USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 490 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 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.121 K(o=-0.12,f=-2.2!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -4:sc= 0.984 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 153:sc= -0.109 (180deg=-0.403) USER MOD Single : A 50 MET CE :methyl 178:sc= -0.748 (180deg=-0.784) USER MOD Single : A 53 HIS : no HE2:sc= -4.78! C(o=-4.8!,f=-8.2!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 159:sc= -1.89 USER MOD Single : A 70 ASN : amide:sc= -0.0571 K(o=-0.057,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 94 N LYS A 10 -0.034 12.569 8.763 1.00 0.00 N ATOM 95 CA LYS A 10 0.604 12.555 7.452 1.00 0.00 C ATOM 96 C LYS A 10 1.602 11.406 7.344 1.00 0.00 C ATOM 97 O LYS A 10 1.348 10.411 6.666 1.00 0.00 O ATOM 98 CB LYS A 10 1.313 13.886 7.193 1.00 0.00 C ATOM 99 CG LYS A 10 0.400 15.095 7.311 1.00 0.00 C ATOM 100 CD LYS A 10 -0.634 15.123 6.198 1.00 0.00 C ATOM 101 CE LYS A 10 -1.856 15.938 6.593 1.00 0.00 C ATOM 102 NZ LYS A 10 -1.692 17.380 6.261 1.00 0.00 N ATOM 0 HA LYS A 10 -0.172 12.411 6.700 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.136 13.993 7.899 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.750 13.867 6.195 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.104 15.078 8.277 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.996 16.007 7.278 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.189 15.546 5.297 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.937 14.104 5.956 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.735 15.545 6.082 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.034 15.830 7.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.546 17.901 6.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.868 17.762 6.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.547 17.486 5.237 1.00 0.00 H new ATOM 116 N LYS A 11 2.737 11.550 8.019 1.00 0.00 N ATOM 117 CA LYS A 11 3.773 10.524 8.002 1.00 0.00 C ATOM 118 C LYS A 11 3.237 9.202 8.542 1.00 0.00 C ATOM 119 O LYS A 11 2.256 9.159 9.285 1.00 0.00 O ATOM 120 CB LYS A 11 4.979 10.974 8.829 1.00 0.00 C ATOM 121 CG LYS A 11 5.870 11.973 8.112 1.00 0.00 C ATOM 122 CD LYS A 11 6.860 12.623 9.064 1.00 0.00 C ATOM 123 CE LYS A 11 8.157 11.833 9.144 1.00 0.00 C ATOM 124 NZ LYS A 11 8.808 11.968 10.477 1.00 0.00 N ATOM 0 H LYS A 11 2.963 12.368 8.585 1.00 0.00 H new ATOM 0 HA LYS A 11 4.085 10.375 6.968 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.625 11.418 9.760 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.571 10.099 9.098 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.411 11.469 7.311 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.254 12.742 7.646 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.072 13.639 8.732 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.416 12.698 10.057 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.954 10.781 8.944 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.841 12.179 8.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.689 11.415 10.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.025 12.969 10.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.166 11.614 11.214 1.00 0.00 H new ATOM 138 N PRO A 12 3.896 8.096 8.163 1.00 0.00 N ATOM 139 CA PRO A 12 3.505 6.753 8.600 1.00 0.00 C ATOM 140 C PRO A 12 3.775 6.524 10.084 1.00 0.00 C ATOM 141 O PRO A 12 4.922 6.439 10.525 1.00 0.00 O ATOM 142 CB PRO A 12 4.384 5.833 7.749 1.00 0.00 C ATOM 143 CG PRO A 12 5.573 6.660 7.402 1.00 0.00 C ATOM 144 CD PRO A 12 5.074 8.073 7.280 1.00 0.00 C ATOM 0 HA PRO A 12 2.436 6.579 8.476 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.672 4.938 8.301 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.858 5.500 6.854 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.340 6.582 8.172 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.023 6.323 6.468 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.828 8.794 7.597 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.810 8.319 6.251 1.00 0.00 H new ATOM 152 N PRO A 13 2.696 6.421 10.873 1.00 0.00 N ATOM 153 CA PRO A 13 2.792 6.199 12.319 1.00 0.00 C ATOM 154 C PRO A 13 3.296 4.801 12.659 1.00 0.00 C ATOM 155 O PRO A 13 3.537 3.985 11.771 1.00 0.00 O ATOM 156 CB PRO A 13 1.350 6.380 12.802 1.00 0.00 C ATOM 157 CG PRO A 13 0.510 6.062 11.614 1.00 0.00 C ATOM 158 CD PRO A 13 1.299 6.512 10.416 1.00 0.00 C ATOM 0 HA PRO A 13 3.502 6.879 12.789 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.125 5.714 13.635 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.174 7.398 13.150 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.296 4.994 11.562 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.449 6.577 11.665 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.117 5.873 9.552 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.038 7.529 10.122 1.00 0.00 H new ATOM 166 N ASN A 14 3.452 4.531 13.951 1.00 0.00 N ATOM 167 CA ASN A 14 3.927 3.230 14.408 1.00 0.00 C ATOM 168 C ASN A 14 2.984 2.118 13.959 1.00 0.00 C ATOM 169 O ASN A 14 1.940 1.892 14.570 1.00 0.00 O ATOM 170 CB ASN A 14 4.058 3.219 15.933 1.00 0.00 C ATOM 171 CG ASN A 14 4.755 1.972 16.444 1.00 0.00 C ATOM 172 OD1 ASN A 14 4.121 1.080 17.007 1.00 0.00 O ATOM 173 ND2 ASN A 14 6.067 1.906 16.249 1.00 0.00 N ATOM 0 H ASN A 14 3.256 5.196 14.700 1.00 0.00 H new ATOM 0 HA ASN A 14 4.907 3.052 13.964 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.614 4.100 16.254 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.067 3.287 16.381 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.590 1.092 16.571 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.552 2.670 15.777 1.00 0.00 H new ATOM 180 N ARG A 15 3.362 1.426 12.889 1.00 0.00 N ATOM 181 CA ARG A 15 2.550 0.338 12.358 1.00 0.00 C ATOM 182 C ARG A 15 3.425 -0.711 11.678 1.00 0.00 C ATOM 183 O ARG A 15 3.927 -0.513 10.571 1.00 0.00 O ATOM 184 CB ARG A 15 1.519 0.879 11.365 1.00 0.00 C ATOM 185 CG ARG A 15 0.910 -0.192 10.475 1.00 0.00 C ATOM 186 CD ARG A 15 -0.426 0.255 9.901 1.00 0.00 C ATOM 187 NE ARG A 15 -1.408 0.526 10.947 1.00 0.00 N ATOM 188 CZ ARG A 15 -1.595 1.726 11.486 1.00 0.00 C ATOM 189 NH1 ARG A 15 -0.871 2.760 11.079 1.00 0.00 N ATOM 190 NH2 ARG A 15 -2.508 1.894 12.434 1.00 0.00 N ATOM 0 H ARG A 15 4.225 1.599 12.373 1.00 0.00 H new ATOM 0 HA ARG A 15 2.029 -0.133 13.192 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.722 1.377 11.917 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.993 1.634 10.738 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.597 -0.425 9.662 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.773 -1.109 11.049 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.280 1.152 9.300 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.810 -0.517 9.234 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.982 -0.248 11.282 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.168 2.635 10.350 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.017 3.680 11.495 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.067 1.101 12.750 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.651 2.816 12.847 1.00 0.00 H new ATOM 204 N PRO A 16 3.613 -1.854 12.354 1.00 0.00 N ATOM 205 CA PRO A 16 4.427 -2.957 11.834 1.00 0.00 C ATOM 206 C PRO A 16 3.771 -3.653 10.647 1.00 0.00 C ATOM 207 O PRO A 16 2.674 -4.199 10.764 1.00 0.00 O ATOM 208 CB PRO A 16 