00 O ATOM 429 CB ARG A 32 -12.322 -5.971 -6.941 1.00 0.00 C ATOM 430 CG ARG A 32 -11.446 -7.202 -6.780 1.00 0.00 C ATOM 431 CD ARG A 32 -11.606 -8.156 -7.954 1.00 0.00 C ATOM 432 NE ARG A 32 -10.891 -9.412 -7.739 1.00 0.00 N ATOM 433 CZ ARG A 32 -11.182 -10.541 -8.375 1.00 0.00 C ATOM 434 NH1 ARG A 32 -12.168 -10.572 -9.261 1.00 0.00 N ATOM 435 NH2 ARG A 32 -10.486 -11.643 -8.126 1.00 0.00 N ATOM 0 H ARG A 32 -10.609 -4.209 -6.722 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.448 -5.690 -8.885 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.286 -5.387 -6.021 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.356 -6.287 -7.078 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.402 -6.899 -6.695 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.705 -7.716 -5.854 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.664 -8.364 -8.111 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.237 -7.679 -8.862 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.127 -9.422 -7.064 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.705 -9.727 -9.456 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.389 -11.441 -9.748 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.726 -11.624 -7.445 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.711 -12.509 -8.615 1.00 0.00 H new ATOM 449 N GLU A 33 -13.429 -3.188 -8.264 1.00 0.00 N ATOM 450 CA GLU A 33 -14.582 -2.442 -8.754 1.00 0.00 C ATOM 451 C GLU A 33 -14.456 -2.165 -10.249 1.00 0.00 C ATOM 452 O GLU A 33 -15.454 -2.117 -10.969 1.00 0.00 O ATOM 453 CB GLU A 33 -14.726 -1.123 -7.991 1.00 0.00 C ATOM 454 CG GLU A 33 -16.153 -0.603 -7.939 1.00 0.00 C ATOM 455 CD GLU A 33 -16.219 0.909 -7.846 1.00 0.00 C ATOM 456 OE1 GLU A 33 -16.192 1.435 -6.713 1.00 0.00 O ATOM 457 OE2 GLU A 33 -16.298 1.567 -8.904 1.00 0.00 O ATOM 0 H GLU A 33 -12.874 -2.696 -7.564 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.472 -3.049 -8.588 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -14.361 -1.260 -6.973 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.091 -0.371 -8.459 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.689 -0.932 -8.829 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -16.664 -1.039 -7.080 1.00 0.00 H new ATOM 464 N TYR A 34 -13.224 -1.983 -10.709 1.00 0.00 N ATOM 465 CA TYR A 34 -12.966 -1.709 -12.118 1.00 0.00 C ATOM 466 C TYR A 34 -12.184 -2.849 -12.761 1.00 0.00 C ATOM 467 O TYR A 34 -11.677 -2.719 -13.876 1.00 0.00 O ATOM 468 CB TYR A 34 -12.195 -0.396 -12.271 1.00 0.00 C ATOM 469 CG TYR A 34 -12.627 0.677 -11.297 1.00 0.00 C ATOM 470 CD1 TYR A 34 -13.780 1.421 -11.520 1.00 0.00 C ATOM 471 CD2 TYR A 34 -11.883 0.947 -10.155 1.00 0.00 C ATOM 472 CE1 TYR A 34 -14.178 2.403 -10.634 1.00 0.00 C ATOM 473 CE2 TYR A 34 -12.275 1.926 -9.263 1.00 0.00 C ATOM 474 CZ TYR A 34 -13.423 2.651 -9.507 1.00 0.00 C ATOM 475 OH TYR A 34 -13.815 3.629 -8.621 1.00 0.00 O ATOM 0 H TYR A 34 -12.387 -2.020 -10.127 1.00 0.00 H new ATOM 0 HA TYR A 34 -13.926 -1.620 -12.626 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.131 -0.591 -12.135 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.324 -0.025 -13.288 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.374 1.228 -12.401 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.983 0.382 -9.962 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.075 2.973 -10.823 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.686 2.123 -8.379 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.175 3.675 -7.881 1.00 0.00 H new ATOM 485 N LYS A 35 -12.091 -3.968 -12.051 1.00 0.00 N ATOM 486 CA LYS A 35 -11.372 -5.135 -12.551 1.00 0.00 C ATOM 487 C LYS A 35 -9.942 -4.769 -12.935 1.00 0.00 C ATOM 488 O LYS A 35 -9.503 -5.035 -14.054 1.00 0.00 O ATOM 489 CB LYS A 35 -12.100 -5.728 -13.759 1.00 0.00 C ATOM 490 CG LYS A 35 -13.510 -6.201 -13.448 1.00 0.00 C ATOM 491 CD LYS A 35 -14.529 -5.094 -13.659 1.00 0.00 C ATOM 492 CE LYS A 35 -15.952 -5.619 -13.551 1.00 0.00 C ATOM 493 NZ LYS A 35 -16.375 -6.336 -14.785 1.00 0.00 N ATOM 0 H LYS A 35 -12.505 -4.092 -11.127 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.337 -5.878 -11.755 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.143 -4.979 -14.550 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.521 -6.567 -14.145 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.758 -7.051 -14.084 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -13.559 -6.550 -12.416 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.373 -4.308 -12.920 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.380 -4.643 -14.640 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -16.027 -6.292 -12.697 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.632 -4.788 -13.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -17.350 -6.678 -14.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -16.328 -5.687 -15.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -15.742 -7.144 -14.951 1.00 0.00 H new ATOM 507 N MET A 36 -9.220 -4.161 -12.000 1.00 0.00 N ATOM 508 CA MET A 36 -7.838 -3.762 -12.241 1.00 0.00 C ATOM 509 C MET A 36 -7.079 -3.611 -10.926 1.00 0.00 C ATOM 510 O MET A 36 -7.683 -3.510 -9.858 1.00 0.00 O ATOM 511 CB MET A 36 -7.793 -2.449 -13.024 1.00 0.00 C ATOM 512 CG MET A 36 -8.481 -1.294 -12.314 1.00 0.00 C ATOM 513 SD MET A 36 -8.982 0.017 -13.445 1.00 0.00 S ATOM 514 CE MET A 36 -7.930 1.359 -12.895 1.00 0.00 C ATOM 0 H MET A 36 -9.568 -3.934 -11.069 1.00 0.00 H new ATOM 0 HA MET A 36 -7.357 -4.543 -12.830 1.00 0.00 H new ATOM 0 HB2 MET A 36 -6.753 -2.182 -13.211 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.263 -2.599 -13.996 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.358 -1.668 -11.786 1.00 0.00 H new ATOM 0 HG3 MET A 36 -7.808 -0.882 -11.562 1.00 0.00 H new ATOM 0 HE1 MET A 36 -7.533 1.889 -13.761 1.00 0.00 H new ATOM 0 HE2 MET A 36 -8.510 2.049 -12.282 1.00 0.00 H new ATOM 0 HE3 MET A 36 -7.105 0.957 -12.307 1.00 0.00 H new ATOM 524 N ASP A 37 -5.753 -3.597 -11.012 1.00 0.00 N ATOM 525 CA ASP A 37 -4.912 -3.457 -9.829 1.00 0.00 C ATOM 526 C ASP A 37 -5.070 -2.071 -9.211 1.00 0.00 C ATOM 527 O ASP A 37 -5.699 -1.187 -9.794 1.00 0.00 O ATOM 528 CB ASP A 37 -3.446 -3.705 -10.188 1.00 0.00 C ATOM 529 CG ASP A 37 -3.285 -4.748 -11.275 1.00 0.00 C ATOM 530 OD1 ASP A 37 -3.723 -5.899 -11.064 1.00 0.00 O ATOM 531 OD2 ASP A 37 -2.721 -4.415 -12.338 1.00 0.00 O ATOM 0 H ASP A 37 -5.238 -3.681 -11.888 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.230 -4.200 -9.097 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.992 -2.770 -10.516 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.906 -4.026 -9.297 1.00 0.00 H new ATOM 536 N LEU A 38 -4.497 -1.889 -8.027 1.00 0.00 N ATOM 537 CA LEU A 38 -4.574 -0.611 -7.327 1.00 0.00 C ATOM 538 C LEU A 38 -3.314 0.216 -7.562 1.00 0.00 C ATOM 539 O LEU A 38 -2.214 -0.190 -7.185 1.00 0.00 O ATOM 540 CB LEU A 38 -4.777 -0.838 -5.829 1.00 