USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 408 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 38 GLN : amide:sc= 0.854 K(o=-0.79,f=-13!) USER MOD Set 1.2: A 61 LYS NZ :NH3+ 161:sc= -1.64 (180deg=-2.48) USER MOD Set 2.1: A 14 CYS SG : rot -89:sc= -16.5! USER MOD Set 2.2: A 64 CYS SG : rot -44:sc= -20.7! USER MOD Single : A 10 LYS NZ :NH3+ -145:sc= -0.672! (180deg=-1.51!) USER MOD Single : A 23 CYS SG : rot 180:sc= 0.00798 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.028 USER MOD Single : A 30 TYR OH : rot 165:sc= -1.16! USER MOD Single : A 32 TYR OH : rot -74:sc= 0.17 USER MOD Single : A 33 ASN : amide:sc= -0.13 K(o=-0.13,f=-7.7!) USER MOD Single : A 34 ASN :FLIP amide:sc= -0.947 F(o=-2.4!,f=-0.95) USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -3.47! C(o=-3.5!,f=-7.3!) USER MOD Single : A 51 MET CE :methyl 157:sc= -0.0343 (180deg=-0.316) USER MOD Single : A 52 ASN : amide:sc= -3.57 K(o=-3.6,f=-7.6!) USER MOD Single : A 53 ASN :FLIP amide:sc= -6.98! C(o=-9.7!,f=-7!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.975 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.00095) USER MOD ----------------------------------------------------------------- ATOM 145 N LYS A 10 14.528 -0.876 -14.492 1.00 1.00 N ATOM 146 CA LYS A 10 14.566 0.143 -15.528 1.00 1.00 C ATOM 147 C LYS A 10 14.724 1.519 -14.878 1.00 1.00 C ATOM 148 O LYS A 10 14.248 1.696 -13.747 1.00 1.00 O ATOM 149 CB LYS A 10 13.339 0.029 -16.435 1.00 1.00 C ATOM 150 CG LYS A 10 13.752 -0.216 -17.887 1.00 1.00 C ATOM 151 CD LYS A 10 12.958 0.678 -18.842 1.00 1.00 C ATOM 152 CE LYS A 10 11.875 -0.123 -19.569 1.00 1.00 C ATOM 153 NZ LYS A 10 12.482 -1.046 -20.541 1.00 1.00 N ATOM 0 HA LYS A 10 15.429 -0.005 -16.177 1.00 1.00 H new ATOM 0 HB2 LYS A 10 12.703 -0.787 -16.091 1.00 1.00 H new ATOM 0 HB3 LYS A 10 12.748 0.943 -16.370 1.00 1.00 H new ATOM 0 HG2 LYS A 10 14.818 -0.022 -18.003 1.00 1.00 H new ATOM 0 HG3 LYS A 10 13.589 -1.263 -18.143 1.00 1.00 H new ATOM 0 HD2 LYS A 10 12.499 1.495 -18.285 1.00 1.00 H new ATOM 0 HD3 LYS A 10 13.633 1.129 -19.570 1.00 1.00 H new ATOM 0 HE2 LYS A 10 11.283 -0.684 -18.846 1.00 1.00 H new ATOM 0 HE3 LYS A 10 11.193 0.557 -20.081 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 11.866 -1.126 -21.375 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 13.412 -0.682 -20.831 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 12.597 -1.983 -20.105 1.00 1.00 H new ATOM 167 N PRO A 11 15.379 2.451 -15.594 1.00 1.00 N ATOM 168 CA PRO A 11 15.615 3.805 -15.123 1.00 1.00 C ATOM 169 C PRO A 11 14.324 4.625 -15.144 1.00 1.00 C ATOM 170 O PRO A 11 13.895 5.021 -16.238 1.00 1.00 O ATOM 171 CB PRO A 11 16.688 4.361 -16.045 1.00 1.00 C ATOM 172 CG PRO A 11 16.680 3.472 -17.277 1.00 1.00 C ATOM 173 CD PRO A 11 15.883 2.221 -16.945 1.00 1.00 C ATOM 0 HA PRO A 11 15.945 3.838 -14.085 1.00 1.00 H new ATOM 0 HB2 PRO A 11 16.477 5.397 -16.310 1.00 1.00 H new ATOM 0 HB3 PRO A 11 17.664 4.348 -15.560 1.00 1.00 H new ATOM 0 HG2 PRO A 11 16.234 3.996 -18.122 1.00 1.00 H new ATOM 0 HG3 PRO A 11 17.698 3.210 -17.565 1.00 1.00 H new ATOM 0 HD2 PRO A 11 15.067 2.072 -17.652 1.00 1.00 H new ATOM 0 HD3 PRO A 11 16.509 1.330 -16.988 1.00 1.00 H new ATOM 181 N ASP A 12 13.740 4.861 -13.956 1.00 1.00 N ATOM 182 CA ASP A 12 12.510 5.627 -13.840 1.00 1.00 C ATOM 183 C ASP A 12 12.747 7.044 -14.365 1.00 1.00 C ATOM 184 O ASP A 12 11.797 7.646 -14.887 1.00 1.00 O ATOM 185 CB ASP A 12 12.062 5.731 -12.381 1.00 1.00 C ATOM 186 CG ASP A 12 10.578 6.043 -12.182 1.00 1.00 C ATOM 187 OD1 ASP A 12 10.172 7.214 -12.129 1.00 1.00 O ATOM 188 OD2 ASP A 12 9.812 5.009 -12.077 1.00 1.00 O ATOM 0 H ASP A 12 14.110 4.526 -13.066 1.00 1.00 H new ATOM 0 HA ASP A 12 11.739 5.118 -14.418 1.00 1.00 H new ATOM 0 HB2 ASP A 12 12.291 4.791 -11.878 1.00 1.00 H new ATOM 0 HB3 ASP A 12 12.650 6.507 -11.890 1.00 1.00 H new ATOM 193 N PHE A 13 13.988 7.542 -14.218 1.00 1.00 N ATOM 194 CA PHE A 13 14.341 8.875 -14.674 1.00 1.00 C ATOM 195 C PHE A 13 13.987 9.014 -16.156 1.00 1.00 C ATOM 196 O PHE A 13 13.675 10.134 -16.586 1.00 1.00 O ATOM 197 CB