4.531 -3.913 13.025 1.00 0.00 C ATOM 209 CG PRO A 16 3.322 -3.626 13.847 1.00 0.00 C ATOM 210 CD PRO A 16 3.045 -2.158 13.678 1.00 0.00 C ATOM 0 HA PRO A 16 5.391 -2.611 11.462 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.550 -4.953 12.698 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.446 -3.741 13.592 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.473 -4.224 13.515 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.495 -3.872 14.895 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.977 -1.944 13.716 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.517 -1.567 14.463 1.00 0.00 H new ATOM 218 N GLY A 17 4.449 -3.630 9.504 1.00 0.00 N ATOM 219 CA GLY A 17 3.916 -4.262 8.312 1.00 0.00 C ATOM 220 C GLY A 17 3.763 -3.291 7.159 1.00 0.00 C ATOM 221 O GLY A 17 4.482 -3.380 6.164 1.00 0.00 O ATOM 0 H GLY A 17 5.359 -3.185 9.382 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.575 -5.077 8.011 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.946 -4.704 8.542 1.00 0.00 H new ATOM 225 N ILE A 18 2.822 -2.362 7.291 1.00 0.00 N ATOM 226 CA ILE A 18 2.576 -1.370 6.251 1.00 0.00 C ATOM 227 C ILE A 18 3.572 -0.219 6.344 1.00 0.00 C ATOM 228 O ILE A 18 3.932 0.220 7.437 1.00 0.00 O ATOM 229 CB ILE A 18 1.146 -0.805 6.339 1.00 0.00 C ATOM 230 CG1 ILE A 18 0.148 -1.928 6.628 1.00 0.00 C ATOM 231 CG2 ILE A 18 0.782 -0.085 5.049 1.00 0.00 C ATOM 232 CD1 ILE A 18 -1.288 -1.457 6.698 1.00 0.00 C ATOM 0 H ILE A 18 2.217 -2.275 8.108 1.00 0.00 H new ATOM 0 HA ILE A 18 2.699 -1.878 5.294 1.00 0.00 H new ATOM 0 HB ILE A 18 1.104 -0.087 7.158 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.235 -2.689 5.852 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.412 -2.404 7.572 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.231 0.309 5.126 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.479 0.736 4.882 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.837 -0.784 4.214 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.940 -2.306 6.906 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.390 -0.718 7.493 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.570 -1.007 5.746 1.00 0.00 H new ATOM 244 N THR A 19 4.014 0.269 5.189 1.00 0.00 N ATOM 245 CA THR A 19 4.967 1.370 5.138 1.00 0.00 C ATOM 246 C THR A 19 4.708 2.267 3.934 1.00 0.00 C ATOM 247 O THR A 19 5.022 1.907 2.799 1.00 0.00 O ATOM 248 CB THR A 19 6.418 0.854 5.077 1.00 0.00 C ATOM 249 OG1 THR A 19 6.740 0.152 6.282 1.00 0.00 O ATOM 250 CG2 THR A 19 7.393 2.005 4.878 1.00 0.00 C ATOM 0 H THR A 19 3.726 -0.082 4.275 1.00 0.00 H new ATOM 0 HA THR A 19 4.832 1.947 6.053 1.00 0.00 H new ATOM 0 HB THR A 19 6.504 0.175 4.229 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.663 -0.174 6.234 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.411 1.617 4.838 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.164 2.519 3.944 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.304 2.705 5.709 1.00 0.00 H new ATOM 258 N PHE A 20 4.133 3.438 4.188 1.00 0.00 N ATOM 259 CA PHE A 20 3.830 4.388 3.123 1.00 0.00 C ATOM 260 C PHE A 20 5.112 4.909 2.479 1.00 0.00 C ATOM 261 O PHE A 20 5.807 5.750 3.048 1.00 0.00 O ATOM 262 CB PHE A 20 3.010 5.558 3.672 1.00 0.00 C ATOM 263 CG PHE A 20 1.948 5.139 4.647 1.00 0.00 C ATOM 264 CD1 PHE A 20 1.139 4.045 4.383 1.00 0.00 C ATOM 265 CD2 PHE A 20 1.758 5.838 5.828 1.00 0.00 C ATOM 266 CE1 PHE A 20 0.159 3.659 5.279 1.00 0.00 C ATOM 267 CE2 PHE A 20 0.781 5.456 6.728 1.00 0.00 C ATOM 268 CZ PHE A 20 -0.019 4.364 6.453 1.00 0.00 C ATOM 0 H PHE A 20 3.868 3.752 5.121 1.00 0.00 H new ATOM 0 HA PHE A 20 3.246 3.869 2.363 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.681 6.265 4.160 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.542 6.085 2.841 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.275 3.488 3.468 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.381 6.692 6.048 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.467 2.806 5.061 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.643 6.010 7.645 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.782 4.062 7.155 1.00 0.00 H new ATOM 278 N GLU A 21 5.417 4.402 1.289 1.00 0.00 N ATOM 279 CA GLU A 21 6.616 4.815 0.568 1.00 0.00 C ATOM 280 C GLU A 21 6.376 4.801 -0.939 1.00 0.00 C ATOM 281 O GLU A 21 5.286 4.463 -1.402 1.00 0.00 O ATOM 282 CB GLU A 21 7.790 3.897 0.917 1.00 0.00 C ATOM 283 CG GLU A 21 8.541 4.320 2.168 1.00 0.00 C ATOM 284 CD GLU A 21 9.869 3.604 2.321 1.00 0.00 C ATOM 285 OE1 GLU A 21 9.975 2.448 1.859 1.00 0.00 O ATOM 286 OE2 GLU A 21 10.801 4.198 2.902 1.00 0.00 O ATOM 0 H GLU A 21 4.851 3.705 0.804 1.00 0.00 H new ATOM 0 HA GLU A 21 6.858 5.834 0.871 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.418 2.881 1.052 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.484 3.873 0.077 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.714 5.396 2.137 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.922 4.121 3.043 1.00 0.00 H new ATOM 293 N ILE A 22 7.402 5.170 -1.699 1.00 0.00 N ATOM 294 CA ILE A 22 7.303 5.200 -3.153 1.00 0.00 C ATOM 295 C ILE A 22 7.701 3.858 -3.758 1.00 0.00 C ATOM 296 O ILE A 22 8.866 3.465 -3.712 1.00 0.00 O ATOM 297 CB ILE A 22 8.191 6.305 -3.755 1.00 0.00 C ATOM 298 CG1 ILE A 22 7.718 7.682 -3.283 1.00 0.00 C ATOM 299 CG2 ILE A 22 8.177 6.226 -5.274 1.00 0.00 C ATOM 300 CD1 ILE A 22 6.238 7.916 -3.488 1.00 0.00 C ATOM 0 H ILE A 22 8.311 5.452 -1.332 1.00 0.00 H new ATOM 0 HA ILE A 22 6.261 5.411 -3.394 1.00 0.00 H new ATOM 0 HB ILE A 22 9.215 6.156 -3.412 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.952 7.794 -2.224 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.276 8.451 -3.816 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.809 7.013 -5.685 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.555 5.254 -5.591 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.157 6.354 -5.636 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.974 8.911 -3.131 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.001 7.836 -4.549 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.671 7.169 -2.932 1.00 0.00 H new ATOM 312 N GLY A 23 6.724 3.159 -4.328 1.00 0.00 N ATOM 313 CA GLY A 23 6.992 1.869 -4.937 1.00 0.00 C ATOM 314 C GLY A 23 6.699 0.714 -4.000 1.00 0.00 C ATOM 315 O GLY A 23 6.835 -0.449 -4.378 1.00 0.00 O ATOM 0 H GLY A 23 5.752 3.463 -4.379 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.388 1.764 -5.838 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.036 1.826 -5.246 1.00 0.00 H new ATOM 319 N ALA A 24 6.297 1.035 -2.775 1.00 0.00 N ATOM 320 CA ALA A 24 5.983 0.015 -1.782 1.00 0.00 C ATOM 321 C ALA A 24 4.751 -0.786 -2.188 1.00 0.00 C ATOM 322 O ALA A 24 3.757 -0.224 -2.648 1.00 0.00 O ATOM 323 CB ALA A 24 5.774 0.654 -0.417 1.00 0.00 C ATOM 0 H ALA A 24 6.181 1.994 -2.446 1.00 0.00 H new ATOM 0 HA ALA A 24 6.827 -0.672 -1.724 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.540 -0.119 0.315 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.683 1.175 -0.116 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.949 1.364 -0.470 1.00 0.00 H new ATOM 329 N ARG A 25 4.824 -2.102 -2.017 1.00 0.00 N ATOM 330 CA ARG A 25 3.715 -2.981 -2.368 1.00 0.00 C ATOM 331 C ARG A 25 2.887 -3.331 -1.134 1.00 0.00 C ATOM 332 O ARG A 25 3.383 -3.960 -0.199 1.00 0.00 O ATOM 333 CB ARG A 25 4.237 -4.260 -3.024 1.00 0.00 C ATOM 334 CG ARG A 25 5.189 -4.005 -4.182 1.00 0.00 C ATOM 335 CD ARG A 25 6.140 -5.173 -4.388 1.00 