0.00 C ATOM 541 CG LEU A 38 -6.129 -1.423 -5.415 1.00 0.00 C ATOM 542 CD1 LEU A 38 -5.979 -2.286 -4.173 1.00 0.00 C ATOM 543 CD2 LEU A 38 -7.139 -0.311 -5.176 1.00 0.00 C ATOM 0 H LEU A 38 -3.974 -2.610 -7.531 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.427 -0.060 -7.723 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.991 -1.504 -5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.644 0.115 -5.316 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.496 -2.052 -6.226 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.951 -2.693 -3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.288 -3.104 -4.379 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.590 -1.681 -3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.095 -0.745 -4.882 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.778 0.344 -4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.268 0.266 -6.092 1.00 0.00 H new ATOM 555 N TYR A 39 -3.482 1.377 -8.185 1.00 0.00 N ATOM 556 CA TYR A 39 -2.358 2.261 -8.470 1.00 0.00 C ATOM 557 C TYR A 39 -2.540 3.612 -7.785 1.00 0.00 C ATOM 558 O TYR A 39 -3.640 3.961 -7.357 1.00 0.00 O ATOM 559 CB TYR A 39 -2.206 2.457 -9.979 1.00 0.00 C ATOM 560 CG TYR A 39 -2.558 1.229 -10.788 1.00 0.00 C ATOM 561 CD1 TYR A 39 -3.883 0.852 -10.973 1.00 0.00 C ATOM 562 CD2 TYR A 39 -1.567 0.446 -11.366 1.00 0.00 C ATOM 563 CE1 TYR A 39 -4.210 -0.269 -11.711 1.00 0.00 C ATOM 564 CE2 TYR A 39 -1.885 -0.676 -12.106 1.00 0.00 C ATOM 565 CZ TYR A 39 -3.207 -1.030 -12.276 1.00 0.00 C ATOM 566 OH TYR A 39 -3.528 -2.148 -13.011 1.00 0.00 O ATOM 0 H TYR A 39 -4.386 1.728 -8.502 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.454 1.795 -8.079 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.841 3.284 -10.295 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.177 2.743 -10.198 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.670 1.446 -10.532 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.530 0.719 -11.235 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.245 -0.548 -11.845 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.102 -1.273 -12.549 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.824 -2.822 -12.906 1.00 0.00 H new ATOM 576 N VAL A 40 -1.452 4.370 -7.686 1.00 0.00 N ATOM 577 CA VAL A 40 -1.490 5.684 -7.056 1.00 0.00 C ATOM 578 C VAL A 40 -2.066 6.731 -8.003 1.00 0.00 C ATOM 579 O VAL A 40 -1.448 7.081 -9.010 1.00 0.00 O ATOM 580 CB VAL A 40 -0.087 6.131 -6.606 1.00 0.00 C ATOM 581 CG1 VAL A 40 -0.148 7.506 -5.956 1.00 0.00 C ATOM 582 CG2 VAL A 40 0.518 5.109 -5.655 1.00 0.00 C ATOM 0 H VAL A 40 -0.533 4.096 -8.034 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.134 5.597 -6.181 1.00 0.00 H new ATOM 0 HB VAL A 40 0.554 6.199 -7.485 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.853 7.806 -5.644 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.537 8.230 -6.672 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.803 7.468 -5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.510 5.441 -5.347 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.120 5.007 -4.777 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.598 4.146 -6.159 1.00 0.00 H new ATOM 592 N LEU A 41 -3.253 7.228 -7.675 1.00 0.00 N ATOM 593 CA LEU A 41 -3.914 8.237 -8.496 1.00 0.00 C ATOM 594 C LEU A 41 -3.070 9.505 -8.584 1.00 0.00 C ATOM 595 O LEU A 41 -2.706 9.946 -9.674 1.00 0.00 O ATOM 596 CB LEU A 41 -5.293 8.567 -7.922 1.00 0.00 C ATOM 597 CG LEU A 41 -6.244 9.320 -8.852 1.00 0.00 C ATOM 598 CD1 LEU A 41 -5.723 10.723 -9.127 1.00 0.00 C ATOM 599 CD2 LEU A 41 -6.434 8.556 -10.154 1.00 0.00 C ATOM 0 H LEU A 41 -3.778 6.949 -6.846 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.034 7.831 -9.501 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.772 7.635 -7.622 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.156 9.160 -7.018 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.212 9.404 -8.358 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.413 11.244 -9.791 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.640 11.271 -8.188 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.743 10.661 -9.599 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.114 9.107 -10.803 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.471 8.440 -10.652 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.853 7.573 -9.941 1.00 0.00 H new ATOM 611 N ARG A 42 -2.762 10.086 -7.429 1.00 0.00 N ATOM 612 CA ARG A 42 -1.961 11.302 -7.375 1.00 0.00 C ATOM 613 C ARG A 42 -1.319 11.471 -6.001 1.00 0.00 C ATOM 614 O ARG A 42 -1.874 11.043 -4.988 1.00 0.00 O ATOM 615 CB ARG A 42 -2.825 12.523 -7.699 1.00 0.00 C ATOM 616 CG ARG A 42 -2.368 13.794 -7.003 1.00 0.00 C ATOM 617 CD ARG A 42 -2.992 13.928 -5.622 1.00 0.00 C ATOM 618 NE ARG A 42 -4.411 14.266 -5.693 1.00 0.00 N ATOM 619 CZ ARG A 42 -4.866 15.445 -6.101 1.00 0.00 C ATOM 620 NH1 ARG A 42 -4.019 16.394 -6.474 1.00 0.00 N ATOM 621 NH2 ARG A 42 -6.172 15.676 -6.138 1.00 0.00 N ATOM 0 H ARG A 42 -3.055 9.734 -6.518 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.169 11.217 -8.119 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.819 12.686 -8.777 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.856 12.314 -7.415 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.282 13.791 -6.914 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.636 14.659 -7.610 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.869 12.992 -5.076 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.464 14.697 -5.059 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.090 13.558 -5.414 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.014 16.220 -6.448 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.372 17.298 -6.787 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.827 14.948 -5.853 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.521 16.582 -6.451 1.00 0.00 H new ATOM 635 N LEU A 43 -0.147 12.096 -5.974 1.00 0.00 N ATOM 636 CA LEU A 43 0.571 12.320 -4.724 1.00 0.00 C ATOM 637 C LEU A 43 0.372 13.750 -4.231 1.00 0.00 C ATOM 638 O LEU A 43 0.171 14.669 -5.025 1.00 0.00 O ATOM 639 CB LEU A 43 2.063 12.037 -4.912 1.00 0.00 C ATOM 640 CG LEU A 43 2.523 10.616 -4.580 1.00 0.00 C ATOM 641 CD1 LEU A 43 4.019 10.472 -4.811 1.00 0.00 C ATOM 642 CD2 LEU A 43 2.167 10.262 -3.144 1.00 0.00 C ATOM 0 H LEU A 43 0.326 12.456 -6.803 1.00 0.00 H new ATOM 0 HA LEU A 43 0.169 11.637 -3.975 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.325 12.250 -5.948 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.626 12.734 -4.291 1.00 0.00 H new ATOM 0 HG LEU A 43 2.005 9.923 -5.243 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.328 9.455 -4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.248 10.683 -5.856 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.555 11.175 -4.173 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.502 9.248 -2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.657 