PHE A 13 15.848 9.106 -14.449 1.00 1.00 C ATOM 198 CG PHE A 13 16.757 8.349 -15.409 1.00 1.00 C ATOM 199 CD1 PHE A 13 16.776 8.679 -16.784 1.00 1.00 C ATOM 200 CD2 PHE A 13 17.583 7.307 -14.930 1.00 1.00 C ATOM 201 CE1 PHE A 13 17.616 7.973 -17.672 1.00 1.00 C ATOM 202 CE2 PHE A 13 18.423 6.602 -15.818 1.00 1.00 C ATOM 203 CZ PHE A 13 18.440 6.935 -17.189 1.00 1.00 C ATOM 0 H PHE A 13 14.757 7.030 -13.784 1.00 1.00 H new ATOM 0 HA PHE A 13 13.784 9.624 -14.111 1.00 1.00 H new ATOM 0 HB2 PHE A 13 16.056 10.172 -14.538 1.00 1.00 H new ATOM 0 HB3 PHE A 13 16.098 8.816 -13.428 1.00 1.00 H new ATOM 0 HD1 PHE A 13 16.146 9.474 -17.156 1.00 1.00 H new ATOM 0 HD2 PHE A 13 17.571 7.050 -13.881 1.00 1.00 H new ATOM 0 HE1 PHE A 13 17.628 8.228 -18.721 1.00 1.00 H new ATOM 0 HE2 PHE A 13 19.053 5.807 -15.448 1.00 1.00 H new ATOM 0 HZ PHE A 13 19.083 6.395 -17.868 1.00 1.00 H new ATOM 213 N CYS A 14 14.040 7.891 -16.895 1.00 1.00 N ATOM 214 CA CYS A 14 13.727 7.888 -18.314 1.00 1.00 C ATOM 215 C CYS A 14 12.257 8.265 -18.508 1.00 1.00 C ATOM 216 O CYS A 14 11.958 9.006 -19.456 1.00 1.00 O ATOM 217 CB CYS A 14 14.058 6.536 -18.949 1.00 1.00 C ATOM 218 SG CYS A 14 15.815 6.286 -19.338 1.00 1.00 S ATOM 0 H CYS A 14 14.299 6.978 -16.521 1.00 1.00 H new ATOM 0 HA CYS A 14 14.344 8.629 -18.821 1.00 1.00 H new ATOM 0 HB2 CYS A 14 13.734 5.744 -18.274 1.00 1.00 H new ATOM 0 HB3 CYS A 14 13.479 6.430 -19.866 1.00 1.00 H new ATOM 0 HG CYS A 14 16.062 6.728 -20.535 1.00 1.00 H new ATOM 224 N PHE A 15 11.382 7.757 -17.621 1.00 1.00 N ATOM 225 CA PHE A 15 9.959 8.039 -17.695 1.00 1.00 C ATOM 226 C PHE A 15 9.702 9.470 -17.218 1.00 1.00 C ATOM 227 O PHE A 15 8.551 9.922 -17.305 1.00 1.00 O ATOM 228 CB PHE A 15 9.195 7.025 -16.822 1.00 1.00 C ATOM 229 CG PHE A 15 9.611 5.574 -17.022 1.00 1.00 C ATOM 230 CD1 PHE A 15 9.721 5.036 -18.325 1.00 1.00 C ATOM 231 CD2 PHE A 15 9.882 4.754 -15.902 1.00 1.00 C ATOM 232 CE1 PHE A 15 10.103 3.689 -18.507 1.00 1.00 C ATOM 233 CE2 PHE A 15 10.263 3.407 -16.085 1.00 1.00 C ATOM 234 CZ PHE A 15 10.374 2.875 -17.387 1.00 1.00 C ATOM 0 H PHE A 15 11.648 7.149 -16.847 1.00 1.00 H new ATOM 0 HA PHE A 15 9.609 7.947 -18.723 1.00 1.00 H new ATOM 0 HB2 PHE A 15 9.337 7.289 -15.774 1.00 1.00 H new ATOM 0 HB3 PHE A 15 8.129 7.116 -17.032 1.00 1.00 H new ATOM 0 HD1 PHE A 15 9.512 5.657 -19.183 1.00 1.00 H new ATOM 0 HD2 PHE A 15 9.797 5.159 -14.904 1.00 1.00 H new ATOM 0 HE1 PHE A 15 10.188 3.282 -19.504 1.00 1.00 H new ATOM 0 HE2 PHE A 15 10.470 2.783 -15.228 1.00 1.00 H new ATOM 0 HZ PHE A 15 10.666 1.845 -17.526 1.00 1.00 H new ATOM 244 N LEU A 16 10.760 10.142 -16.731 1.00 1.00 N ATOM 245 CA LEU A 16 10.649 11.507 -16.246 1.00 1.00 C ATOM 246 C LEU A 16 10.580 12.463 -17.438 1.00 1.00 C ATOM 247 O LEU A 16 11.393 12.314 -18.362 1.00 1.00 O ATOM 248 CB LEU A 16 11.783 11.822 -15.269 1.00 1.00 C ATOM 249 CG LEU A 16 11.397 12.635 -14.031 1.00 1.00 C ATOM 250 CD1 LEU A 16 10.428 11.852 -13.143 1.00 1.00 C ATOM 251 CD2 LEU A 16 12.639 13.090 -13.264 1.00 1.00 C ATOM 0 H LEU A 16 11.700 9.750 -16.668 1.00 1.00 H new ATOM 0 HA LEU A 16 9.727 11.637 -15.680 1.00 1.00 H new ATOM 0 HB2 LEU A 16 12.223 10.881 -14.938 1.00 1.00 H new ATOM 0 HB3 LEU A 16 12.560 12.365 -15.808 1.00 1.00 H new ATOM 0 HG LEU A 16 10.877 13.534 -14.361 1.00 1.00 H new ATOM 0 HD11 LEU A 16 10.169 12.451 -12.270 1.00 1.00 H new ATOM 0 HD12 LEU A 16 9.524 11.622 -13.706 1.00 1.00 H new ATOM 0 HD13 LEU A 16 10.900 10.924 -12.819 1.00 1.00 H new ATOM 0 HD21 LEU A 16 12.336 13.665 -12.389 1.00 1.00 H new ATOM 0 HD22 LEU A 16 13.209 12.218 -12.945 1.00 1.00 H new ATOM 0 HD23 LEU A 16 13.258 13.712 -13.910 1.00 1.00 H new ATOM 263 N GLU A 17 9.627 13.411 -17.395 1.00 1.00 N ATOM 264 CA GLU A 17 9.456 14.380 -18.464 1.00 1.00 C ATOM 265 C GLU A 17 10.765 15.146 -18.666 1.00 1.00 C ATOM 266 O GLU A 17 11.543 15.248 -17.706 1.00 1.00 O ATOM 267 CB GLU A 17 8.299 15.339 -18.174 1.00 1.00 C ATOM 268 CG GLU A 17 7.011 14.863 -18.848 1.00 1.00 C ATOM 269 CD GLU A 17 6.729 15.665 -20.120 1.00 1.00 C ATOM 270 OE1 GLU A 17 7.203 16.803 -20.253 1.00 1.00 O ATOM 271 OE2 