0.00 C ATOM 336 NE ARG A 25 7.266 -5.133 -3.459 1.00 0.00 N ATOM 337 CZ ARG A 25 8.277 -4.277 -3.565 1.00 0.00 C ATOM 338 NH1 ARG A 25 8.301 -3.395 -4.554 1.00 0.00 N ATOM 339 NH2 ARG A 25 9.265 -4.302 -2.680 1.00 0.00 N ATOM 0 H ARG A 25 5.640 -2.583 -1.638 1.00 0.00 H new ATOM 0 HA ARG A 25 3.076 -2.453 -3.076 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.746 -4.863 -2.272 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.391 -4.846 -3.382 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.617 -3.835 -5.094 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.762 -3.097 -3.991 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.597 -6.109 -4.259 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.514 -5.160 -5.412 1.00 0.00 H new ATOM 0 HE ARG A 25 7.277 -5.799 -2.686 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.543 -3.372 -5.236 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.078 -2.739 -4.633 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.249 -4.979 -1.917 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.040 -3.644 -2.763 1.00 0.00 H new ATOM 353 N LEU A 26 1.625 -2.919 -1.139 1.00 0.00 N ATOM 354 CA LEU A 26 0.728 -3.188 -0.020 1.00 0.00 C ATOM 355 C LEU A 26 -0.670 -3.543 -0.517 1.00 0.00 C ATOM 356 O LEU A 26 -0.931 -3.540 -1.719 1.00 0.00 O ATOM 357 CB LEU A 26 0.658 -1.974 0.907 1.00 0.00 C ATOM 358 CG LEU A 26 0.322 -0.639 0.242 1.00 0.00 C ATOM 359 CD1 LEU A 26 1.515 -0.119 -0.544 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.893 -0.785 -0.663 1.00 0.00 C ATOM 0 H LEU A 26 1.199 -2.397 -1.905 1.00 0.00 H new ATOM 0 HA LEU A 26 1.124 -4.038 0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.089 -2.172 1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.618 -1.873 1.413 1.00 0.00 H new ATOM 0 HG LEU A 26 0.084 0.084 1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.257 0.832 -1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.360 0.025 0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.785 -0.840 -1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.118 0.175 -1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.683 -1.523 -1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.749 -1.112 -0.073 1.00 0.00 H new ATOM 372 N GLU A 27 -1.565 -3.847 0.418 1.00 0.00 N ATOM 373 CA GLU A 27 -2.937 -4.203 0.075 1.00 0.00 C ATOM 374 C GLU A 27 -3.869 -3.007 0.248 1.00 0.00 C ATOM 375 O GLU A 27 -3.644 -2.150 1.101 1.00 0.00 O ATOM 376 CB GLU A 27 -3.418 -5.368 0.942 1.00 0.00 C ATOM 377 CG GLU A 27 -2.659 -6.662 0.699 1.00 0.00 C ATOM 378 CD GLU A 27 -3.094 -7.778 1.629 1.00 0.00 C ATOM 379 OE1 GLU A 27 -2.703 -7.746 2.815 1.00 0.00 O ATOM 380 OE2 GLU A 27 -3.825 -8.681 1.173 1.00 0.00 O ATOM 0 H GLU A 27 -1.365 -3.854 1.418 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.955 -4.507 -0.971 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.322 -5.092 1.992 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.478 -5.537 0.753 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.807 -6.977 -0.334 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.592 -6.482 0.828 1.00 0.00 H new ATOM 387 N ALA A 28 -4.916 -2.958 -0.569 1.00 0.00 N ATOM 388 CA ALA A 28 -5.883 -1.869 -0.506 1.00 0.00 C ATOM 389 C ALA A 28 -7.311 -2.404 -0.474 1.00 0.00 C ATOM 390 O ALA A 28 -7.656 -3.328 -1.213 1.00 0.00 O ATOM 391 CB ALA A 28 -5.697 -0.928 -1.687 1.00 0.00 C ATOM 0 H ALA A 28 -5.116 -3.659 -1.282 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.709 -1.315 0.417 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.426 -0.120 -1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.690 -0.511 -1.665 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.841 -1.478 -2.617 1.00 0.00 H new ATOM 397 N LEU A 29 -8.138 -1.820 0.386 1.00 0.00 N ATOM 398 CA LEU A 29 -9.529 -2.239 0.515 1.00 0.00 C ATOM 399 C LEU A 29 -10.396 -1.586 -0.557 1.00 0.00 C ATOM 400 O LEU A 29 -10.540 -0.363 -0.593 1.00 0.00 O ATOM 401 CB LEU A 29 -10.062 -1.885 1.904 1.00 0.00 C ATOM 402 CG LEU A 29 -11.436 -2.454 2.261 1.00 0.00 C ATOM 403 CD1 LEU A 29 -11.349 -3.954 2.491 1.00 0.00 C ATOM 404 CD2 LEU A 29 -11.999 -1.756 3.490 1.00 0.00 C ATOM 0 H LEU A 29 -7.869 -1.055 1.004 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.571 -3.320 0.381 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.343 -2.232 2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.108 -0.799 1.988 1.00 0.00 H new ATOM 0 HG LEU A 29 -12.111 -2.274 1.424 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -12.336 -4.341 2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.990 -4.441 1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.659 -4.157 3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.977 -2.174 3.730 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.325 -1.904 4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -12.099 -0.689 3.289 1.00 0.00 H new ATOM 416 N ASP A 30 -10.972 -2.408 -1.427 1.00 0.00 N ATOM 417 CA ASP A 30 -11.828 -1.911 -2.498 1.00 0.00 C ATOM 418 C ASP A 30 -13.201 -1.522 -1.960 1.00 0.00 C ATOM 419 O ASP A 30 -13.582 -1.917 -0.858 1.00 0.00 O ATOM 420 CB ASP A 30 -11.976 -2.967 -3.593 1.00 0.00 C ATOM 421 CG ASP A 30 -10.749 -3.059 -4.479 1.00 0.00 C ATOM 422 OD1 ASP A 30 -10.683 -2.315 -5.480 1.00 0.00 O ATOM 423 OD2 ASP A 30 -9.854 -3.875 -4.172 1.00 0.00 O ATOM 0 H ASP A 30 -10.862 -3.422 -1.412 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.359 -1.023 -2.922 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.163 -3.938 -3.134 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -12.846 -2.731 -4.206 1.00 0.00 H new ATOM 428 N TYR A 31 -13.940 -0.745 -2.744 1.00 0.00 N ATOM 429 CA TYR A 31 -15.270 -0.300 -2.345 1.00 0.00 C ATOM 430 C TYR A 31 -16.141 -1.484 -1.937 1.00 0.00 C ATOM 431 O TYR A 31 -17.099 -1.333 -1.178 1.00 0.00 O ATOM 432 CB TYR A 31 -15.936 0.469 -3.487 1.00 0.00 C ATOM 433 CG TYR A 31 -15.650 -0.108 -4.855 1.00 0.00 C ATOM 434 CD1 TYR A 31 -14.537 0.297 -5.582 1.00 0.00 C ATOM 435 CD2 TYR A 31 -16.492 -1.058 -5.420 1.00 0.00 C ATOM 436 CE1 TYR A 31 -14.272 -0.227 -6.832 1.00 0.00 C ATOM 437 CE2 TYR A 31 -16.233 -1.588 -6.669 1.00 0.00 C ATOM 438 CZ TYR A 31 -15.122 -1.170 -7.371 1.00 0.00 C ATOM 439 OH TYR A 31 -14.862 -1.695 -8.616 1.00 0.00 O ATOM 0 H TYR A 31 -13.640 -0.410 -3.660 1.00 0.00 H new ATOM 0 HA TYR A 31 -15.162 0.361 -1.485 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -17.014 0.481 -3.325 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -15.598 1.505 -3.461 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -13.868 1.034 -5.162 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -17.363 -1.387 -4.874 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -13.404 0.100 -7.385 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -16.897 -2.326 -7.094 1.00 0.00 H new ATOM 0 HH TYR A 31 -15.556 -2.347 -8.848 1.00 0.00 H new ATOM 449 N LEU A 32 -15.801 -2.663 -2.447 1.00 0.00 N ATOM 450 CA LEU A 32 -16.551 -3.875 -2.136 1.00 0.00 C ATOM 451 C LEU A 32 -15.989 -4.559 -0.894 1.00 0.00 C ATOM 452 O LEU A 32 -16.265 -5.732 -0.643 1.00 0.00 O ATOM 453 CB LEU A 32 -16.516 -4.838 -3.324 1.00 0.00 C ATOM 454 CG LEU A 32 -17.115 -4.316 -4.630 1.00 0.00 C ATOM 455 CD1 LEU A 32 -16.787 -5.255 -5.781 1.00 0.00 C ATOM 456 CD2 LEU A 32 -18.621 -4.143 -4.494 1.00 0.00 C ATOM 0 H LEU A 32 -15.012 -2.805 -3.077 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.585 -3.593 -1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -15.479 -5.117 -3.509 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.045 -5.749 -3.043 1.00 0.00 H new ATOM 0 HG LEU A 32 -16.675 -3.342 -4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.222 -4.867 -6.702 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.705 -5.329 -5.893 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.199 -6.243 -5.573 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -19.031 -3.771 -5.433 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -19.077 -5.103 -4.254 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -18.835 -3.431 -3.697 1.00 0.00 H new ATOM 468 N GLN A 33 -15.203 -3.818 -0.121 1.00 0.00 N ATOM 469 CA GLN A 33 -14.604 -4.354 1.096 1.00 0.00 C ATOM 470 C GLN A 33 -13.697 -5.538 0.780 1.00 0.00 C ATOM 471 O GLN A 33 -13.482 -6.411 1.621 1.00 0.00 O ATOM 472 CB GLN A 33 -15.694 -4.780 2.081 1.00 0.00 C ATOM 473 CG GLN A 33 -16.582 -3.634 2.539 1.00 0.00 C ATOM 474 CD GLN A 33 -17.208 -3.886 3.896 1.00 0.00 C ATOM 475 OE1 GLN A 33 -16.840 -4.831 4.596 1.00 0.00 O ATOM 476 NE2 GLN A 33 -18.158 -3.041 4.277 1.00 0.00 N ATOM 0 H GLN A 33 -14.966 -2.845 -0.315 1.00 0.00 H new ATOM 0 HA GLN A 33 -14.000 -3.568 1.550 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -16.314 -5.545 1.615 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -15.226 -5.237 2.953 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -15.993 -2.717 2.579 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -17.371 -3.474 1.804 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -18.432 -2.272 3.665 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -18.614 -3.161 5.181 1.00 0.00 H new ATOM 485 N LYS A 34 -13.167 -5.562 -0.438 1.00 0.00 N ATOM 486 CA LYS A 34 -12.281 -6.639 -0.866 1.00 0.00 C ATOM 487 C LYS A 34 -10.819 -6.235 -0.709 1.00 0.00 C ATOM 488 O LYS A 34 -10.479 -5.055 -0.789 1.00 0.00 O ATOM 489 CB LYS A 34 -12.565 -7.011 -2.324 1.00 0.00 C ATOM 490 CG LYS A 34 -14.041 -7.199 -2.627 1.00 0.00 C ATOM 491 CD LYS A 34 -14.491 -8.623 -2.350 1.00 0.00 C ATOM 492 CE LYS A 34 -16.005 -8.752 -2.412 1.00 0.00 C ATOM 493 NZ LYS A 34 -16.442 -10.175 -2.393 1.00 0.00 N ATOM 0 H LYS A 34 -13.335 -4.848 -1.147 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.470 -7.506 -0.232 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -12.166 -6.232 -2.973 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.033 -7.931 -2.566 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.628 -6.507 -2.023 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.233 -6.953 -3.671 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -14.037 -9.297 -3.077 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -14.139 -8.932 -1.366 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.449 -8.225 -1.568 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -16.374 -8.271 -3.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -17.480 -10.220 -2.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -16.039 -10.673 -3.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -16.112 -10.628 -1.517 1.00 0.00 H new ATOM 507 N TRP A 35 -9.958 -7.222 -0.487 1.00 0.00 N ATOM 508 CA TRP A 35 -8.532 -6.969 -0.320 1.00 0.00 C ATOM 509 C TRP A 35 -7.752 -7.417 -1.551 1.00 0.00 C ATOM 510 O TRP A 35 -8.045 -8.458 -2.138 1.00 0.00 O ATOM 511 CB TRP A 35 -8.006 -7.691 0.922 1.00 0.00 C ATOM 512 CG TRP A 35 -8.679 -7.258 2.190 1.00 0.00 C ATOM 513 CD1 TRP A 35 -9.586 -7.970 2.921 1.00 0.00 C ATOM 514 CD2 TRP A 35 -8.497 -6.013 2.874 1.00 0.00 C ATOM 515 NE1 TRP A 35 -9.980 -7.243 4.018 1.00 0.00 N ATOM 516 CE2 TRP A 35 -9.326 -6.039 4.013 1.00 0.00 C ATOM 517 CE3 TRP A 35 -7.714 -4.881 2.636 1.00 0.00 C ATOM 518 CZ2 TRP A 35 -9.393 -4.976 4.909 1.00 0.00 C ATOM 519 CZ3 TRP A 35 -7.782 -3.826 3.527 1.00 0.00 C ATOM 520 CH2 TRP A 35 -8.616 -3.879 4.652 1.00 0.00 C ATOM 0 H TRP A 35 -10.223 -8.205 -0.419 1.00 0.00 H new ATOM 0 HA TRP A 35 -8.392 -5.895 -0.194 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.143 -8.765 0.795 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.934 -7.515 1.009 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.941 -8.959 2.673 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -10.651 -7.550 4.722 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -7.068 -4.831 1.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -10.035 -5.015 5.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -7.182 -2.945 3.353 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -8.646 -3.038 5.329 1.00 0.00 H new ATOM 531 N TYR A 36 -6.758 -6.625 -1.936 1.00 0.00 N ATOM 532 CA TYR A 36 -5.937 -6.939 -3.100 1.00 0.00 C ATOM 533 C TYR A 36 -4.601 -6.204 -3.039 1.00 0.00 C ATOM 534 O TYR A 36 -4.469 -5.154 -2.409 1.00 0.00 O ATOM 535 CB TYR A 36 -6.677 -6.570 -4.387 1.00 0.00 C ATOM 536 CG TYR A 36 -7.846 -7.479 -4.695 1.00 0.00 C ATOM 537 CD1 TYR A 36 -7.651 -8.714 -5.300 1.00 0.00 C ATOM 538 CD2 TYR A 36 -9.145 -7.102 -4.379 1.00 0.00 C ATOM 539 CE1 TYR A 36 -8.716 -9.546 -5.584 1.00 0.00 C ATOM 540 CE2 TYR A 36 -10.217 -7.928 -4.657 1.00 0.00 C ATOM 541 CZ TYR A 36 -9.997 -9.149 -5.260 1.00 0.00 C ATOM 542 OH TYR A 36 -11.060 -9.976 -5.540 1.00 0.00 O ATOM 0 H TYR A 36 -6.501 -5.761 -1.459 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.741 -8.011 -3.096 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.036 -5.544 -4.308 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -5.975 -6.599 -5.221 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.649 -9.029 -5.553 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.320 -6.146 -3.908 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.547 -10.502 -6.057 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.221 -7.620 -4.404 1.00 0.00 H new ATOM 0 HH TYR A 36 -11.892 -9.549 -5.248 1.00 0.00 H new ATOM 552 N PRO A 37 -3.586 -6.767 -3.711 1.00 0.00 N ATOM 553 CA PRO A 37 -2.242 -6.182 -3.750 1.00 0.00 C ATOM 554 C PRO A 37 -2.195 -4.894 -4.564 1.00 0.00 C ATOM 555 O PRO A 37 -2.943 -4.729 -5.528 1.00 0.00 O ATOM 556 CB PRO A 37 -1.402 -7.271 -4.422 1.00 0.00 C ATOM 557 CG PRO A 37 -2.374 -8.049 -5.241 1.00 0.00 C ATOM 558 CD PRO A 37 -3.672 -8.018 -4.483 1.00 0.00 C ATOM 0 HA PRO A 37 -1.888 -5.904 -2.757 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.618 -6.839 -5.043 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.911 -7.904 -3.683 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.490 -7.609 -6.232 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.031 -9.073 -5.385 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.530 -8.017 -5.155 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.778 -8.886 -3.832 1.00 0.00 H new ATOM 566 N SER A 38 -1.310 -3.983 -4.171 1.00 0.00 N ATOM 567 CA SER A 38 -1.167 -2.708 -4.863 1.00 0.00 C ATOM 568 C SER A 38 0.189 -2.076 -4.564 1.00 0.00 C ATOM 569 O SER A 38 0.954 -2.581 -3.741 1.00 0.00 O ATOM 570 CB SER A 38 -2.289 -1.752 -4.452 1.00 0.00 C ATOM 571 OG SER A 38 -3.540 -2.188 -4.954 1.00 0.00 O ATOM 0 H SER A 38 -0.681 -4.105 -3.377 1.00 0.00 H new ATOM 0 HA SER A 38 -1.233 -2.895 -5.935 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.333 -1.684 -3.365 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.073 -0.751 -4.825 1.00 0.00 H new ATOM 0 HG SER A 38 -3.410 -2.984 -5.511 1.00 0.00 H new ATOM 577 N ARG A 39 0.481 -0.969 -5.238 1.00 0.00 N ATOM 578 CA ARG A 39 1.745 -0.269 -5.047 1.00 0.00 C ATOM 579 C ARG A 39 1.519 1.235 -4.913 1.00 0.00 C ATOM 580 O