10.960 -2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.087 10.324 -3.011 1.00 0.00 H new ATOM 654 N ALA A 44 0.432 13.931 -2.916 1.00 0.00 N ATOM 655 CA ALA A 44 0.263 15.249 -2.317 1.00 0.00 C ATOM 656 C ALA A 44 1.587 16.004 -2.267 1.00 0.00 C ATOM 657 O ALA A 44 2.528 15.579 -1.597 1.00 0.00 O ATOM 658 CB ALA A 44 -0.328 15.123 -0.921 1.00 0.00 C ATOM 0 H ALA A 44 0.597 13.181 -2.245 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.426 15.818 -2.941 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.449 16.115 -0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.299 14.632 -0.980 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.340 14.531 -0.295 1.00 0.00 H new ATOM 664 N GLU A 45 1.652 17.123 -2.981 1.00 0.00 N ATOM 665 CA GLU A 45 2.863 17.935 -3.018 1.00 0.00 C ATOM 666 C GLU A 45 3.192 18.485 -1.633 1.00 0.00 C ATOM 667 O GLU A 45 4.340 18.827 -1.346 1.00 0.00 O ATOM 668 CB GLU A 45 2.701 19.088 -4.011 1.00 0.00 C ATOM 669 CG GLU A 45 1.544 20.016 -3.682 1.00 0.00 C ATOM 670 CD GLU A 45 1.438 21.181 -4.647 1.00 0.00 C ATOM 671 OE1 GLU A 45 2.459 21.870 -4.859 1.00 0.00 O ATOM 672 OE2 GLU A 45 0.336 21.405 -5.189 1.00 0.00 O ATOM 0 H GLU A 45 0.882 17.488 -3.541 1.00 0.00 H new ATOM 0 HA GLU A 45 3.686 17.299 -3.342 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.624 19.667 -4.036 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.554 18.678 -5.010 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.613 19.450 -3.698 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.667 20.398 -2.669 1.00 0.00 H new ATOM 679 N ASP A 46 2.178 18.567 -0.780 1.00 0.00 N ATOM 680 CA ASP A 46 2.358 19.074 0.576 1.00 0.00 C ATOM 681 C ASP A 46 2.136 17.969 1.604 1.00 0.00 C ATOM 682 O ASP A 46 1.956 18.239 2.791 1.00 0.00 O ATOM 683 CB ASP A 46 1.398 20.235 0.840 1.00 0.00 C ATOM 684 CG ASP A 46 1.808 21.063 2.043 1.00 0.00 C ATOM 685 OD1 ASP A 46 3.007 21.047 2.394 1.00 0.00 O ATOM 686 OD2 ASP A 46 0.930 21.727 2.632 1.00 0.00 O ATOM 0 H ASP A 46 1.222 18.289 -1.003 1.00 0.00 H new ATOM 0 HA ASP A 46 3.383 19.432 0.671 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.356 20.875 -0.041 1.00 0.00 H new ATOM 0 HB3 ASP A 46 0.393 19.843 0.998 1.00 0.00 H new ATOM 691 N GLY A 47 2.148 16.724 1.139 1.00 0.00 N ATOM 692 CA GLY A 47 1.945 15.597 2.030 1.00 0.00 C ATOM 693 C GLY A 47 3.238 14.875 2.355 1.00 0.00 C ATOM 694 O GLY A 47 4.270 15.087 1.718 1.00 0.00 O ATOM 0 H GLY A 47 2.295 16.476 0.161 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.485 15.947 2.954 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.247 14.897 1.572 1.00 0.00 H new ATOM 698 N PRO A 48 3.192 13.998 3.370 1.00 0.00 N ATOM 699 CA PRO A 48 4.360 13.226 3.802 1.00 0.00 C ATOM 700 C PRO A 48 4.767 12.170 2.780 1.00 0.00 C ATOM 701 O PRO A 48 5.939 11.810 2.678 1.00 0.00 O ATOM 702 CB PRO A 48 3.886 12.561 5.097 1.00 0.00 C ATOM 703 CG PRO A 48 2.405 12.482 4.963 1.00 0.00 C ATOM 704 CD PRO A 48 1.995 13.695 4.173 1.00 0.00 C ATOM 0 HA PRO A 48 5.241 13.855 3.927 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.326 11.571 5.217 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.174 13.146 5.971 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.108 11.566 4.453 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.925 12.473 5.941 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.129 13.491 3.543 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.726 14.527 4.824 1.00 0.00 H new ATOM 712 N ALA A 49 3.791 11.677 2.024 1.00 0.00 N ATOM 713 CA ALA A 49 4.048 10.664 1.008 1.00 0.00 C ATOM 714 C ALA A 49 5.065 11.159 -0.015 1.00 0.00 C ATOM 715 O ALA A 49 6.136 10.572 -0.173 1.00 0.00 O ATOM 716 CB ALA A 49 2.752 10.268 0.317 1.00 0.00 C ATOM 0 H ALA A 49 2.815 11.963 2.096 1.00 0.00 H new ATOM 0 HA ALA A 49 4.466 9.787 1.502 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.959 9.511 -0.439 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.056 9.865 1.053 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.311 11.144 -0.158 1.00 0.00 H new ATOM 722 N ILE A 50 4.724 12.241 -0.707 1.00 0.00 N ATOM 723 CA ILE A 50 5.608 12.813 -1.714 1.00 0.00 C ATOM 724 C ILE A 50 6.994 13.083 -1.139 1.00 0.00 C ATOM 725 O ILE A 50 7.960 13.268 -1.880 1.00 0.00 O ATOM 726 CB ILE A 50 5.037 14.125 -2.284 1.00 0.00 C ATOM 727 CG1 ILE A 50 5.530 14.342 -3.716 1.00 0.00 C ATOM 728 CG2 ILE A 50 5.427 15.301 -1.400 1.00 0.00 C ATOM 729 CD1 ILE A 50 4.649 15.268 -4.525 1.00 0.00 C ATOM 0 H ILE A 50 3.842 12.739 -0.588 1.00 0.00 H new ATOM 0 HA ILE A 50 5.687 12.081 -2.518 1.00 0.00 H new ATOM 0 HB ILE A 50 3.950 14.053 -2.301 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.540 14.750 -3.686 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.590 13.378 -4.221 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.016 16.221 -1.816 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.031 15.148 -0.396 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.513 15.377 -1.354 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.059 15.375 -5.529 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.643 14.852 -4.586 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.609 16.245 -4.043 1.00 0.00 H new ATOM 741 N ARG A 51 7.086 13.102 0.187 1.00 0.00 N ATOM 742 CA ARG A 51 8.354 13.348 0.862 1.00 0.00 C ATOM 743 C ARG A 51 9.101 12.041 1.110 1.00 0.00 C ATOM 744 O ARG A 51 10.328 12.021 1.190 1.00 0.00 O ATOM 745 CB ARG A 51 8.118 14.072 2.189 1.00 0.00 C ATOM 746 CG ARG A 51 7.760 15.540 2.026 1.00 0.00 C ATOM 747 CD ARG A 51 7.292 16.148 3.339 1.00 0.00 C ATOM 748 NE ARG A 51 8.406 16.648 4.139 1.00 0.00 N ATOM 749 CZ ARG A 51 9.114 15.889 4.968 1.00 0.00 C ATOM 750 NH1 ARG A 51 8.825 14.602 5.105 1.00 0.00 N ATOM 751 NH2 ARG A 51 10.115 16.417 5.662 1.00 0.00 N ATOM 0 H ARG A 51 6.297 12.950 0.815 1.00 0.00 H new ATOM 0 HA ARG A 51 8.964 13.978 0.215 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.316 13.569 2.730 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.016 13.991 2.802 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.627 16.089 1.658 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.976 15.643 1.276 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.598 16.964 3.134 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.743 15.399 3.910 1.00 0.00 H new ATOM 0 HE ARG A 51 8.654 17.634 4.057 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.057 14.192 4.573 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.371 14.022 5.742 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.341 17.406 5.559 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.658 15.833 6.298 1.00 0.00 H new ATOM 765 N ASN A 52 8.350 10.950 1.230 1.00 0.00 N ATOM 766 CA ASN A 52 8.941 9.639 1.470 1.00 0.00 C ATOM 767 C ASN A 52 9.840 9.226 0.309 1.00 0.00 C ATOM 768 O ASN A 52 11.029 8.969 0.491 1.00 0.00 O ATOM 769 CB ASN A 52 