GLU A 17 5.988 15.066 -20.990 1.00 1.00 O ATOM 0 H GLU A 17 8.967 13.517 -16.624 1.00 1.00 H new ATOM 0 HA GLU A 17 9.205 13.848 -19.381 1.00 1.00 H new ATOM 0 HB2 GLU A 17 8.144 15.413 -17.098 1.00 1.00 H new ATOM 0 HB3 GLU A 17 8.552 16.338 -18.529 1.00 1.00 H new ATOM 0 HG2 GLU A 17 7.094 13.804 -19.092 1.00 1.00 H new ATOM 0 HG3 GLU A 17 6.175 14.966 -18.156 1.00 1.00 H new ATOM 278 N GLU A 18 10.979 15.662 -19.889 1.00 1.00 N ATOM 279 CA GLU A 18 12.182 16.410 -20.210 1.00 1.00 C ATOM 280 C GLU A 18 12.366 17.534 -19.188 1.00 1.00 C ATOM 281 O GLU A 18 11.379 17.909 -18.540 1.00 1.00 O ATOM 282 CB GLU A 18 12.135 16.967 -21.635 1.00 1.00 C ATOM 283 CG GLU A 18 11.451 18.335 -21.666 1.00 1.00 C ATOM 284 CD GLU A 18 9.929 18.186 -21.733 1.00 1.00 C ATOM 285 OE1 GLU A 18 9.419 17.057 -21.783 1.00 1.00 O ATOM 286 OE2 GLU A 18 9.272 19.295 -21.730 1.00 1.00 O ATOM 0 H GLU A 18 10.325 15.568 -20.666 1.00 1.00 H new ATOM 0 HA GLU A 18 13.037 15.735 -20.161 1.00 1.00 H new ATOM 0 HB2 GLU A 18 13.148 17.054 -22.029 1.00 1.00 H new ATOM 0 HB3 GLU A 18 11.599 16.274 -22.283 1.00 1.00 H new ATOM 0 HG2 GLU A 18 11.726 18.903 -20.777 1.00 1.00 H new ATOM 0 HG3 GLU A 18 11.803 18.902 -22.528 1.00 1.00 H new ATOM 293 N ASP A 19 13.607 18.041 -19.067 1.00 1.00 N ATOM 294 CA ASP A 19 13.913 19.111 -18.133 1.00 1.00 C ATOM 295 C ASP A 19 15.127 19.893 -18.640 1.00 1.00 C ATOM 296 O ASP A 19 16.248 19.374 -18.536 1.00 1.00 O ATOM 297 CB ASP A 19 14.255 18.553 -16.750 1.00 1.00 C ATOM 298 CG ASP A 19 14.837 19.571 -15.767 1.00 1.00 C ATOM 299 OD1 ASP A 19 14.207 20.595 -15.462 1.00 1.00 O ATOM 300 OD2 ASP A 19 16.003 19.277 -15.303 1.00 1.00 O ATOM 0 H ASP A 19 14.407 17.718 -19.611 1.00 1.00 H new ATOM 0 HA ASP A 19 13.036 19.753 -18.057 1.00 1.00 H new ATOM 0 HB2 ASP A 19 13.352 18.125 -16.314 1.00 1.00 H new ATOM 0 HB3 ASP A 19 14.968 17.738 -16.870 1.00 1.00 H new ATOM 305 N PRO A 20 14.883 21.104 -19.170 1.00 1.00 N ATOM 306 CA PRO A 20 15.922 21.973 -19.697 1.00 1.00 C ATOM 307 C PRO A 20 16.581 22.780 -18.577 1.00 1.00 C ATOM 308 O PRO A 20 16.991 23.921 -18.835 1.00 1.00 O ATOM 309 CB PRO A 20 15.221 22.846 -20.725 1.00 1.00 C ATOM 310 CG PRO A 20 13.737 22.757 -20.406 1.00 1.00 C ATOM 311 CD PRO A 20 13.535 21.591 -19.451 1.00 1.00 C ATOM 0 HA PRO A 20 16.741 21.419 -20.157 1.00 1.00 H new ATOM 0 HB2 PRO A 20 15.572 23.876 -20.667 1.00 1.00 H new ATOM 0 HB3 PRO A 20 15.424 22.497 -21.737 1.00 1.00 H new ATOM 0 HG2 PRO A 20 13.387 23.685 -19.954 1.00 1.00 H new ATOM 0 HG3 PRO A 20 13.159 22.608 -21.318 1.00 1.00 H new ATOM 0 HD2 PRO A 20 13.031 21.909 -18.539 1.00 1.00 H new ATOM 0 HD3 PRO A 20 12.919 20.813 -19.901 1.00 1.00 H new ATOM 319 N GLY A 21 16.668 22.183 -17.375 1.00 1.00 N ATOM 320 CA GLY A 21 17.272 22.841 -16.229 1.00 1.00 C ATOM 321 C GLY A 21 16.875 24.319 -16.228 1.00 1.00 C ATOM 322 O GLY A 21 15.883 24.663 -16.888 1.00 1.00 O ATOM 0 H GLY A 21 16.323 21.242 -17.183 1.00 1.00 H new ATOM 0 HA2 GLY A 21 16.943 22.364 -15.306 1.00 1.00 H new ATOM 0 HA3 GLY A 21 18.357 22.744 -16.269 1.00 1.00 H new ATOM 326 N ILE A 22 17.642 25.149 -15.499 1.00 1.00 N ATOM 327 CA ILE A 22 17.372 26.574 -15.415 1.00 1.00 C ATOM 328 C ILE A 22 18.116 27.297 -16.540 1.00 1.00 C ATOM 329 O ILE A 22 17.450 27.871 -17.413 1.00 1.00 O ATOM 330 CB ILE A 22 17.705 27.101 -14.019 1.00 1.00 C ATOM 331 CG1 ILE A 22 17.630 25.982 -12.978 1.00 1.00 C ATOM 332 CG2 ILE A 22 16.810 28.287 -13.652 1.00 1.00 C ATOM 333 CD1 ILE A 22 17.400 26.552 -11.576 1.00 1.00 C ATOM 0 H ILE A 22 18.454 24.845 -14.962 1.00 1.00 H new ATOM 0 HA ILE A 22 16.309 26.770 -15.558 1.00 1.00 H new ATOM 0 HB ILE A 22 18.733 27.464 -14.027 1.00 1.00 H new ATOM 0 HG12 ILE A 22 16.822 25.297 -13.233 1.00 1.00 H new ATOM 0 HG13 ILE A 22 18.554 25.404 -12.993 1.00 1.00 H new ATOM 0 HG21 ILE A 22 17.068 28.642 -12.654 1.00 1.00 H new ATOM 0 HG22 ILE A 22 16.958 29.091 -14.373 1.00 1.00 H new ATOM 0 HG23 ILE A 22 15.766 27.973 -13.667 1.00 1.00 H new ATOM 0 HD11 ILE A 22 17.351 25.736 -10.855 1.00 1.00 H new ATOM 0 HD12 ILE A 22 18.222 27.218 -11.315 1.00 1.00 H new ATOM 0 