ARG A 39 0.451 1.744 -5.252 1.00 0.00 O ATOM 581 CB ARG A 39 2.692 -0.551 -6.215 1.00 0.00 C ATOM 582 CG ARG A 39 3.599 -1.749 -5.988 1.00 0.00 C ATOM 583 CD ARG A 39 4.703 -1.817 -7.032 1.00 0.00 C ATOM 584 NE ARG A 39 4.281 -2.540 -8.229 1.00 0.00 N ATOM 585 CZ ARG A 39 5.123 -2.980 -9.157 1.00 0.00 C ATOM 586 NH1 ARG A 39 6.426 -2.772 -9.027 1.00 0.00 N ATOM 587 NH2 ARG A 39 4.662 -3.630 -10.218 1.00 0.00 N ATOM 0 H ARG A 39 -0.141 -0.537 -5.922 1.00 0.00 H new ATOM 0 HA ARG A 39 2.198 -0.635 -4.125 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.103 -0.718 -7.117 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.307 0.331 -6.394 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.041 -1.689 -4.993 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.009 -2.665 -6.020 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.005 -0.806 -7.307 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.578 -2.306 -6.603 1.00 0.00 H new ATOM 0 HE ARG A 39 3.285 -2.717 -8.359 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.784 -2.273 -8.213 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.070 -3.111 -9.741 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.660 -3.792 -10.321 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.309 -3.968 -10.930 1.00 0.00 H new ATOM 601 N ILE A 40 2.531 1.938 -4.417 1.00 0.00 N ATOM 602 CA ILE A 40 2.443 3.382 -4.239 1.00 0.00 C ATOM 603 C ILE A 40 3.219 4.118 -5.326 1.00 0.00 C ATOM 604 O ILE A 40 4.446 4.194 -5.282 1.00 0.00 O ATOM 605 CB ILE A 40 2.977 3.814 -2.861 1.00 0.00 C ATOM 606 CG1 ILE A 40 2.004 3.392 -1.758 1.00 0.00 C ATOM 607 CG2 ILE A 40 3.204 5.317 -2.828 1.00 0.00 C ATOM 608 CD1 ILE A 40 2.621 3.388 -0.377 1.00 0.00 C ATOM 0 H ILE A 40 3.422 1.531 -4.131 1.00 0.00 H new ATOM 0 HA ILE A 40 1.387 3.644 -4.308 1.00 0.00 H new ATOM 0 HB ILE A 40 3.932 3.319 -2.686 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.148 4.066 -1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.625 2.394 -1.981 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.581 5.607 -1.847 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.931 5.592 -3.592 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.263 5.831 -3.021 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.874 3.079 0.354 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.460 2.692 -0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.975 4.390 -0.134 1.00 0.00 H new ATOM 620 N GLU A 41 2.494 4.660 -6.299 1.00 0.00 N ATOM 621 CA GLU A 41 3.115 5.392 -7.397 1.00 0.00 C ATOM 622 C GLU A 41 3.648 6.740 -6.920 1.00 0.00 C ATOM 623 O GLU A 41 4.750 7.150 -7.285 1.00 0.00 O ATOM 624 CB GLU A 41 2.111 5.601 -8.532 1.00 0.00 C ATOM 625 CG GLU A 41 1.872 4.357 -9.371 1.00 0.00 C ATOM 626 CD GLU A 41 2.882 4.207 -10.493 1.00 0.00 C ATOM 627 OE1 GLU A 41 3.484 5.227 -10.889 1.00 0.00 O ATOM 628 OE2 GLU A 41 3.070 3.070 -10.974 1.00 0.00 O ATOM 0 H GLU A 41 1.477 4.606 -6.350 1.00 0.00 H new ATOM 0 HA GLU A 41 3.952 4.800 -7.767 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.162 5.932 -8.110 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.469 6.402 -9.179 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.914 3.477 -8.729 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.868 4.396 -9.794 1.00 0.00 H new ATOM 635 N LYS A 42 2.858 7.426 -6.101 1.00 0.00 N ATOM 636 CA LYS A 42 3.248 8.727 -5.572 1.00 0.00 C ATOM 637 C LYS A 42 2.678 8.939 -4.173 1.00 0.00 C ATOM 638 O LYS A 42 1.823 8.178 -3.719 1.00 0.00 O ATOM 639 CB LYS A 42 2.771 9.843 -6.503 1.00 0.00 C ATOM 640 CG LYS A 42 3.446 9.830 -7.864 1.00 0.00 C ATOM 641 CD LYS A 42 2.599 10.531 -8.913 1.00 0.00 C ATOM 642 CE LYS A 42 3.135 10.288 -10.315 1.00 0.00 C ATOM 643 NZ LYS A 42 2.287 10.937 -11.354 1.00 0.00 N ATOM 0 H LYS A 42 1.943 7.102 -5.789 1.00 0.00 H new ATOM 0 HA LYS A 42 4.336 8.754 -5.510 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.693 9.754 -6.640 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.953 10.806 -6.026 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.418 10.319 -7.794 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.628 8.800 -8.171 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.571 10.176 -8.849 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.579 11.602 -8.710 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.153 10.671 -10.386 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.184 9.216 -10.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.686 10.748 -12.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.322 10.553 -11.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.261 11.964 -11.189 1.00 0.00 H new ATOM 657 N ILE A 43 3.155 9.977 -3.495 1.00 0.00 N ATOM 658 CA ILE A 43 2.691 10.290 -2.150 1.00 0.00 C ATOM 659 C ILE A 43 2.661 11.796 -1.914 1.00 0.00 C ATOM 660 O ILE A 43 3.679 12.476 -2.049 1.00 0.00 O ATOM 661 CB ILE A 43 3.581 9.631 -1.079 1.00 0.00 C ATOM 662 CG1 ILE A 43 3.483 8.107 -1.170 1.00 0.00 C ATOM 663 CG2 ILE A 43 3.184 10.111 0.309 1.00 0.00 C ATOM 664 CD1 ILE A 43 4.492 7.384 -0.306 1.00 0.00 C ATOM 0 H ILE A 43 3.863 10.616 -3.856 1.00 0.00 H new ATOM 0 HA ILE A 43 1.680 9.892 -2.065 1.00 0.00 H new ATOM 0 HB ILE A 43 4.616 9.921 -1.260 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.479 7.798 -0.879 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.622 7.803 -2.208 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.822 9.636 1.054 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.301 11.193 0.367 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.144 9.848 0.501 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.364 6.308 -0.421 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.500 7.664 -0.612 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.340 7.658 0.738 1.00 0.00 H new ATOM 676 N ASP A 44 1.489 12.311 -1.560 1.00 0.00 N ATOM 677 CA ASP A 44 1.327 13.737 -1.303 1.00 0.00 C ATOM 678 C ASP A 44 1.286 14.018 0.196 1.00 0.00 C ATOM 679 O ASP A 44 0.297 13.720 0.867 1.00 0.00 O ATOM 680 CB ASP A 44 0.050 14.255 -1.966 1.00 0.00 C ATOM 681 CG ASP A 44 0.047 15.764 -2.118 1.00 0.00 C ATOM 682 OD1 ASP A 44 0.685 16.445 -1.288 1.00 0.00 O ATOM 683 OD2 ASP A 44 -0.592 16.263 -3.067 1.00 0.00 O ATOM 0 H ASP A 44 0.637 11.762 -1.444 1.00 0.00 H new ATOM 0 HA ASP A 44 2.185 14.257 -1.729 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.059 13.794 -2.948 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.813 13.951 -1.373 1.00 0.00 H new ATOM 688 N TYR A 45 2.366 14.591 0.716 1.00 0.00 N ATOM 689 CA TYR A 45 2.455 14.908 2.136 1.00 0.00 C ATOM 690 C TYR A 45 1.766 16.234 2.442 1.00 0.00 C ATOM 691 O TYR A 45 1.285 16.453 3.553 1.00 0.00 O ATOM 692 CB TYR A 45 3.919 14.967 2.576 1.00 0.00 C ATOM 693 CG TYR A 45 4.567 13.607 2.706 1.00 0.00 C ATOM 694 CD1 TYR A 45 4.734 12.786 1.598 1.00 0.00 C ATOM 695 CD2 TYR A 45 5.015 13.145 3.937 1.00 0.00 C ATOM 696 CE1 TYR A 45 5.325 11.543 1.712 1.00 0.00 C ATOM 697 CE2 TYR A 45 5.609 11.903 4.061 1.00 0.00 C ATOM 698 CZ TYR A 45 5.761 11.106 2.946 1.00 0.00 C ATOM 699 OH TYR A 45 6.352 9.869 3.064 1.00 0.00 O ATOM 0 H TYR A 45 3.192 14.845 0.175 1.00 0.00 H new ATOM 0 HA TYR A 45 1.947 14.119 2.691 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.482 15.561 1.857 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.981 15.483 3.534 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.396 13.126 0.630 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.897 