7.844 8.592 1.677 1.00 0.00 C ATOM 770 CG ASN A 52 8.211 7.245 1.086 1.00 0.00 C ATOM 771 OD1 ASN A 52 9.250 6.673 1.414 1.00 0.00 O ATOM 772 ND2 ASN A 52 7.357 6.732 0.208 1.00 0.00 N ATOM 0 H ASN A 52 7.332 10.949 1.165 1.00 0.00 H new ATOM 0 HA ASN A 52 9.549 9.703 2.372 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.652 8.477 2.744 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.918 8.945 1.222 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.551 5.828 -0.224 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.507 7.241 -0.034 1.00 0.00 H new ATOM 779 N GLY A 53 9.262 9.166 -0.888 1.00 0.00 N ATOM 780 CA GLY A 53 10.025 8.785 -2.062 1.00 0.00 C ATOM 781 C GLY A 53 9.832 7.328 -2.431 1.00 0.00 C ATOM 782 O GLY A 53 9.475 7.010 -3.566 1.00 0.00 O ATOM 0 H GLY A 53 8.279 9.375 -1.065 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.729 9.412 -2.903 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.083 8.974 -1.881 1.00 0.00 H new ATOM 786 N ARG A 54 10.070 6.439 -1.472 1.00 0.00 N ATOM 787 CA ARG A 54 9.923 5.007 -1.703 1.00 0.00 C ATOM 788 C ARG A 54 8.730 4.723 -2.611 1.00 0.00 C ATOM 789 O ARG A 54 8.732 3.755 -3.370 1.00 0.00 O ATOM 790 CB ARG A 54 9.753 4.269 -0.374 1.00 0.00 C ATOM 791 CG ARG A 54 11.053 4.085 0.391 1.00 0.00 C ATOM 792 CD ARG A 54 11.858 2.914 -0.152 1.00 0.00 C ATOM 793 NE ARG A 54 12.745 3.316 -1.240 1.00 0.00 N ATOM 794 CZ ARG A 54 13.861 4.013 -1.059 1.00 0.00 C ATOM 795 NH1 ARG A 54 14.225 4.382 0.162 1.00 0.00 N ATOM 796 NH2 ARG A 54 14.616 4.342 -2.099 1.00 0.00 N ATOM 0 H ARG A 54 10.366 6.685 -0.527 1.00 0.00 H new ATOM 0 HA ARG A 54 10.827 4.649 -2.196 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.049 4.819 0.250 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.312 3.291 -0.565 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.647 4.997 0.327 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.835 3.920 1.446 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.448 2.476 0.653 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.177 2.140 -0.507 1.00 0.00 H new ATOM 0 HE ARG A 54 12.494 3.047 -2.191 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.647 4.130 0.964 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.082 4.917 0.299 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.340 4.060 -3.039 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.473 4.877 -1.958 1.00 0.00 H new ATOM 810 N MET A 55 7.712 5.574 -2.526 1.00 0.00 N ATOM 811 CA MET A 55 6.513 5.414 -3.341 1.00 0.00 C ATOM 812 C MET A 55 6.194 6.700 -4.096 1.00 0.00 C ATOM 813 O MET A 55 6.336 7.799 -3.559 1.00 0.00 O ATOM 814 CB MET A 55 5.324 5.016 -2.464 1.00 0.00 C ATOM 815 CG MET A 55 4.551 6.203 -1.913 1.00 0.00 C ATOM 816 SD MET A 55 3.029 5.713 -1.079 1.00 0.00 S ATOM 817 CE MET A 55 1.808 6.559 -2.079 1.00 0.00 C ATOM 0 H MET A 55 7.694 6.380 -1.902 1.00 0.00 H new ATOM 0 HA MET A 55 6.700 4.623 -4.068 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.647 4.391 -3.046 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.683 4.409 -1.633 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.183 6.751 -1.215 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.311 6.885 -2.728 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.840 6.072 -1.960 1.00 0.00 H new ATOM 0 HE2 MET A 55 1.733 7.599 -1.760 1.00 0.00 H new ATOM 0 HE3 MET A 55 2.107 6.522 -3.127 1.00 0.00 H new ATOM 827 N ARG A 56 5.763 6.556 -5.345 1.00 0.00 N ATOM 828 CA ARG A 56 5.426 7.707 -6.175 1.00 0.00 C ATOM 829 C ARG A 56 4.121 7.469 -6.930 1.00 0.00 C ATOM 830 O ARG A 56 3.579 6.363 -6.921 1.00 0.00 O ATOM 831 CB ARG A 56 6.555 7.997 -7.165 1.00 0.00 C ATOM 832 CG ARG A 56 7.582 8.989 -6.644 1.00 0.00 C ATOM 833 CD ARG A 56 8.568 8.324 -5.697 1.00 0.00 C ATOM 834 NE ARG A 56 9.873 8.981 -5.716 1.00 0.00 N ATOM 835 CZ ARG A 56 10.096 10.187 -5.205 1.00 0.00 C ATOM 836 NH1 ARG A 56 9.107 10.863 -4.638 1.00 0.00 N ATOM 837 NH2 ARG A 56 11.311 10.717 -5.260 1.00 0.00 N ATOM 0 H ARG A 56 5.639 5.654 -5.805 1.00 0.00 H new ATOM 0 HA ARG A 56 5.296 8.569 -5.521 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.058 7.062 -7.413 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.126 8.383 -8.090 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.122 9.430 -7.482 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.074 9.804 -6.128 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.167 8.344 -4.684 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.686 7.276 -5.973 1.00 0.00 H new ATOM 0 HE ARG A 56 10.655 8.487 -6.145 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.172 10.458 -4.593 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.281 11.789 -4.246 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.074 10.199 -5.695 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.482 11.643 -4.868 1.00 0.00 H new ATOM 851 N VAL A 57 3.622 8.514 -7.582 1.00 0.00 N ATOM 852 CA VAL A 57 2.382 8.419 -8.343 1.00 0.00 C ATOM 853 C VAL A 57 2.621 7.781 -9.707 1.00 0.00 C ATOM 854 O VAL A 57 3.505 8.199 -10.453 1.00 0.00 O ATOM 855 CB VAL A 57 1.738 9.804 -8.542 1.00 0.00 C ATOM 856 CG1 VAL A 57 2.807 10.883 -8.619 1.00 0.00 C ATOM 857 CG2 VAL A 57 0.869 9.812 -9.790 1.00 0.00 C ATOM 0 H VAL A 57 4.057 9.436 -7.599 1.00 0.00 H new ATOM 0 HA VAL A 57 1.704 7.791 -7.765 1.00 0.00 H new ATOM 0 HB VAL A 57 1.102 10.017 -7.683 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.334 11.855 -8.760 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.383 10.891 -7.694 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.471 10.678 -9.459 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.422 10.798 -9.916 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.481 9.578 -10.661 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.081 9.066 -9.689 1.00 0.00 H new ATOM 867 N GLY A 58 1.826 6.765 -10.027 1.00 0.00 N ATOM 868 CA GLY A 58 1.967 6.085 -11.301 1.00 0.00 C ATOM 869 C GLY A 58 2.456 4.659 -11.147 1.00 0.00 C ATOM 870 O GLY A 58 2.670 3.958 -12.137 1.00 0.00 O ATOM 0 H GLY A 58 1.086 6.401 -9.426 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.006 6.083 -11.816 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.664 6.639 -11.930 1.00 0.00 H new ATOM 874 N ASP A 59 2.637 4.229 -9.903 1.00 0.00 N ATOM 875 CA ASP A 59 3.106 2.877 -9.623 1.00 0.00 C ATOM 876 C ASP A 59 1.931 1.926 -9.414 1.00 0.00 C ATOM 877 O ASP A 59 0.781 2.357 -9.322 1.00 0.00 O ATOM 878 CB ASP A 59 4.006 2.873 -8.387 1.00 0.00 C ATOM 879 CG ASP A 59 5.277 3.673 -8.593 1.00 0.00 C ATOM 880 OD1 ASP A 59 5.223 4.700 -9.303 1.00 0.00 O ATOM 881 OD2 ASP A 59 6.325 3.274 -8.045 1.00 0.00 O ATOM 0 H ASP A 59 2.466 4.797 -9.073 1.00 0.00 H new ATOM 0 HA ASP A 59 3.680 2.533 -10.483 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.456 3.282 -7.540 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.264 1.845 -8.133 1.00 0.00 H new ATOM 886 N