HD13 ILE A 22 16.463 27.109 -11.559 1.00 1.00 H new ATOM 345 N CYS A 23 19.459 27.256 -16.497 1.00 1.00 N ATOM 346 CA CYS A 23 20.283 27.902 -17.504 1.00 1.00 C ATOM 347 C CYS A 23 19.670 27.665 -18.886 1.00 1.00 C ATOM 348 O CYS A 23 18.819 26.771 -19.008 1.00 1.00 O ATOM 349 CB CYS A 23 21.731 27.413 -17.431 1.00 1.00 C ATOM 350 SG CYS A 23 21.919 25.621 -17.201 1.00 1.00 S ATOM 0 H CYS A 23 19.988 26.777 -15.768 1.00 1.00 H new ATOM 0 HA CYS A 23 20.308 28.975 -17.315 1.00 1.00 H new ATOM 0 HB2 CYS A 23 22.244 27.703 -18.348 1.00 1.00 H new ATOM 0 HB3 CYS A 23 22.232 27.925 -16.609 1.00 1.00 H new ATOM 0 HG CYS A 23 23.183 25.320 -17.156 1.00 1.00 H new ATOM 356 N ARG A 24 20.106 28.456 -19.882 1.00 1.00 N ATOM 357 CA ARG A 24 19.603 28.333 -21.240 1.00 1.00 C ATOM 358 C ARG A 24 20.711 27.784 -22.141 1.00 1.00 C ATOM 359 O ARG A 24 21.799 27.488 -21.625 1.00 1.00 O ATOM 360 CB ARG A 24 19.129 29.679 -21.790 1.00 1.00 C ATOM 361 CG ARG A 24 20.131 30.788 -21.466 1.00 1.00 C ATOM 362 CD ARG A 24 19.715 31.552 -20.206 1.00 1.00 C ATOM 363 NE ARG A 24 20.497 32.804 -20.092 1.00 1.00 N ATOM 364 CZ ARG A 24 21.792 32.855 -19.712 1.00 1.00 C ATOM 365 NH1 ARG A 24 22.427 31.714 -19.415 1.00 1.00 N ATOM 366 NH2 ARG A 24 22.431 34.031 -19.633 1.00 1.00 N ATOM 0 H ARG A 24 20.808 29.186 -19.760 1.00 1.00 H new ATOM 0 HA ARG A 24 18.751 27.654 -21.224 1.00 1.00 H new ATOM 0 HB2 ARG A 24 18.996 29.608 -22.870 1.00 1.00 H new ATOM 0 HB3 ARG A 24 18.157 29.927 -21.365 1.00 1.00 H new ATOM 0 HG2 ARG A 24 21.122 30.357 -21.324 1.00 1.00 H new ATOM 0 HG3 ARG A 24 20.201 31.477 -22.307 1.00 1.00 H new ATOM 0 HD2 ARG A 24 18.650 31.781 -20.244 1.00 1.00 H new ATOM 0 HD3 ARG A 24 19.876 30.931 -19.325 1.00 1.00 H new ATOM 0 HE ARG A 24 20.029 33.682 -20.314 1.00 1.00 H new ATOM 0 HH11 ARG A 24 21.933 30.824 -19.477 1.00 1.00 H new ATOM 0 HH12 ARG A 24 23.405 31.735 -19.126 1.00 1.00 H new ATOM 0 HH21 ARG A 24 21.939 34.895 -19.861 1.00 1.00 H new ATOM 0 HH22 ARG A 24 23.409 34.062 -19.345 1.00 1.00 H new ATOM 380 N GLY A 25 20.418 27.660 -23.448 1.00 1.00 N ATOM 381 CA GLY A 25 21.383 27.151 -24.408 1.00 1.00 C ATOM 382 C GLY A 25 20.644 26.396 -25.516 1.00 1.00 C ATOM 383 O GLY A 25 21.103 26.440 -26.667 1.00 1.00 O ATOM 0 H GLY A 25 19.516 27.909 -23.853 1.00 1.00 H new ATOM 0 HA2 GLY A 25 21.958 27.973 -24.834 1.00 1.00 H new ATOM 0 HA3 GLY A 25 22.093 26.489 -23.912 1.00 1.00 H new ATOM 387 N TYR A 26 19.534 25.730 -25.153 1.00 1.00 N ATOM 388 CA TYR A 26 18.789 24.989 -26.157 1.00 1.00 C ATOM 389 C TYR A 26 19.748 24.083 -26.932 1.00 1.00 C ATOM 390 O TYR A 26 20.336 24.562 -27.913 1.00 1.00 O ATOM 391 CB TYR A 26 18.049 25.969 -27.086 1.00 1.00 C ATOM 392 CG TYR A 26 16.911 26.732 -26.421 1.00 1.00 C ATOM 393 CD1 TYR A 26 16.586 26.480 -25.069 1.00 1.00 C ATOM 394 CD2 TYR A 26 16.178 27.699 -27.147 1.00 1.00 C ATOM 395 CE1 TYR A 26 15.535 27.186 -24.447 1.00 1.00 C ATOM 396 CE2 TYR A 26 15.126 28.405 -26.526 1.00 1.00 C ATOM 397 CZ TYR A 26 14.803 28.149 -25.175 1.00 1.00 C ATOM 398 OH TYR A 26 13.785 28.830 -24.571 1.00 1.00 O ATOM 0 H TYR A 26 19.153 25.695 -24.208 1.00 1.00 H new ATOM 0 HA TYR A 26 18.039 24.358 -25.680 1.00 1.00 H new ATOM 0 HB2 TYR A 26 18.767 26.686 -27.483 1.00 1.00 H new ATOM 0 HB3 TYR A 26 17.650 25.414 -27.935 1.00 1.00 H new ATOM 0 HD1 TYR A 26 17.144 25.744 -24.510 1.00 1.00 H new ATOM 0 HD2 TYR A 26 16.424 27.898 -28.180 1.00 1.00 H new ATOM 0 HE1 TYR A 26 15.290 26.990 -23.414 1.00 1.00 H new ATOM 0 HE2 TYR A 26 14.567 29.142 -27.084 1.00 1.00 H new ATOM 0 HH TYR A 26 13.385 29.456 -25.211 1.00 1.00 H new ATOM 408 N ILE A 27 19.894 22.824 -26.484 1.00 1.00 N ATOM 409 CA ILE A 27 20.784 21.875 -27.130 1.00 1.00 C ATOM 410 C ILE A 27 19.970 20.682 -27.638 1.00 1.00 C ATOM 411 O ILE A 27 19.170 20.141 -26.861 1.00 1.00 O ATOM 412 CB ILE A 27 21.925 21.484 -26.189 1.00 1.00 C ATOM 413 CG1 ILE A 27 22.239 22.616 -25.208 1.00 1.00 C ATOM 414 CG2 ILE A 27 23.162 21.049 -26.978 1.00 1.00 C ATOM 415 CD1 ILE A 27 21.540 22.388 -23.866 1.00 1.00 C ATOM 0 H ILE A 27 19.400 22.450 -25.674 1.00 1.00 H new ATOM 0 HA