13.767 4.812 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.445 10.917 0.840 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.952 11.559 5.026 1.00 0.00 H new ATOM 0 HH TYR A 45 6.603 9.714 3.999 1.00 0.00 H new ATOM 709 N GLU A 46 1.723 17.115 1.447 1.00 0.00 N ATOM 710 CA GLU A 46 1.093 18.420 1.610 1.00 0.00 C ATOM 711 C GLU A 46 -0.423 18.284 1.708 1.00 0.00 C ATOM 712 O GLU A 46 -1.081 19.050 2.411 1.00 0.00 O ATOM 713 CB GLU A 46 1.460 19.337 0.441 1.00 0.00 C ATOM 714 CG GLU A 46 2.733 20.135 0.670 1.00 0.00 C ATOM 715 CD GLU A 46 2.560 21.224 1.710 1.00 0.00 C ATOM 716 OE1 GLU A 46 1.602 22.015 1.586 1.00 0.00 O ATOM 717 OE2 GLU A 46 3.382 21.285 2.648 1.00 0.00 O ATOM 0 H GLU A 46 2.116 16.949 0.521 1.00 0.00 H new ATOM 0 HA GLU A 46 1.461 18.860 2.537 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.576 18.735 -0.460 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.636 20.027 0.259 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.529 19.460 0.985 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.050 20.584 -0.271 1.00 0.00 H new ATOM 724 N GLU A 47 -0.971 17.303 0.996 1.00 0.00 N ATOM 725 CA GLU A 47 -2.410 17.068 1.002 1.00 0.00 C ATOM 726 C GLU A 47 -2.780 15.986 2.012 1.00 0.00 C ATOM 727 O GLU A 47 -3.747 16.125 2.760 1.00 0.00 O ATOM 728 CB GLU A 47 -2.888 16.662 -0.394 1.00 0.00 C ATOM 729 CG GLU A 47 -3.077 17.838 -1.338 1.00 0.00 C ATOM 730 CD GLU A 47 -3.802 18.999 -0.685 1.00 0.00 C ATOM 731 OE1 GLU A 47 -4.907 18.780 -0.146 1.00 0.00 O ATOM 732 OE2 GLU A 47 -3.264 20.126 -0.713 1.00 0.00 O ATOM 0 H GLU A 47 -0.440 16.659 0.409 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.903 17.996 1.292 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.167 15.970 -0.829 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.832 16.124 -0.304 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.103 18.175 -1.692 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.638 17.510 -2.213 1.00 0.00 H new ATOM 739 N GLY A 48 -2.004 14.907 2.027 1.00 0.00 N ATOM 740 CA GLY A 48 -2.266 13.816 2.948 1.00 0.00 C ATOM 741 C GLY A 48 -2.792 12.579 2.247 1.00 0.00 C ATOM 742 O GLY A 48 -3.517 11.781 2.841 1.00 0.00 O ATOM 0 H GLY A 48 -1.198 14.769 1.417 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.348 13.566 3.480 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.989 14.141 3.696 1.00 0.00 H new ATOM 746 N LYS A 49 -2.429 12.420 0.979 1.00 0.00 N ATOM 747 CA LYS A 49 -2.869 11.272 0.195 1.00 0.00 C ATOM 748 C LYS A 49 -1.696 10.634 -0.541 1.00 0.00 C ATOM 749 O LYS A 49 -0.549 11.050 -0.379 1.00 0.00 O ATOM 750 CB LYS A 49 -3.945 11.696 -0.808 1.00 0.00 C ATOM 751 CG LYS A 49 -3.530 12.862 -1.689 1.00 0.00 C ATOM 752 CD LYS A 49 -4.413 12.973 -2.920 1.00 0.00 C ATOM 753 CE LYS A 49 -3.838 13.953 -3.932 1.00 0.00 C ATOM 754 NZ LYS A 49 -4.179 15.363 -3.594 1.00 0.00 N ATOM 0 H LYS A 49 -1.831 13.072 0.472 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.289 10.535 0.880 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.196 10.845 -1.441 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.850 11.966 -0.264 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.584 13.788 -1.117 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.492 12.736 -1.995 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.520 11.992 -3.382 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.411 13.297 -2.625 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.755 13.841 -3.971 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.219 13.715 -4.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.451 15.998 -3.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.102 15.605 -4.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.222 15.472 -2.561 1.00 0.00 H new ATOM 768 N MET A 50 -1.991 9.622 -1.351 1.00 0.00 N ATOM 769 CA MET A 50 -0.960 8.928 -2.113 1.00 0.00 C ATOM 770 C MET A 50 -1.565 8.198 -3.308 1.00 0.00 C ATOM 771 O MET A 50 -2.676 7.672 -3.229 1.00 0.00 O ATOM 772 CB MET A 50 -0.214 7.936 -1.219 1.00 0.00 C ATOM 773 CG MET A 50 -1.085 7.323 -0.134 1.00 0.00 C ATOM 774 SD MET A 50 -0.325 5.879 0.634 1.00 0.00 S ATOM 775 CE MET A 50 -1.659 4.690 0.515 1.00 0.00 C ATOM 0 H MET A 50 -2.935 9.265 -1.496 1.00 0.00 H new ATOM 0 HA MET A 50 -0.255 9.673 -2.483 1.00 0.00 H new ATOM 0 HB2 MET A 50 0.196 7.138 -1.838 1.00 0.00 H new ATOM 0 HB3 MET A 50 0.630 8.443 -0.752 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.287 8.073 0.631 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.046 7.038 -0.563 1.00 0.00 H new ATOM 0 HE1 MET A 50 -1.330 3.732 0.917 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.517 5.047 1.085 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.944 4.566 -0.530 1.00 0.00 H new ATOM 785 N LEU A 51 -0.830 8.171 -4.414 1.00 0.00 N ATOM 786 CA LEU A 51 -1.295 7.505 -5.626 1.00 0.00 C ATOM 787 C LEU A 51 -0.984 6.013 -5.581 1.00 0.00 C ATOM 788 O LEU A 51 0.171 5.605 -5.698 1.00 0.00 O ATOM 789 CB LEU A 51 -0.645 8.136 -6.859 1.00 0.00 C ATOM 790 CG LEU A 51 -1.450 8.055 -8.157 1.00 0.00 C ATOM 791 CD1 LEU A 51 -0.565 8.369 -9.353 1.00 0.00 C ATOM 792 CD2 LEU A 51 -2.083 6.679 -8.306 1.00 0.00 C ATOM 0 H LEU A 51 0.091 8.603 -4.497 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.376 7.630 -5.688 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.446 9.186 -6.643 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.320 7.656 -7.023 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.247 8.797 -8.116 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.154 8.307 -10.268 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.159 9.375 -9.251 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.253 7.650 -9.399 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.652 6.639 -9.235 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.302 5.919 -8.326 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.749 6.492 -7.464 1.00 0.00 H new ATOM 804 N VAL A 52 -2.024 5.202 -5.412 1.00 0.00 N ATOM 805 CA VAL A 52 -1.863 3.754 -5.355 1.00 0.00 C ATOM 806 C VAL A 52 -2.482 3.084 -6.577 1.00 0.00 C ATOM 807 O VAL A 52 -3.591 3.424 -6.990 1.00 0.00 O ATOM 808 CB VAL A 52 -2.502 3.168 -4.083 1.00 0.00 C ATOM 809 CG1 VAL A 52 -3.993 3.469 -4.046 1.00 0.00 C ATOM 810 CG2 VAL A 52 -2.251 1.670 -4.002 1.00 0.00 C ATOM 0 H VAL A 52 -2.987 5.523 -5.312 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.791 3.555 -5.339 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.039 3.639 -3.216 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.427 3.047 -3.140 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.147 4.548 -4.053 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.475 3.028 -4.919 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.710 1.273 -3.097 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.685 1.181 -4.874 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.178 1.482 -3.978 1.00 0.00 H new ATOM 820 N HIS A 53 -1.758 2.128 -7.151 1.00 0.00 N ATOM 821 CA HIS A 53 -2.236 1.408 -8.326 1.00 0.00 C ATOM 822 C HIS A 53 -2.636 -0.019 -7.963 1.00 0.00 C ATOM 823 O HIS A 53 -2.015 -0.650 -7.107 1.00 0.00 O ATOM 824 CB HIS A 53 -1.160 1.389 -9.412 1.00 0.00 C ATOM 825 CG HIS A 53 -0.289 0.171 -9.370 1.00 0.00 C ATOM 826 ND1 HIS A 53 -0.750 -1.095 -9.661 1.00 0.00 N ATOM 827 CD2 HIS A 53 1.024 0.032 -9.070 1.00 0.00 C ATOM 828 CE1 HIS A 53 0.240 -1.961 -9.541 1.00 0.00 C ATOM 829 NE2 HIS A 53 1.328 -1.302 -9.183 1.00 