GLN A 60 2.228 0.633 -9.342 1.00 0.00 N ATOM 887 CA GLN A 60 1.195 -0.378 -9.147 1.00 0.00 C ATOM 888 C GLN A 60 1.329 -1.034 -7.777 1.00 0.00 C ATOM 889 O GLN A 60 2.314 -1.720 -7.499 1.00 0.00 O ATOM 890 CB GLN A 60 1.277 -1.440 -10.244 1.00 0.00 C ATOM 891 CG GLN A 60 0.068 -2.360 -10.293 1.00 0.00 C ATOM 892 CD GLN A 60 0.224 -3.576 -9.402 1.00 0.00 C ATOM 893 OE1 GLN A 60 1.141 -4.378 -9.581 1.00 0.00 O ATOM 894 NE2 GLN A 60 -0.675 -3.721 -8.435 1.00 0.00 N ATOM 0 H GLN A 60 3.175 0.260 -9.416 1.00 0.00 H new ATOM 0 HA GLN A 60 0.224 0.115 -9.201 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.386 -0.945 -11.209 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.174 -2.040 -10.090 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.819 -1.804 -9.990 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.095 -2.686 -11.320 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.419 -3.032 -8.323 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.622 -4.521 -7.805 1.00 0.00 H new ATOM 903 N ILE A 61 0.332 -0.820 -6.924 1.00 0.00 N ATOM 904 CA ILE A 61 0.339 -1.392 -5.583 1.00 0.00 C ATOM 905 C ILE A 61 -0.169 -2.830 -5.596 1.00 0.00 C ATOM 906 O ILE A 61 -1.265 -3.107 -6.085 1.00 0.00 O ATOM 907 CB ILE A 61 -0.524 -0.563 -4.614 1.00 0.00 C ATOM 908 CG1 ILE A 61 -0.099 0.906 -4.646 1.00 0.00 C ATOM 909 CG2 ILE A 61 -0.418 -1.120 -3.202 1.00 0.00 C ATOM 910 CD1 ILE A 61 -1.177 1.858 -4.177 1.00 0.00 C ATOM 0 H ILE A 61 -0.490 -0.255 -7.138 1.00 0.00 H new ATOM 0 HA ILE A 61 1.373 -1.378 -5.239 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.565 -0.627 -4.932 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.784 1.034 -4.020 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.190 1.170 -5.663 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.033 -0.524 -2.528 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.765 -2.153 -3.191 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.621 -1.083 -2.873 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.805 2.881 -4.227 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.054 1.759 -4.817 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.450 1.621 -3.149 1.00 0.00 H new ATOM 922 N ILE A 62 0.633 -3.740 -5.054 1.00 0.00 N ATOM 923 CA ILE A 62 0.263 -5.149 -5.001 1.00 0.00 C ATOM 924 C ILE A 62 -0.197 -5.544 -3.602 1.00 0.00 C ATOM 925 O ILE A 62 -0.942 -6.508 -3.432 1.00 0.00 O ATOM 926 CB ILE A 62 1.436 -6.055 -5.419 1.00 0.00 C ATOM 927 CG1 ILE A 62 2.770 -5.383 -5.090 1.00 0.00 C ATOM 928 CG2 ILE A 62 1.352 -6.380 -6.903 1.00 0.00 C ATOM 929 CD1 ILE A 62 3.144 -4.278 -6.053 1.00 0.00 C ATOM 0 H ILE A 62 1.543 -3.527 -4.645 1.00 0.00 H new ATOM 0 HA ILE A 62 -0.559 -5.286 -5.703 1.00 0.00 H new ATOM 0 HB ILE A 62 1.373 -6.988 -4.859 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.722 -4.974 -4.081 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.557 -6.137 -5.091 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.188 -7.021 -7.183 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.414 -6.896 -7.110 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.394 -5.457 -7.481 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.101 -3.847 -5.758 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.225 -4.685 -7.061 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.376 -3.504 -6.035 1.00 0.00 H new ATOM 941 N GLU A 63 0.252 -4.790 -2.603 1.00 0.00 N ATOM 942 CA GLU A 63 -0.114 -5.062 -1.218 1.00 0.00 C ATOM 943 C GLU A 63 -0.442 -3.768 -0.478 1.00 0.00 C ATOM 944 O GLU A 63 0.035 -2.694 -0.844 1.00 0.00 O ATOM 945 CB GLU A 63 1.020 -5.799 -0.502 1.00 0.00 C ATOM 946 CG GLU A 63 0.585 -6.486 0.782 1.00 0.00 C ATOM 947 CD GLU A 63 1.561 -7.555 1.231 1.00 0.00 C ATOM 948 OE1 GLU A 63 2.783 -7.299 1.191 1.00 0.00 O ATOM 949 OE2 GLU A 63 1.103 -8.649 1.623 1.00 0.00 O ATOM 0 H GLU A 63 0.869 -3.987 -2.727 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.002 -5.694 -1.221 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.442 -6.543 -1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.815 -5.090 -0.273 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.480 -5.741 1.571 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.397 -6.935 0.635 1.00 0.00 H new ATOM 956 N ILE A 64 -1.258 -3.880 0.565 1.00 0.00 N ATOM 957 CA ILE A 64 -1.649 -2.721 1.356 1.00 0.00 C ATOM 958 C ILE A 64 -1.742 -3.072 2.837 1.00 0.00 C ATOM 959 O ILE A 64 -2.583 -3.873 3.244 1.00 0.00 O ATOM 960 CB ILE A 64 -3.001 -2.150 0.889 1.00 0.00 C ATOM 961 CG1 ILE A 64 -2.876 -1.574 -0.523 1.00 0.00 C ATOM 962 CG2 ILE A 64 -3.491 -1.086 1.860 1.00 0.00 C ATOM 963 CD1 ILE A 64 -4.209 -1.273 -1.172 1.00 0.00 C ATOM 0 H ILE A 64 -1.661 -4.762 0.881 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.876 -1.966 1.212 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.732 -2.958 0.868 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.286 -0.659 -0.482 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.328 -2.279 -1.147 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.447 -0.692 1.516 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.614 -1.526 2.850 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.763 -0.277 1.911 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.044 -0.868 -2.170 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.794 -2.190 -1.245 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.751 -0.544 -0.569 1.00 0.00 H new ATOM 975 N ASN A 65 -0.873 -2.466 3.640 1.00 0.00 N ATOM 976 CA ASN A 65 -0.858 -2.713 5.077 1.00 0.00 C ATOM 977 C ASN A 65 -0.685 -4.200 5.370 1.00 0.00 C ATOM 978 O ASN A 65 -1.126 -4.695 6.407 1.00 0.00 O ATOM 979 CB ASN A 65 -2.150 -2.202 5.717 1.00 0.00 C ATOM 980 CG ASN A 65 -2.051 -0.750 6.141 1.00 0.00 C ATOM 981 OD1 ASN A 65 -0.956 -0.196 6.247 1.00 0.00 O ATOM 982 ND2 ASN A 65 -3.196 -0.125 6.385 1.00 0.00 N ATOM 0 H ASN A 65 -0.170 -1.800 3.319 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.012 -2.175 5.505 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.972 -2.316 5.010 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.389 -2.816 6.586 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.192 0.853 6.673 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -4.080 -0.623 6.284 1.00 0.00 H new ATOM 1072 N MET A 72 -9.900 -6.894 -3.772 1.00 0.00 N ATOM 1073 CA MET A 72 -10.274 -5.712 -3.004 1.00 0.00 C ATOM 1074 C MET A 72 -10.736 -4.588 -3.925 1.00 0.00 C ATOM 1075 O MET A 72 -10.217 -4.424 -5.030 1.00 0.00 O ATOM 1076 CB MET A 72 -9.096 -5.237 -2.151 1.00 0.00 C ATOM 1077 CG MET A 72 -8.348 -6.368 -1.465 1.00 0.00 C ATOM 1078 SD MET A 72 -7.551 -5.846 0.066 1.00 0.00 S ATOM 1079 CE MET A 72 -6.976 -4.213 -0.392 1.00 0.00 C ATOM 0 HA MET A 72 -11.101 -5.983 -2.348 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.401 -4.683 -2.782 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.462 -4.543 -1.394 1.00 0.00 