ILE A 27 21.260 22.330 -27.999 1.00 1.00 H new ATOM 0 HB ILE A 27 21.602 20.627 -25.598 1.00 1.00 H new ATOM 0 HG12 ILE A 27 23.316 22.681 -25.055 1.00 1.00 H new ATOM 0 HG13 ILE A 27 21.919 23.568 -25.631 1.00 1.00 H new ATOM 0 HG21 ILE A 27 23.958 20.776 -26.285 1.00 1.00 H new ATOM 0 HG22 ILE A 27 22.913 20.190 -27.601 1.00 1.00 H new ATOM 0 HG23 ILE A 27 23.497 21.871 -27.611 1.00 1.00 H new ATOM 0 HD11 ILE A 27 21.780 23.206 -23.187 1.00 1.00 H new ATOM 0 HD12 ILE A 27 20.462 22.348 -24.020 1.00 1.00 H new ATOM 0 HD13 ILE A 27 21.880 21.447 -23.434 1.00 1.00 H new ATOM 427 N THR A 28 20.187 20.303 -28.910 1.00 1.00 N ATOM 428 CA THR A 28 19.479 19.186 -29.512 1.00 1.00 C ATOM 429 C THR A 28 19.716 17.928 -28.675 1.00 1.00 C ATOM 430 O THR A 28 20.595 17.134 -29.040 1.00 1.00 O ATOM 431 CB THR A 28 19.935 19.045 -30.965 1.00 1.00 C ATOM 432 OG1 THR A 28 19.899 20.376 -31.472 1.00 1.00 O ATOM 433 CG2 THR A 28 18.919 18.291 -31.827 1.00 1.00 C ATOM 0 H THR A 28 20.851 20.763 -29.533 1.00 1.00 H new ATOM 0 HA THR A 28 18.402 19.353 -29.525 1.00 1.00 H new ATOM 0 HB THR A 28 20.893 18.527 -30.995 1.00 1.00 H new ATOM 0 HG1 THR A 28 20.182 20.376 -32.410 1.00 1.00 H new ATOM 0 HG21 THR A 28 19.291 18.219 -32.849 1.00 1.00 H new ATOM 0 HG22 THR A 28 18.771 17.289 -31.423 1.00 1.00 H new ATOM 0 HG23 THR A 28 17.970 18.827 -31.824 1.00 1.00 H new ATOM 441 N ARG A 29 18.939 17.772 -27.588 1.00 1.00 N ATOM 442 CA ARG A 29 19.065 16.621 -26.710 1.00 1.00 C ATOM 443 C ARG A 29 17.786 15.784 -26.788 1.00 1.00 C ATOM 444 O ARG A 29 16.725 16.355 -27.080 1.00 1.00 O ATOM 445 CB ARG A 29 19.303 17.041 -25.259 1.00 1.00 C ATOM 446 CG ARG A 29 20.555 17.912 -25.139 1.00 1.00 C ATOM 447 CD ARG A 29 21.795 17.161 -25.630 1.00 1.00 C ATOM 448 NE ARG A 29 22.988 18.032 -25.527 1.00 1.00 N ATOM 449 CZ ARG A 29 23.722 18.179 -24.404 1.00 1.00 C ATOM 450 NH1 ARG A 29 23.368 17.504 -23.302 1.00 1.00 N ATOM 451 NH2 ARG A 29 24.791 18.988 -24.392 1.00 1.00 N ATOM 0 H ARG A 29 18.219 18.437 -27.306 1.00 1.00 H new ATOM 0 HA ARG A 29 19.925 16.038 -27.039 1.00 1.00 H new ATOM 0 HB2 ARG A 29 18.437 17.590 -24.889 1.00 1.00 H new ATOM 0 HB3 ARG A 29 19.411 16.155 -24.633 1.00 1.00 H new ATOM 0 HG2 ARG A 29 20.424 18.825 -25.720 1.00 1.00 H new ATOM 0 HG3 ARG A 29 20.695 18.213 -24.101 1.00 1.00 H new ATOM 0 HD2 ARG A 29 21.942 16.258 -25.038 1.00 1.00 H new ATOM 0 HD3 ARG A 29 21.653 16.845 -26.663 1.00 1.00 H new ATOM 0 HE ARG A 29 23.273 18.553 -26.356 1.00 1.00 H new ATOM 0 HH11 ARG A 29 22.554 16.890 -23.320 1.00 1.00 H new ATOM 0 HH12 ARG A 29 23.913 17.604 -22.445 1.00 1.00 H new ATOM 0 HH21 ARG A 29 25.054 19.498 -25.235 1.00 1.00 H new ATOM 0 HH22 ARG A 29 25.341 19.094 -23.539 1.00 1.00 H new ATOM 465 N TYR A 30 17.909 14.470 -26.530 1.00 1.00 N ATOM 466 CA TYR A 30 16.732 13.620 -26.591 1.00 1.00 C ATOM 467 C TYR A 30 16.329 13.211 -25.173 1.00 1.00 C ATOM 468 O TYR A 30 17.149 13.388 -24.260 1.00 1.00 O ATOM 469 CB TYR A 30 17.018 12.397 -27.482 1.00 1.00 C ATOM 470 CG TYR A 30 17.434 12.736 -28.906 1.00 1.00 C ATOM 471 CD1 TYR A 30 18.680 13.353 -29.161 1.00 1.00 C ATOM 472 CD2 TYR A 30 16.568 12.441 -29.985 1.00 1.00 C ATOM 473 CE1 TYR A 30 19.060 13.668 -30.483 1.00 1.00 C ATOM 474 CE2 TYR A 30 16.948 12.756 -31.307 1.00 1.00 C ATOM 475 CZ TYR A 30 18.194 13.370 -31.557 1.00 1.00 C ATOM 476 OH TYR A 30 18.558 13.672 -32.839 1.00 1.00 O ATOM 0 H TYR A 30 18.780 13.998 -26.287 1.00 1.00 H new ATOM 0 HA TYR A 30 15.898 14.163 -27.036 1.00 1.00 H new ATOM 0 HB2 TYR A 30 17.805 11.802 -27.019 1.00 1.00 H new ATOM 0 HB3 TYR A 30 16.125 11.772 -27.517 1.00 1.00 H new ATOM 0 HD1 TYR A 30 19.344 13.584 -28.341 1.00 1.00 H new ATOM 0 HD2 TYR A 30 15.613 11.973 -29.796 1.00 1.00 H new ATOM 0 HE1 TYR A 30 20.014 14.137 -30.673 1.00 1.00 H new ATOM 0 HE2 TYR A 30 16.285 12.527 -32.128 1.00 1.00 H new ATOM 0 HH TYR A 30 17.975 13.195 -33.466 1.00 1.00 H new ATOM 486 N PHE A 31 15.098 12.692 -25.015 1.00 1.00 N ATOM 487 CA PHE A 31 14.599 12.278 -23.715 1.00 1.00 C ATOM 488 C PHE A 31 13.472 11.261 -23.907 1.00 1.00 C ATOM 489 O PHE A 31 12.684 