0.00 N ATOM 0 H HIS A 53 -0.838 1.834 -6.822 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.116 1.927 -8.707 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -1.640 1.449 -10.389 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.535 2.276 -9.309 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -1.707 -1.327 -9.928 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.705 0.823 -8.793 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.172 -3.026 -9.707 1.00 0.00 H new ATOM 1005 N GLU A 63 -5.451 4.965 -8.484 1.00 0.00 N ATOM 1006 CA GLU A 63 -6.383 5.795 -7.730 1.00 0.00 C ATOM 1007 C GLU A 63 -5.750 6.281 -6.429 1.00 0.00 C ATOM 1008 O GLU A 63 -5.198 5.491 -5.662 1.00 0.00 O ATOM 1009 CB GLU A 63 -7.664 5.015 -7.426 1.00 0.00 C ATOM 1010 CG GLU A 63 -8.562 5.692 -6.405 1.00 0.00 C ATOM 1011 CD GLU A 63 -9.926 5.039 -6.302 1.00 0.00 C ATOM 1012 OE1 GLU A 63 -10.422 4.535 -7.331 1.00 0.00 O ATOM 1013 OE2 GLU A 63 -10.497 5.031 -5.191 1.00 0.00 O ATOM 0 HA GLU A 63 -6.631 6.664 -8.340 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.222 4.875 -8.352 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.397 4.023 -7.061 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.078 5.668 -5.429 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.685 6.741 -6.674 1.00 0.00 H new ATOM 1020 N TRP A 64 -5.834 7.584 -6.189 1.00 0.00 N ATOM 1021 CA TRP A 64 -5.268 8.176 -4.981 1.00 0.00 C ATOM 1022 C TRP A 64 -6.070 7.771 -3.750 1.00 0.00 C ATOM 1023 O TRP A 64 -7.299 7.853 -3.743 1.00 0.00 O ATOM 1024 CB TRP A 64 -5.234 9.700 -5.104 1.00 0.00 C ATOM 1025 CG TRP A 64 -4.228 10.193 -6.100 1.00 0.00 C ATOM 1026 CD1 TRP A 64 -4.398 10.302 -7.451 1.00 0.00 C ATOM 1027 CD2 TRP A 64 -2.897 10.642 -5.824 1.00 0.00 C ATOM 1028 NE1 TRP A 64 -3.253 10.792 -8.031 1.00 0.00 N ATOM 1029 CE2 TRP A 64 -2.317 11.009 -7.054 1.00 0.00 C ATOM 1030 CE3 TRP A 64 -2.139 10.771 -4.657 1.00 0.00 C ATOM 1031 CZ2 TRP A 64 -1.016 11.495 -7.147 1.00 0.00 C ATOM 1032 CZ3 TRP A 64 -0.848 11.253 -4.751 1.00 0.00 C ATOM 1033 CH2 TRP A 64 -0.297 11.611 -5.989 1.00 0.00 C ATOM 0 H TRP A 64 -6.288 8.251 -6.813 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.250 7.805 -4.866 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.223 10.056 -5.391 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -5.010 10.131 -4.128 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.300 10.041 -7.985 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.121 10.966 -9.027 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.555 10.499 -3.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -0.589 11.771 -8.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.253 11.356 -3.855 1.00 0.00 H new ATOM 0 HH2 TRP A 64 0.715 11.986 -6.030 1.00 0.00 H new ATOM 1044 N ILE A 65 -5.369 7.334 -2.709 1.00 0.00 N ATOM 1045 CA ILE A 65 -6.017 6.917 -1.472 1.00 0.00 C ATOM 1046 C ILE A 65 -5.340 7.547 -0.259 1.00 0.00 C ATOM 1047 O ILE A 65 -4.119 7.488 -0.115 1.00 0.00 O ATOM 1048 CB ILE A 65 -6.002 5.385 -1.317 1.00 0.00 C ATOM 1049 CG1 ILE A 65 -6.765 4.727 -2.468 1.00 0.00 C ATOM 1050 CG2 ILE A 65 -6.602 4.983 0.022 1.00 0.00 C ATOM 1051 CD1 ILE A 65 -6.790 3.216 -2.390 1.00 0.00 C ATOM 0 H ILE A 65 -4.352 7.260 -2.698 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.051 7.257 -1.526 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.968 5.041 -1.348 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.789 5.100 -2.474 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.311 5.027 -3.413 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.585 3.897 0.117 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.020 5.427 0.830 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.632 5.336 0.080 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.348 2.817 -3.237 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.770 2.833 -2.415 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.271 2.907 -1.462 1.00 0.00 H new ATOM 1063 N TYR A 66 -6.143 8.147 0.613 1.00 0.00 N ATOM 1064 CA TYR A 66 -5.622 8.788 1.815 1.00 0.00 C ATOM 1065 C TYR A 66 -4.816 7.801 2.653 1.00 0.00 C ATOM 1066 O TYR A 66 -5.352 6.814 3.157 1.00 0.00 O ATOM 1067 CB TYR A 66 -6.768 9.365 2.648 1.00 0.00 C ATOM 1068 CG TYR A 66 -7.372 10.620 2.061 1.00 0.00 C ATOM 1069 CD1 TYR A 66 -6.564 11.639 1.570 1.00 0.00 C ATOM 1070 CD2 TYR A 66 -8.749 10.789 1.997 1.00 0.00 C ATOM 1071 CE1 TYR A 66 -7.110 12.788 1.033 1.00 0.00 C ATOM 1072 CE2 TYR A 66 -9.305 11.934 1.460 1.00 0.00 C ATOM 1073 CZ TYR A 66 -8.481 12.931 0.980 1.00 0.00 C ATOM 1074 OH TYR A 66 -9.031 14.074 0.446 1.00 0.00 O ATOM 0 H TYR A 66 -7.156 8.203 0.510 1.00 0.00 H new ATOM 0 HA TYR A 66 -4.962 9.599 1.507 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.548 8.610 2.750 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.402 9.583 3.651 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.490 11.530 1.609 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -9.397 10.011 2.374 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.467 13.570 0.657 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.378 12.048 1.416 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.009 14.015 0.483 1.00 0.00 H new ATOM 1084 N TRP A 67 -3.525 8.075 2.799 1.00 0.00 N ATOM 1085 CA TRP A 67 -2.643 7.212 3.577 1.00 0.00 C ATOM 1086 C TRP A 67 -3.105 7.127 5.027 1.00 0.00 C ATOM 1087 O TRP A 67 -2.589 6.326 5.807 1.00 0.00 O ATOM 1088 CB TRP A 67 -1.205 7.731 3.517 1.00 0.00 C ATOM 1089 CG TRP A 67 -1.082 9.182 3.868 1.00 0.00 C ATOM 1090 CD1 TRP A 67 -2.102 10.053 4.123 1.00 0.00 C ATOM 1091 CD2 TRP A 67 0.131 9.932 4.000 1.00 0.00 C ATOM 1092 NE1 TRP A 67 -1.597 11.299 4.407 1.00 0.00 N ATOM 1093 CE2 TRP A 67 -0.230 11.251 4.339 1.00 0.00 C ATOM 1094 CE3 TRP A 67 1.486 9.617 3.868 1.00 0.00 C ATOM 1095 CZ2 TRP A 67 0.717 12.252 4.545 1.00 0.00 C ATOM 1096 CZ3 TRP A 67 2.424 10.611 4.073 1.00 0.00 C ATOM 1097 CH2 TRP A 67 2.036 11.915 4.409 1.00 0.00 C ATOM 0 H TRP A 67 -3.065 8.888 2.389 1.00 0.00 H new ATOM 0 HA TRP A 67 -2.680 6.212 3.144 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.587 7.146 4.198 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -0.811 7.573 2.513 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -3.152 9.800 4.104 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -2.151 12.126 4.632 1.00 0.00 H new ATOM 0 HE3 TRP A 67 1.795 8.615 3.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 0.420 13.258 4.