H new ATOM 0 HG2 MET A 72 -9.043 -7.180 -1.250 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.595 -6.765 -2.145 1.00 0.00 H new ATOM 0 HE1 MET A 72 -6.080 -3.969 0.179 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.744 -4.194 -1.457 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.753 -3.480 -0.177 1.00 0.00 H new ATOM 1089 N THR A 73 -11.714 -3.815 -3.465 1.00 0.00 N ATOM 1090 CA THR A 73 -12.247 -2.707 -4.248 1.00 0.00 C ATOM 1091 C THR A 73 -11.614 -1.385 -3.831 1.00 0.00 C ATOM 1092 O THR A 73 -11.247 -1.199 -2.670 1.00 0.00 O ATOM 1093 CB THR A 73 -13.776 -2.600 -4.102 1.00 0.00 C ATOM 1094 OG1 THR A 73 -14.135 -2.561 -2.717 1.00 0.00 O ATOM 1095 CG2 THR A 73 -14.468 -3.774 -4.778 1.00 0.00 C ATOM 0 H THR A 73 -12.154 -3.936 -2.553 1.00 0.00 H new ATOM 0 HA THR A 73 -12.003 -2.911 -5.291 1.00 0.00 H new ATOM 0 HB THR A 73 -14.101 -1.679 -4.587 1.00 0.00 H new ATOM 0 HG1 THR A 73 -15.109 -2.491 -2.633 1.00 0.00 H new ATOM 0 HG21 THR A 73 -15.547 -3.676 -4.661 1.00 0.00 H new ATOM 0 HG22 THR A 73 -14.217 -3.783 -5.839 1.00 0.00 H new ATOM 0 HG23 THR A 73 -14.136 -4.705 -4.319 1.00 0.00 H new ATOM 1103 N HIS A 74 -11.489 -0.467 -4.785 1.00 0.00 N ATOM 1104 CA HIS A 74 -10.901 0.841 -4.515 1.00 0.00 C ATOM 1105 C HIS A 74 -11.362 1.376 -3.163 1.00 0.00 C ATOM 1106 O HIS A 74 -10.652 2.143 -2.513 1.00 0.00 O ATOM 1107 CB HIS A 74 -11.273 1.828 -5.621 1.00 0.00 C ATOM 1108 CG HIS A 74 -10.432 3.068 -5.625 1.00 0.00 C ATOM 1109 ND1 HIS A 74 -10.704 4.159 -6.423 1.00 0.00 N ATOM 1110 CD2 HIS A 74 -9.322 3.387 -4.919 1.00 0.00 C ATOM 1111 CE1 HIS A 74 -9.796 5.095 -6.210 1.00 0.00 C ATOM 1112 NE2 HIS A 74 -8.946 4.651 -5.301 1.00 0.00 N ATOM 0 H HIS A 74 -11.787 -0.605 -5.751 1.00 0.00 H new ATOM 0 HA HIS A 74 -9.817 0.727 -4.489 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -11.178 1.331 -6.587 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -12.320 2.109 -5.509 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -8.825 2.763 -4.191 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -9.756 6.059 -6.696 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -8.141 5.164 -4.941 1.00 0.00 H new ATOM 1121 N ALA A 75 -12.556 0.966 -2.746 1.00 0.00 N ATOM 1122 CA ALA A 75 -13.111 1.403 -1.471 1.00 0.00 C ATOM 1123 C ALA A 75 -12.345 0.794 -0.301 1.00 0.00 C ATOM 1124 O ALA A 75 -11.937 1.501 0.621 1.00 0.00 O ATOM 1125 CB ALA A 75 -14.586 1.039 -1.385 1.00 0.00 C ATOM 0 H ALA A 75 -13.157 0.332 -3.273 1.00 0.00 H new ATOM 0 HA ALA A 75 -13.011 2.487 -1.412 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -14.988 1.371 -0.428 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -15.129 1.526 -2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.700 -0.042 -1.471 1.00 0.00 H new ATOM 1131 N ARG A 76 -12.154 -0.520 -0.345 1.00 0.00 N ATOM 1132 CA ARG A 76 -11.439 -1.224 0.713 1.00 0.00 C ATOM 1133 C ARG A 76 -10.066 -0.601 0.948 1.00 0.00 C ATOM 1134 O ARG A 76 -9.761 -0.145 2.049 1.00 0.00 O ATOM 1135 CB ARG A 76 -11.286 -2.704 0.357 1.00 0.00 C ATOM 1136 CG ARG A 76 -10.290 -3.442 1.237 1.00 0.00 C ATOM 1137 CD ARG A 76 -10.644 -3.311 2.710 1.00 0.00 C ATOM 1138 NE ARG A 76 -10.175 -4.453 3.489 1.00 0.00 N ATOM 1139 CZ ARG A 76 -10.671 -4.787 4.675 1.00 0.00 C ATOM 1140 NH1 ARG A 76 -11.647 -4.070 5.215 1.00 0.00 N ATOM 1141 NH2 ARG A 76 -10.192 -5.841 5.324 1.00 0.00 N ATOM 0 H ARG A 76 -12.484 -1.119 -1.102 1.00 0.00 H new ATOM 0 HA ARG A 76 -12.020 -1.137 1.631 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -12.258 -3.190 0.436 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.971 -2.788 -0.683 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.268 -4.496 0.959 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -9.289 -3.047 1.066 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.206 -2.396 3.108 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.725 -3.219 2.816 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.425 -5.026 3.101 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -12.019 -3.260 4.719 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -12.026 -4.329 6.126 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.442 -6.396 4.912 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.574 -6.096 6.235 1.00 0.00 H new ATOM 1155 N ALA A 77 -9.242 -0.588 -0.095 1.00 0.00 N ATOM 1156 CA ALA A 77 -7.903 -0.020 -0.002 1.00 0.00 C ATOM 1157 C ALA A 77 -7.934 1.359 0.647 1.00 0.00 C ATOM 1158 O ALA A 77 -7.012 1.736 1.371 1.00 0.00 O ATOM 1159 CB ALA A 77 -7.266 0.058 -1.382 1.00 0.00 C ATOM 0 H ALA A 77 -9.478 -0.964 -1.013 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.301 -0.675 0.628 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.266 0.484 -1.298 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.199 -0.943 -1.809 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.876 0.689 -2.029 1.00 0.00 H new ATOM 1165 N ILE A 78 -9.000 2.108 0.383 1.00 0.00 N ATOM 1166 CA ILE A 78 -9.151 3.445 0.942 1.00 0.00 C ATOM 1167 C ILE A 78 -9.390 3.388 2.447 1.00 0.00 C ATOM 1168 O ILE A 78 -9.053 4.322 3.175 1.00 0.00 O ATOM 1169 CB ILE A 78 -10.313 4.206 0.278 1.00 0.00 C ATOM 1170 CG1 ILE A 78 -9.980 4.515 -1.183 1.00 0.00 C ATOM 1171 CG2 ILE A 78 -10.613 5.487 1.041 1.00 0.00 C ATOM 1172 CD1 ILE A 78 -9.174 5.782 -1.364 1.00 0.00 C ATOM 0 H ILE A 78 -9.771 1.811 -0.215 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.220 3.976 0.744 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.202 3.575 0.303 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.425 3.677 -1.606 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.908 4.600 -1.748 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.437 6.013 0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.889 5.243 2.067 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.728 6.124 1.045 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.975 5.938 -2.424 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.736 6.630 -0.972 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.230 5.692 -0.827 1.00 0.00 H new ATOM 1184 N GLU A 79 -9.972 2.285 2.907 1.00 0.00 N ATOM 1185 CA GLU A 79 -10.254 2.106 4.326 1.00 0.00 C ATOM 1186 C GLU A 79 -9.065 1.472 5.042 1.00 0.00 C ATOM 1187 O GLU A 79 -8.904 1.622 6.255 1.00 0.00 O ATOM 1188 CB GLU A 79 -11.499 1.236 4.515 1.00 0.00 C ATOM 1189 CG GLU A 79 -11.185 -0.223 4.800 1.00 0.00 C ATOM 1190 CD GLU A 79 -12.430 -1.048 5.061 1.00 0.00 C ATOM 1191 OE1 GLU A 79 -13.338 -1.037 4.203 1.00 0.00 O ATOM 1192 OE2 GLU A 79 -12.498 -1.703 6.122 1.00 0.00 O ATOM 0 H GLU A 79 -10.257 1.503 2.318 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.436 3.089 4.761 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.092 1.638 5.336 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.115 1.298 3.618 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.644 -0.646 3.954 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.524 -0.286 5.664 1.00 0.00 H new ATOM 1199 N LEU A 80 -8.234 0.765 4.285 1.00 0.00 N ATOM 1200 CA LEU A 80 -7.059 0.107 4.846 1.00 0.00 C ATOM 1201 C LEU A 80 -5.994 1.130 5.229 1.00 0.00 C ATOM 1202 O LEU A 80 -5.379 1.032 6.291 1.00 0.00 O ATOM 1203 CB LEU A 80 -6.483 -0.894 3.843 1.00 0.00 C ATOM 1204 CG LEU A 80 -7.351 -2.117 3.542 1.00 0.00 C ATOM 1205 CD1 LEU A 80 -6.674 -3.012 2.516 1.00 0.00 C ATOM 1206 CD2 LEU A 80 -7.644 -2.891 4.819 1.00 0.00 C ATOM 0 H LEU A 80 -8.352 0.632 3.281 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.366 -0.426 5.746 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.291 -0.370 2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.520 -1.240 4.218 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.298 -1.773 3.125 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.306 -3.877 2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.518 -2.454 1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.712 -3.348 2.904 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.263 -3.758 4.585 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.707 -3.224 5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.172 -2.247 5.522 1.00 0.00 H new ATOM 1218 N ILE A 81 -5.783 2.111 4.358 1.00 0.00 N ATOM 1219 CA ILE A 81 -4.796 3.154 4.607 1.00 0.00 C ATOM 1220 C ILE A 81 -5.087 3.887 5.912 1.00 0.00 C ATOM 1221 O ILE A 81 -4.172 4.336 6.603 1.00 0.00 O ATOM 1222 CB ILE A 81 -4.753 4.176 3.456 1.00 0.00 C ATOM 1223 CG1 ILE A 81 -4.557 3.461 2.117 1.00 0.00 C ATOM 1224 CG2 ILE A 81 -3.643 5.190 3.688 1.00 0.00 C ATOM 1225 CD1 ILE A 81 -5.021 4.270 0.927 1.00 0.00 C ATOM 0 H ILE A 81 -6.282 2.205 3.474 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.827 2.660 4.679 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.704 4.708 3.427 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.501 3.221 1.994 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -5.099 2.515 2.137 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.626 5.905 2.866 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -3.822 5.718 4.625 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.684 4.674 3.740 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.852 3.702 0.012 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.084 4.488 1.027 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.462 5.205 0.882 1.00 0.00 H new ATOM 1237 N LYS A 82 -6.368 4.003 6.246 1.00 0.00 N ATOM 1238 CA LYS A 82 -6.782 4.679 7.470 1.00 0.00 C ATOM 1239 C LYS A 82 -7.036 3.672 8.588 1.00 0.00 C ATOM 1240 O LYS A 82 -7.099 4.037 9.762 1.00 0.00 O ATOM 1241 CB LYS A 82 -8.045 5.506 7.218 1.00 0.00 C ATOM 1242 CG LYS A 82 -8.947 4.926 6.142 1.00 0.00 C ATOM 1243 CD LYS A 82 -10.191 5.775 5.941 1.00 0.00 C ATOM 1244 CE LYS A 82 -9.922 6.949 5.013 1.00 0.00 C ATOM 1245 NZ LYS A 82 -10.897 8.055 5.220 1.00 0.00 N ATOM 0 H LYS A 82 -7.138 3.637 5.686 1.00 0.00 H new ATOM 0 HA LYS A 82 -5.975 5.344 7.779 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.608 5.586 8.148 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -7.756 6.517 6.932 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.397 4.856 5.203 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -9.238 3.912 6.417 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -10.990 5.159 5.528 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -10.540 6.145 6.905 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -8.911 7.320 5.181 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.970 6.612 3.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -10.679 8.836 4.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.860 7.708 5.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -10.834 8.395 6.201 1.00 0.00 H new ATOM 1259 N SER A 83 -7.178 2.404 8.215 1.00 0.00 N ATOM 1260 CA SER A 83 -7.426 1.346 9.187 1.00 0.00 C ATOM 1261 C SER A 83 -6.162 1.027 9.979 1.00 0.00 C ATOM 1262 O SER A 83 -6.226 0.663 11.152 1.00 0.00 O ATOM 1263 CB SER A 83 -7.931 0.085 8.481 1.00 0.00 C ATOM 1264 OG SER A 83 -8.098 -0.981 9.400 1.00 0.00 O ATOM 0 H SER A 83 -7.126 2.085 7.248 1.00 0.00 H new ATOM 0 HA SER A 83 -8.189 1.697 9.882 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.880 0.296 7.987 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.225 -0.208 7.704 1.00 0.00 H new ATOM 0 HG SER A 83 -8.423 -1.774 8.925 1.00 0.00 H new ATOM 1270 N GLY A 84 -5.012 1.166 9.326 1.00 0.00 N ATOM 1271 CA GLY A 84 -3.748 0.890 9.983 1.00 0.00 C ATOM 1272 C GLY A 84 -3.415 1.910 11.054 1.00 0.00 C ATOM 1273 O GLY A 84 -2.909 1.559 12.119 1.00 0.00 O ATOM 0 H GLY A 84 -4.933 1.465 8.354 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -3.784 -0.103 10.431 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -2.951 0.876 9.239 1.00 0.00 H new ATOM 1277 N GLY A 85 -3.699 3.177 10.771 1.00 0.00 N ATOM 1278 CA GLY A 85 -3.419 4.232 11.727 1.00 0.00 C ATOM 1279 C GLY A 85 -2.665 5.392 11.107 1.00 0.00 C ATOM 1280 O GLY A 85 -2.950 5.793 9.978 1.00 0.00 O ATOM 0 H GLY A 85 -4.118 3.492 9.896 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.357 4.595 12.147 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.836 3.824 12.553 1.00 0.00 H new ATOM 1284 N ARG A 86 -1.701 5.932 11.845 1.00 0.00 N ATOM 1285 CA ARG A 86 -0.906 7.054 11.362 1.00 0.00 C ATOM 1286 C ARG A 86 0.225 6.570 10.459 1.00 0.00 C ATOM 1287 O ARG A 86 0.744 7.327 9.638 1.00 0.00 O ATOM 1288 CB ARG A 86 -0.331 7.843 12.539 1.00 0.00 C ATOM 1289 CG ARG A 86 -1.184 9.032 12.951 1.00 0.00 C ATOM 1290 CD ARG A 86 -0.836 9.508 14.353 1.00 0.00 C ATOM 1291 NE ARG A 86 -1.638 8.838 15.373 1.00 0.00 N ATOM 1292 CZ ARG A 86 -1.280 8.753 16.649 1.00 0.00 C ATOM 1293 NH1 ARG A 86 -0.140 9.292 17.060 1.00 0.00 N ATOM 1294 NH2 ARG A 86 -2.063 8.127 17.519 1.00 0.00 N ATOM 0 H ARG A 86 -1.452 5.610 12.780 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.558 7.706 10.781 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.218 7.175 13.393 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.666 8.196 12.276 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.040 9.848 12.242 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.238 8.757 12.910 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.221 9.326 14.546 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.991 10.585 14.419 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.521 8.412 15.090 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.465 9.774 16.395 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.132 9.225 18.041 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.941 7.711 17.208 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.787 8.062 18.499 1.00 0.00 H new ATOM 1308 N ARG A 87 0.602 5.306 10.617 1.00 0.00 N ATOM 1309 CA ARG A 87 1.672 4.721 9.818 1.00 0.00 C ATOM 1310 C ARG A 87 1.125 3.653 8.876 1.00 0.00 C ATOM 1311 O ARG A 87 0.496 2.689 9.312 1.00 0.00 O