11.425 -24.850 1.00 1.00 O ATOM 490 CB PHE A 31 14.095 13.515 -22.947 1.00 1.00 C ATOM 491 CG PHE A 31 12.749 14.050 -23.418 1.00 1.00 C ATOM 492 CD1 PHE A 31 12.633 14.649 -24.694 1.00 1.00 C ATOM 493 CD2 PHE A 31 11.608 13.947 -22.588 1.00 1.00 C ATOM 494 CE1 PHE A 31 11.386 15.142 -25.135 1.00 1.00 C ATOM 495 CE2 PHE A 31 10.362 14.440 -23.031 1.00 1.00 C ATOM 496 CZ PHE A 31 10.251 15.038 -24.304 1.00 1.00 C ATOM 0 H PHE A 31 14.438 12.554 -25.780 1.00 1.00 H new ATOM 0 HA PHE A 31 15.396 11.810 -23.137 1.00 1.00 H new ATOM 0 HB2 PHE A 31 14.021 13.264 -21.889 1.00 1.00 H new ATOM 0 HB3 PHE A 31 14.837 14.308 -23.035 1.00 1.00 H new ATOM 0 HD1 PHE A 31 13.500 14.729 -25.332 1.00 1.00 H new ATOM 0 HD2 PHE A 31 11.691 13.490 -21.613 1.00 1.00 H new ATOM 0 HE1 PHE A 31 11.301 15.599 -26.110 1.00 1.00 H new ATOM 0 HE2 PHE A 31 9.493 14.359 -22.395 1.00 1.00 H new ATOM 0 HZ PHE A 31 9.297 15.416 -24.642 1.00 1.00 H new ATOM 506 N TYR A 32 13.417 10.248 -23.023 1.00 1.00 N ATOM 507 CA TYR A 32 12.373 9.246 -23.153 1.00 1.00 C ATOM 508 C TYR A 32 11.047 9.832 -22.666 1.00 1.00 C ATOM 509 O TYR A 32 10.749 9.686 -21.471 1.00 1.00 O ATOM 510 CB TYR A 32 12.764 7.981 -22.368 1.00 1.00 C ATOM 511 CG TYR A 32 11.874 6.774 -22.633 1.00 1.00 C ATOM 512 CD1 TYR A 32 12.162 5.893 -23.701 1.00 1.00 C ATOM 513 CD2 TYR A 32 10.748 6.532 -21.813 1.00 1.00 C ATOM 514 CE1 TYR A 32 11.332 4.778 -23.944 1.00 1.00 C ATOM 515 CE2 TYR A 32 9.918 5.417 -22.056 1.00 1.00 C ATOM 516 CZ TYR A 32 10.210 4.538 -23.121 1.00 1.00 C ATOM 517 OH TYR A 32 9.405 3.459 -23.352 1.00 1.00 O ATOM 0 H TYR A 32 14.061 10.113 -22.244 1.00 1.00 H new ATOM 0 HA TYR A 32 12.253 8.960 -24.198 1.00 1.00 H new ATOM 0 HB2 TYR A 32 13.793 7.719 -22.615 1.00 1.00 H new ATOM 0 HB3 TYR A 32 12.739 8.208 -21.302 1.00 1.00 H new ATOM 0 HD1 TYR A 32 13.019 6.074 -24.332 1.00 1.00 H new ATOM 0 HD2 TYR A 32 10.522 7.203 -20.997 1.00 1.00 H new ATOM 0 HE1 TYR A 32 11.555 4.107 -24.761 1.00 1.00 H new ATOM 0 HE2 TYR A 32 9.059 5.236 -21.427 1.00 1.00 H new ATOM 0 HH TYR A 32 8.855 3.625 -24.146 1.00 1.00 H new ATOM 527 N ASN A 33 10.295 10.479 -23.574 1.00 1.00 N ATOM 528 CA ASN A 33 9.021 11.087 -23.228 1.00 1.00 C ATOM 529 C ASN A 33 8.019 9.990 -22.866 1.00 1.00 C ATOM 530 O ASN A 33 7.683 9.184 -23.746 1.00 1.00 O ATOM 531 CB ASN A 33 8.451 11.879 -24.406 1.00 1.00 C ATOM 532 CG ASN A 33 7.137 12.563 -24.022 1.00 1.00 C ATOM 533 OD1 ASN A 33 6.762 12.639 -22.863 1.00 1.00 O ATOM 534 ND2 ASN A 33 6.461 13.055 -25.056 1.00 1.00 N ATOM 0 H ASN A 33 10.559 10.588 -24.553 1.00 1.00 H new ATOM 0 HA ASN A 33 9.186 11.761 -22.387 1.00 1.00 H new ATOM 0 HB2 ASN A 33 9.174 12.628 -24.729 1.00 1.00 H new ATOM 0 HB3 ASN A 33 8.284 11.211 -25.251 1.00 1.00 H new ATOM 0 HD21 ASN A 33 5.571 13.531 -24.904 1.00 1.00 H new ATOM 0 HD22 ASN A 33 6.832 12.957 -26.001 1.00 1.00 H new ATOM 541 N ASN A 34 7.568 9.980 -21.599 1.00 1.00 N ATOM 542 CA ASN A 34 6.614 8.991 -21.128 1.00 1.00 C ATOM 543 C ASN A 34 5.277 9.198 -21.843 1.00 1.00 C ATOM 544 O ASN A 34 4.546 8.213 -22.025 1.00 1.00 O ATOM 545 CB ASN A 34 6.372 9.131 -19.624 1.00 1.00 C ATOM 546 CG ASN A 34 5.126 8.353 -19.194 1.00 1.00 C ATOM 547 OD1 ASN A 34 3.981 8.974 -19.464 1.00 1.00 O flip ATOM 548 ND2 ASN A 34 5.199 7.262 -18.654 1.00 1.00 N flip ATOM 0 H ASN A 34 7.857 10.653 -20.889 1.00 1.00 H new ATOM 0 HA ASN A 34 7.023 8.002 -21.337 1.00 1.00 H new ATOM 0 HB2 ASN A 34 7.241 8.765 -19.077 1.00 1.00 H new ATOM 0 HB3 ASN A 34 6.254 10.184 -19.367 1.00 1.00 H new ATOM 0 HD21 ASN A 34 6.111 6.841 -18.476 1.00 1.00 H new ATOM 0 HD22 ASN A 34 4.348 6.770 -18.381 1.00 1.00 H new ATOM 555 N GLN A 35 4.988 10.454 -22.229 1.00 1.00 N ATOM 556 CA GLN A 35 3.751 10.783 -22.917 1.00 1.00 C ATOM 557 C GLN A 35 3.720 10.069 -24.270 1.00 1.00 C ATOM 558 O GLN A 35 2.622 9.896 -24.820 1.00 1.00 O ATOM 559 CB GLN A 35 3.590 12.294 -23.090 1.00 1.00 C ATOM 560 CG GLN A 35 2.312 12.791 -22.410 1.00 1.00 C ATOM 561 CD GLN A 35 2.217 14.317 -22.471 1.00 1.00 C ATOM 562 OE1 GLN A 35 3.209 15.027 -22.467 1.00 1.00 O ATOM 563 NE2 GLN A 35 0.971 14.779 -22.526 1.00 1.00 N ATOM 0 H GLN A 35 5.604 11.252 -22.070 1.00 1.00 H new ATOM 0 HA GLN A 35 2.912 10.442 -22.311 1.00 1.00 H new ATOM 0 HB2 GLN A 35 4.454 12.806 -22.667 1.00 1.00 H new ATOM 0 HB3 GLN A 35 3.561 12.541 -24.151 1.00 1.00 H new ATOM 0 HG2 GLN A 35 1.442 12.349 -22.896 1.00 1.00 H new ATOM 0 HG3 GLN A 35 2.298 12.463 -21.371 1.00 1.00 H new ATOM 0 HE21 GLN A 35 0.185 14.128 -22.526 1.00 1.00 H new ATOM 0 HE22 GLN A 35 0.801 15.784 -22.568 1.00 1.00 H new ATOM 572 N THR A 36 4.904 9.676 -24.771 1.00 1.00 N ATOM 573 CA THR A 36 5.011 8.989 -26.047 1.00 1.00 C ATOM 574 C THR A 36 5.817 7.702 -25.862 1.00 1.00 C ATOM 575 O THR A 36 6.166 7.074 -26.873 1.00 1.00 O ATOM 576 CB THR A 36 5.623 9.948 -27.069 1.00 1.00 C ATOM 577 OG1 THR A 36 4.549 10.818 -27.416 1.00 1.00 O ATOM 578 CG2 THR A 36 5.978 9.253 -28.385 1.00 1.00 C ATOM 0 H THR A 36 5.797 9.828 -24.301 1.00 1.00 H new ATOM 0 HA THR A 36 4.033 8.693 -26.426 1.00 1.00 H new ATOM 0 HB THR A 36 6.518 10.405 -26.646 1.00 1.00 H new ATOM 0 HG1 THR A 36 4.859 11.474 -28.074 1.00 1.00 H new ATOM 0 HG21 THR A 36 6.409 9.979 -29.075 1.00 1.00 H new ATOM 0 HG22 THR A 36 6.701 8.460 -28.194 1.00 1.00 H new ATOM 0 HG23 THR A 36 5.077 8.824 -28.825 1.00 1.00 H new ATOM 586 N LYS A 37 6.093 7.341 -24.596 1.00 1.00 N ATOM 587 CA LYS A 37 6.852 6.141 -24.286 1.00 1.00 C ATOM 588 C LYS A 37 7.936 5.939 -25.347 1.00 1.00 C ATOM 589 O LYS A 37 8.102 4.801 -25.810 1.00 1.00 O ATOM 590 CB LYS A 37 5.915 4.942 -24.128 1.00 1.00 C ATOM 591 CG LYS A 37 4.908 5.177 -23.000 1.00 1.00 C ATOM 592 CD LYS A 37 3.493 5.353 -23.555 1.00 1.00 C ATOM 593 CE LYS A 37 2.973 4.046 -24.156 1.00 1.00 C ATOM 594 NZ LYS A 37 2.019 4.321 -25.242 1.00 1.00 N ATOM 0 H LYS A 37 5.796 7.872 -23.777 1.00 1.00 H new ATOM 0 HA LYS A 37 7.360 6.248 -23.328 1.00 1.00 H new ATOM 0 HB2 LYS A 37 5.384 4.765 -25.063 1.00 1.00 H new ATOM 0 HB3 LYS A 37 6.498 4.045 -23.918 1.00 1.00 H new ATOM 0 HG2 LYS A 37 4.929 4.335 -22.308 1.00 1.00 H new ATOM 0 HG3 LYS A 37 5.193 6.063 -22.433 1.00 1.00 H new ATOM 0 HD2 LYS A 37 2.825 5.683 -22.759 1.00 1.00 H new ATOM 0 HD3 LYS A 37 3.492 6.133 -24.316 1.00 1.00 H new ATOM 0 HE2 LYS A 37 3.807 3.457 -24.537 1.00 1.00 H new ATOM 0 HE3 LYS A 37 2.490 3.450 -23.382 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 1.676 3.423 -25.639 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 1.215 4.864 -24.868 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 2.491 4.871 -25.988 1.00 1.00 H new ATOM 608 N GLN A 38 8.639 7.028 -25.704 1.00 1.00 N ATOM 609 CA GLN A 38 9.695 6.970 -26.700 1.00 1.00 C ATOM 610 C GLN A 38 10.621 8.176 -26.527 1.00 1.00 C ATOM 611 O GLN A 38 10.215 9.140 -25.862 1.00 1.00 O ATOM 612 CB GLN A 38 9.126 6.915 -28.120 1.00 1.00 C ATOM 613 CG GLN A 38 9.806 5.817 -28.941 1.00 1.00 C ATOM 614 CD GLN A 38 9.978 6.249 -30.398 1.00 1.00 C ATOM 615 OE1 GLN A 38 10.891 6.977 -30.752 1.00 1.00 O ATOM 616 NE2 GLN A 38 9.054 5.762 -31.220 1.00 1.00 N ATOM 0 H GLN A 38 8.486 7.956 -25.310 1.00 1.00 H new ATOM 0 HA GLN A 38 10.266 6.054 -26.551 1.00 1.00 H new ATOM 0 HB2 GLN A 38 8.052 6.731 -28.079 1.00 1.00 H new ATOM 0 HB3 GLN A 38 9.266 7.879 -28.609 1.00 1.00 H new ATOM 0 HG2 GLN A 38 10.780 5.585 -28.509 1.00 1.00 H new ATOM 0 HG3 GLN A 38 9.212 4.904 -28.896 1.00 1.00 H new ATOM 0 HE21 GLN A 38 8.316 5.158 -30.858 1.00 1.00 H new ATOM 0 HE22 GLN A 38 9.082 5.993 -32.213 1.00 1.00 H new ATOM 625 N CYS A 39 11.826 8.100 -27.118 1.00 1.00 N ATOM 626 CA CYS A 39 12.797 9.177 -27.029 1.00 1.00 C ATOM 627 C CYS A 39 12.427 10.275 -28.029 1.00 1.00 C ATOM 628 O CYS A 39 12.478 10.012 -29.239 1.00 1.00 O ATOM 629 CB CYS A 39 14.219 8.659 -27.252 1.00 1.00 C ATOM 630 SG CYS A 39 14.855 7.587 -25.930 1.00 1.00 S ATOM 0 H CYS A 39 12.141 7.296 -27.662 1.00 1.00 H new ATOM 0 HA CYS A 39 12.774 9.600 -26.025 1.00 1.00 H new ATOM 0 HB2 CYS A 39 14.247 8.108 -28.192 1.00 1.00 H new ATOM 0 HB3 CYS A 39 14.888 9.512 -27.362 1.00 1.00 H new ATOM 636 N GLU A 40 12.067 11.464 -27.512 1.00 1.00 N ATOM 637 CA GLU A 40 11.693 12.588 -28.353 1.00 1.00 C ATOM 638 C GLU A 40 