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 3.474 10.379 3.973 1.00 0.00 H new ATOM 0 HH2 TRP A 67 2.793 12.669 4.564 1.00 0.00 H new ATOM 1108 N ASP A 68 -4.080 7.957 5.382 1.00 0.00 N ATOM 1109 CA ASP A 68 -4.613 7.973 6.740 1.00 0.00 C ATOM 1110 C ASP A 68 -6.033 7.417 6.773 1.00 0.00 C ATOM 1111 O ASP A 68 -6.798 7.696 7.696 1.00 0.00 O ATOM 1112 CB ASP A 68 -4.596 9.397 7.299 1.00 0.00 C ATOM 1113 CG ASP A 68 -5.265 9.493 8.657 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -4.655 9.048 9.652 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -6.398 10.014 8.724 1.00 0.00 O ATOM 0 H ASP A 68 -4.517 8.627 4.749 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.980 7.339 7.361 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.565 9.740 7.380 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.100 10.065 6.600 1.00 0.00 H new ATOM 1120 N SER A 69 -6.378 6.629 5.760 1.00 0.00 N ATOM 1121 CA SER A 69 -7.708 6.037 5.670 1.00 0.00 C ATOM 1122 C SER A 69 -7.791 4.760 6.501 1.00 0.00 C ATOM 1123 O SER A 69 -8.872 4.347 6.917 1.00 0.00 O ATOM 1124 CB SER A 69 -8.057 5.734 4.212 1.00 0.00 C ATOM 1125 OG SER A 69 -9.459 5.775 4.005 1.00 0.00 O ATOM 0 H SER A 69 -5.755 6.386 4.990 1.00 0.00 H new ATOM 0 HA SER A 69 -8.426 6.755 6.066 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.568 6.458 3.560 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.674 4.750 3.940 1.00 0.00 H new ATOM 0 HG SER A 69 -9.645 5.916 3.053 1.00 0.00 H new ATOM 1131 N ASN A 70 -6.640 4.140 6.738 1.00 0.00 N ATOM 1132 CA ASN A 70 -6.581 2.910 7.519 1.00 0.00 C ATOM 1133 C ASN A 70 -7.307 1.776 6.802 1.00 0.00 C ATOM 1134 O ASN A 70 -7.877 0.889 7.439 1.00 0.00 O ATOM 1135 CB ASN A 70 -7.195 3.129 8.903 1.00 0.00 C ATOM 1136 CG ASN A 70 -6.502 4.236 9.674 1.00 0.00 C ATOM 1137 OD1 ASN A 70 -6.537 5.400 9.277 1.00 0.00 O ATOM 1138 ND2 ASN A 70 -5.866 3.875 10.783 1.00 0.00 N ATOM 0 H ASN A 70 -5.735 4.469 6.400 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.533 2.632 7.634 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.252 3.372 8.794 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.138 2.202 9.474 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.380 4.575 11.343 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.863 2.897 11.074 1.00 0.00 H new ATOM 1145 N ARG A 71 -7.281 1.810 5.474 1.00 0.00 N ATOM 1146 CA ARG A 71 -7.937 0.786 4.670 1.00 0.00 C ATOM 1147 C ARG A 71 -6.911 -0.045 3.905 1.00 0.00 C ATOM 1148 O ARG A 71 -7.247 -0.728 2.937 1.00 0.00 O ATOM 1149 CB ARG A 71 -8.921 1.429 3.690 1.00 0.00 C ATOM 1150 CG ARG A 71 -9.928 2.352 4.357 1.00 0.00 C ATOM 1151 CD ARG A 71 -10.603 3.264 3.344 1.00 0.00 C ATOM 1152 NE ARG A 71 -11.593 4.138 3.968 1.00 0.00 N ATOM 1153 CZ ARG A 71 -12.618 4.672 3.314 1.00 0.00 C ATOM 1154 NH1 ARG A 71 -12.787 4.423 2.023 1.00 0.00 N ATOM 1155 NH2 ARG A 71 -13.477 5.456 3.952 1.00 0.00 N ATOM 0 H ARG A 71 -6.813 2.536 4.932 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.484 0.126 5.344 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -8.361 1.994 2.944 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.457 0.643 3.158 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -10.682 1.758 4.873 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.425 2.955 5.113 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.848 3.871 2.843 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.086 2.659 2.577 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.491 4.350 4.961 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -12.129 3.820 1.530 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -13.575 4.834 1.523 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -13.350 5.649 4.946 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -14.264 5.866 3.449 1.00 0.00 H new ATOM 1169 N LEU A 72 -5.660 0.019 4.345 1.00 0.00 N ATOM 1170 CA LEU A 72 -4.583 -0.727 3.702 1.00 0.00 C ATOM 1171 C LEU A 72 -3.984 -1.752 4.659 1.00 0.00 C ATOM 1172 O LEU A 72 -3.923 -1.526 5.868 1.00 0.00 O ATOM 1173 CB LEU A 72 -3.494 0.230 3.213 1.00 0.00 C ATOM 1174 CG LEU A 72 -3.979 1.564 2.645 1.00 0.00 C ATOM 1175 CD1 LEU A 72 -2.946 2.653 2.885 1.00 0.00 C ATOM 1176 CD2 LEU A 72 -4.282 1.432 1.159 1.00 0.00 C ATOM 0 H LEU A 72 -5.365 0.580 5.145 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.002 -1.258 2.847 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.819 0.436 4.044 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.910 -0.278 2.446 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.898 1.844 3.160 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.308 3.595 2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.778 2.765 3.956 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.010 2.381 2.397 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.626 2.391 0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.379 1.129 0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.058 0.681 1.011 1.00 0.00 H new ATOM 1188 N ARG A 73 -3.540 -2.878 4.110 1.00 0.00 N ATOM 1189 CA ARG A 73 -2.944 -3.937 4.915 1.00 0.00 C ATOM 1190 C ARG A 73 -1.508 -4.211 4.477 1.00 0.00 C ATOM 1191 O ARG A 73 -1.130 -3.984 3.327 1.00 0.00 O ATOM 1192 CB ARG A 73 -3.774 -5.218 4.808 1.00 0.00 C ATOM 1193 CG ARG A 73 -5.272 -4.968 4.749 1.00 0.00 C ATOM 1194 CD ARG A 73 -6.045 -6.263 4.547 1.00 0.00 C ATOM 1195 NE ARG A 73 -5.355 -7.409 5.134 1.00 0.00 N ATOM 1196 CZ ARG A 73 -5.437 -7.737 6.418 1.00 0.00 C ATOM 1197 NH1 ARG A 73 -6.175 -7.009 7.246 1.00 0.00 N ATOM 1198 NH2 ARG A 73 -4.780 -8.794 6.878 1.00 0.00 N ATOM 0 H ARG A 73 -3.582 -3.080 3.111 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.932 -3.606 5.953 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.470 -5.765 3.916 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.554 -5.856 5.664 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.599 -4.488 5.672 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.495 -4.279 3.935 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -7.035 -6.168 4.994 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.192 -6.435 3.481 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.779 -7.989 4.524 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.681 -6.195 6.897 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.236 -7.263 8.232 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.211 -9.356 6.245 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.844 -9.045 7.865 1.00 0.00 H new ATOM 1212 N PRO A 74 -0.688 -4.710 5.413 1.00 0.00 N ATOM 1213 CA PRO A 74 0.719 -5.026 5.146 1.00 0.00 C ATOM 1214 C PRO A 74 0.878 -6.230 4.225 1.00 0.00 C ATOM 1215 O PRO A 74 0.890 -7.375 4.679 1.00 0.00 O ATOM 1216 CB PRO A 74 1.282 -5.337 6.535 1.00 0.00 C ATOM 1217 CG PRO A 74 0.104 -5.784 7.330 1.00 0.00 C ATOM 1218 CD PRO A 74 -1.070 -5.006 6.804 1.00 0.00 C ATOM 0 HA PRO A 74 1.231 -4.209 4.636 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.045 -6.114 6.488 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.749 -4.458 6.979 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -0.057 -6.856 7.219 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.255 -5.592 8.392 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.991 -5.587 6.853 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.237 -4.094 7.377 1.00 0.00 H new ATOM 1226 N LEU A 75 1.002 -5.965 2.929 1.00 0.00 N ATOM 1227 CA LEU A 75 1.161 -7.028 1.943 1.00 0.00 C ATOM 1228 C LEU A 75 2.389 -7.879 2.253 1.00 0.00 C ATOM 1229 O LEU A 75 3.372 -7.388 2.806 1.00 0.00 O ATOM 1230 CB LEU A 75 1.280 -6.434 0.538 1.00 0.00 C ATOM 1231 CG LEU A 75 1.467 -7.436 -0.601 1.00 0.00 C ATOM 1232 CD1 LEU A 75 0.119 -7.889 -1.140 1.00 0.00 C ATOM 1233 CD2 LEU A 75 2.311 -6.829 -1.713 1.00 0.00 C ATOM 0 H LEU A 75 0.995 -5.023 2.537 1.00 0.00 H new ATOM 0 HA LEU A 75 0.278 -7.666 1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.383 -5.848 0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.122 -5.742 0.528 1.00 0.00 H new ATOM 0 HG LEU A 75 1.991 -8.308 -0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.272 -8.602 -1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.451 -8.364 -0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.431 -7.026 -1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.434 -7.557 -2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.815 -5.940 -2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.290 -6.555 -1.319 1.00 0.00 H new