ATOM 1312 CB ARG A 87 2.743 4.116 10.726 1.00 0.00 C ATOM 1313 CG ARG A 87 3.261 5.079 11.783 1.00 0.00 C ATOM 1314 CD ARG A 87 4.298 4.418 12.678 1.00 0.00 C ATOM 1315 NE ARG A 87 5.407 3.858 11.910 1.00 0.00 N ATOM 1316 CZ ARG A 87 6.266 2.971 12.400 1.00 0.00 C ATOM 1317 NH1 ARG A 87 6.144 2.545 13.649 1.00 0.00 N ATOM 1318 NH2 ARG A 87 7.249 2.508 11.639 1.00 0.00 N ATOM 0 H ARG A 87 0.182 4.667 11.292 1.00 0.00 H new ATOM 0 HA ARG A 87 2.120 5.514 9.219 1.00 0.00 H new ATOM 0 HB2 ARG A 87 2.333 3.234 11.219 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.579 3.779 10.113 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.700 5.951 11.298 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.429 5.436 12.390 1.00 0.00 H new ATOM 0 HD2 ARG A 87 4.682 5.149 13.389 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.824 3.627 13.259 1.00 0.00 H new ATOM 0 HE ARG A 87 5.529 4.165 10.945 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.389 2.898 14.237 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.805 1.864 14.022 1.00 0.00 H new ATOM 0 HH21 ARG A 87 7.346 2.833 10.677 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.908 1.827 12.016 1.00 0.00 H new ATOM 1332 N VAL A 88 1.369 3.831 7.581 1.00 0.00 N ATOM 1333 CA VAL A 88 0.903 2.883 6.577 1.00 0.00 C ATOM 1334 C VAL A 88 2.072 2.268 5.817 1.00 0.00 C ATOM 1335 O VAL A 88 3.096 2.917 5.601 1.00 0.00 O ATOM 1336 CB VAL A 88 -0.053 3.553 5.573 1.00 0.00 C ATOM 1337 CG1 VAL A 88 0.654 4.676 4.830 1.00 0.00 C ATOM 1338 CG2 VAL A 88 -0.608 2.525 4.598 1.00 0.00 C ATOM 0 H VAL A 88 1.887 4.624 7.203 1.00 0.00 H new ATOM 0 HA VAL A 88 0.366 2.097 7.109 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.888 3.984 6.126 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.037 5.138 4.125 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.998 5.425 5.544 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.509 4.272 4.288 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.282 3.016 3.896 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.213 2.063 4.050 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.154 1.759 5.149 1.00 0.00 H new ATOM 1348 N ARG A 89 1.913 1.012 5.412 1.00 0.00 N ATOM 1349 CA ARG A 89 2.956 0.309 4.675 1.00 0.00 C ATOM 1350 C ARG A 89 2.353 -0.555 3.571 1.00 0.00 C ATOM 1351 O ARG A 89 1.602 -1.493 3.841 1.00 0.00 O ATOM 1352 CB ARG A 89 3.782 -0.561 5.624 1.00 0.00 C ATOM 1353 CG ARG A 89 4.694 -1.545 4.910 1.00 0.00 C ATOM 1354 CD ARG A 89 5.087 -2.700 5.817 1.00 0.00 C ATOM 1355 NE ARG A 89 6.120 -2.317 6.775 1.00 0.00 N ATOM 1356 CZ ARG A 89 6.679 -3.164 7.632 1.00 0.00 C ATOM 1357 NH1 ARG A 89 6.306 -4.437 7.650 1.00 0.00 N ATOM 1358 NH2 ARG A 89 7.613 -2.740 8.473 1.00 0.00 N ATOM 0 H ARG A 89 1.072 0.461 5.582 1.00 0.00 H new ATOM 0 HA ARG A 89 3.607 1.053 4.216 1.00 0.00 H new ATOM 0 HB2 ARG A 89 4.386 0.084 6.262 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.107 -1.113 6.278 1.00 0.00 H new ATOM 0 HG2 ARG A 89 4.191 -1.932 4.024 1.00 0.00 H new ATOM 0 HG3 ARG A 89 5.591 -1.029 4.567 1.00 0.00 H new ATOM 0 HD2 ARG A 89 4.207 -3.054 6.355 1.00 0.00 H new ATOM 0 HD3 ARG A 89 5.446 -3.531 5.210 1.00 0.00 H new ATOM 0 HE ARG A 89 6.430 -1.345 6.787 1.00 0.00 H new ATOM 0 HH11 ARG A 89 5.588 -4.767 7.005 1.00 0.00 H new ATOM 0 HH12 ARG A 89 6.737 -5.085 8.309 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.903 -1.762 8.462 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.041 -3.392 9.130 1.00 0.00 H new ATOM 1372 N LEU A 90 2.687 -0.233 2.326 1.00 0.00 N ATOM 1373 CA LEU A 90 2.179 -0.979 1.180 1.00 0.00 C ATOM 1374 C LEU A 90 3.320 -1.427 0.272 1.00 0.00 C ATOM 1375 O LEU A 90 4.358 -0.768 0.190 1.00 0.00 O ATOM 1376 CB LEU A 90 1.189 -0.123 0.388 1.00 0.00 C ATOM 1377 CG LEU A 90 1.380 1.391 0.488 1.00 0.00 C ATOM 1378 CD1 LEU A 90 1.009 2.063 -0.824 1.00 0.00 C ATOM 1379 CD2 LEU A 90 0.553 1.958 1.633 1.00 0.00 C ATOM 0 H LEU A 90 3.307 0.540 2.084 1.00 0.00 H new ATOM 0 HA LEU A 90 1.667 -1.866 1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.252 -0.408 -0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.181 -0.365 0.724 1.00 0.00 H new ATOM 0 HG LEU A 90 2.432 1.593 0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.151 3.140 -0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.644 1.679 -1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.035 1.853 -1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.701 3.036 1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.502 1.745 1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.867 1.499 2.571 1.00 0.00 H new ATOM 1391 N LEU A 91 3.122 -2.550 -0.409 1.00 0.00 N ATOM 1392 CA LEU A 91 4.133 -3.086 -1.313 1.00 0.00 C ATOM 1393 C LEU A 91 3.991 -2.483 -2.707 1.00 0.00 C ATOM 1394 O LEU A 91 3.015 -2.746 -3.412 1.00 0.00 O ATOM 1395 CB LEU A 91 4.022 -4.609 -1.389 1.00 0.00 C ATOM 1396 CG LEU A 91 5.242 -5.344 -1.945 1.00 0.00 C ATOM 1397 CD1 LEU A 91 4.957 -6.833 -2.071 1.00 0.00 C ATOM 1398 CD2 LEU A 91 5.649 -4.761 -3.290 1.00 0.00 C ATOM 0 H LEU A 91 2.270 -3.107 -0.352 1.00 0.00 H new ATOM 0 HA LEU A 91 5.114 -2.819 -0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.819 -4.989 -0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.159 -4.860 -2.006 1.00 0.00 H new ATOM 0 HG LEU A 91 6.070 -5.211 -1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.837 -7.339 -2.468 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.715 -7.241 -1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.115 -6.986 -2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.519 -5.296 -3.670 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.824 -4.862 -3.995 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.896 -3.706 -3.170 1.00 0.00 H new ATOM 1410 N LEU A 92 4.970 -1.677 -3.100 1.00 0.00 N ATOM 1411 CA LEU A 92 4.956 -1.038 -4.412 1.00 0.00 C ATOM 1412 C LEU A 92 6.192 -1.424 -5.218 1.00 0.00 C ATOM 1413 O LEU A 92 7.245 -1.725 -4.656 1.00 0.00 O ATOM 1414 CB LEU A 92 4.885 0.482 -4.260 1.00 0.00 C ATOM 1415 CG LEU A 92 4.276 1.246 -5.436 1.00 0.00 C ATOM 1416 CD1 LEU A 92 2.765 1.072 -5.460 1.00 0.00 C ATOM 1417 CD2 LEU A 92 4.643 2.721 -5.362 1.00 0.00 C ATOM 0 H LEU A 92 5.784 -1.450 -2.529 1.00 0.00 H new ATOM 0 HA LEU A 92 4.073 -1.384 -4.949 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.306 0.711 -3.365 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.894 0.858 -4.092 1.00 0.00 H new ATOM 0 HG LEU A 92 4.684 0.837 -6.360 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.349 1.623 -6.304 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.522 0.014 -5.562 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.340 1.454 -4.532 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.201 3.249 -6.207 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.264 3.144 -4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.727 2.828 -5.394 1.00 0.00 H new