12.782 13.660 -28.279 1.00 1.00 C ATOM 639 O GLU A 40 13.453 13.747 -27.240 1.00 1.00 O ATOM 640 CB GLU A 40 10.332 13.160 -27.953 1.00 1.00 C ATOM 641 CG GLU A 40 9.263 12.811 -28.991 1.00 1.00 C ATOM 642 CD GLU A 40 8.868 14.043 -29.807 1.00 1.00 C ATOM 643 OE1 GLU A 40 8.242 14.968 -29.269 1.00 1.00 O ATOM 644 OE2 GLU A 40 9.235 14.019 -31.044 1.00 1.00 O ATOM 0 H GLU A 40 12.031 11.659 -26.512 1.00 1.00 H new ATOM 0 HA GLU A 40 11.601 12.240 -29.382 1.00 1.00 H new ATOM 0 HB2 GLU A 40 10.040 12.767 -26.979 1.00 1.00 H new ATOM 0 HB3 GLU A 40 10.405 14.243 -27.851 1.00 1.00 H new ATOM 0 HG2 GLU A 40 9.638 12.034 -29.657 1.00 1.00 H new ATOM 0 HG3 GLU A 40 8.384 12.405 -28.491 1.00 1.00 H new ATOM 651 N ARG A 41 12.933 14.441 -29.363 1.00 1.00 N ATOM 652 CA ARG A 41 13.931 15.495 -29.420 1.00 1.00 C ATOM 653 C ARG A 41 13.417 16.719 -28.659 1.00 1.00 C ATOM 654 O ARG A 41 12.242 17.072 -28.836 1.00 1.00 O ATOM 655 CB ARG A 41 14.248 15.895 -30.862 1.00 1.00 C ATOM 656 CG ARG A 41 15.662 15.462 -31.253 1.00 1.00 C ATOM 657 CD ARG A 41 15.701 14.961 -32.699 1.00 1.00 C ATOM 658 NE ARG A 41 15.077 15.957 -33.597 1.00 1.00 N ATOM 659 CZ ARG A 41 13.805 15.882 -34.044 1.00 1.00 C ATOM 660 NH1 ARG A 41 13.042 14.848 -33.662 1.00 1.00 N ATOM 661 NH2 ARG A 41 13.312 16.826 -34.856 1.00 1.00 N ATOM 0 H ARG A 41 12.369 14.352 -30.208 1.00 1.00 H new ATOM 0 HA ARG A 41 14.847 15.118 -28.964 1.00 1.00 H new ATOM 0 HB2 ARG A 41 13.524 15.438 -31.537 1.00 1.00 H new ATOM 0 HB3 ARG A 41 14.151 16.975 -30.973 1.00 1.00 H new ATOM 0 HG2 ARG A 41 16.349 16.300 -31.136 1.00 1.00 H new ATOM 0 HG3 ARG A 41 16.004 14.674 -30.582 1.00 1.00 H new ATOM 0 HD2 ARG A 41 16.732 14.781 -33.003 1.00 1.00 H new ATOM 0 HD3 ARG A 41 15.175 14.009 -32.777 1.00 1.00 H new ATOM 0 HE ARG A 41 15.643 16.750 -33.898 1.00 1.00 H new ATOM 0 HH11 ARG A 41 13.424 14.133 -33.043 1.00 1.00 H new ATOM 0 HH12 ARG A 41 12.079 14.776 -33.990 1.00 1.00 H new ATOM 0 HH21 ARG A 41 13.899 17.610 -35.142 1.00 1.00 H new ATOM 0 HH22 ARG A 41 12.350 16.761 -35.189 1.00 1.00 H new ATOM 675 N PHE A 42 14.292 17.332 -27.842 1.00 1.00 N ATOM 676 CA PHE A 42 13.929 18.504 -27.064 1.00 1.00 C ATOM 677 C PHE A 42 15.188 19.316 -26.754 1.00 1.00 C ATOM 678 O PHE A 42 16.293 18.783 -26.937 1.00 1.00 O ATOM 679 CB PHE A 42 13.233 18.055 -25.764 1.00 1.00 C ATOM 680 CG PHE A 42 14.177 17.776 -24.603 1.00 1.00 C ATOM 681 CD1 PHE A 42 15.018 16.639 -24.631 1.00 1.00 C ATOM 682 CD2 PHE A 42 14.224 18.652 -23.493 1.00 1.00 C ATOM 683 CE1 PHE A 42 15.896 16.380 -23.558 1.00 1.00 C ATOM 684 CE2 PHE A 42 15.104 18.392 -22.421 1.00 1.00 C ATOM 685 CZ PHE A 42 15.939 17.256 -22.452 1.00 1.00 C ATOM 0 H PHE A 42 15.256 17.025 -27.711 1.00 1.00 H new ATOM 0 HA PHE A 42 13.241 19.132 -27.629 1.00 1.00 H new ATOM 0 HB2 PHE A 42 12.525 18.826 -25.462 1.00 1.00 H new ATOM 0 HB3 PHE A 42 12.655 17.154 -25.969 1.00 1.00 H new ATOM 0 HD1 PHE A 42 14.988 15.967 -25.476 1.00 1.00 H new ATOM 0 HD2 PHE A 42 13.585 19.522 -23.466 1.00 1.00 H new ATOM 0 HE1 PHE A 42 16.536 15.510 -23.583 1.00 1.00 H new ATOM 0 HE2 PHE A 42 15.138 19.064 -21.576 1.00 1.00 H new ATOM 0 HZ PHE A 42 16.611 17.056 -21.630 1.00 1.00 H new ATOM 695 N LYS A 43 15.001 20.567 -26.297 1.00 1.00 N ATOM 696 CA LYS A 43 16.114 21.440 -25.965 1.00 1.00 C ATOM 697 C LYS A 43 16.722 21.000 -24.632 1.00 1.00 C ATOM 698 O LYS A 43 16.377 19.908 -24.158 1.00 1.00 O ATOM 699 CB LYS A 43 15.670 22.904 -25.986 1.00 1.00 C ATOM 700 CG LYS A 43 16.136 23.601 -27.265 1.00 1.00 C ATOM 701 CD LYS A 43 15.278 23.182 -28.461 1.00 1.00 C ATOM 702 CE LYS A 43 13.959 23.956 -28.487 1.00 1.00 C ATOM 703 NZ LYS A 43 13.160 23.573 -29.663 1.00 1.00 N ATOM 0 H LYS A 43 14.082 20.986 -26.153 1.00 1.00 H new ATOM 0 HA LYS A 43 16.900 21.358 -26.716 1.00 1.00 H new ATOM 0 HB2 LYS A 43 14.584 22.959 -25.913 1.00 1.00 H new ATOM 0 HB3 LYS A 43 16.075 23.423 -25.117 1.00 1.00 H new ATOM 0 HG2 LYS A 43 16.082 24.682 -27.135 1.00 1.00 H new ATOM 0 HG3 LYS A 43 17.180 23.355 -27.458 1.00 1.00 H new ATOM 0 HD2 LYS A 43 15.826 23.359 -29.386 1.00 1.00 H new ATOM 0 HD3 LYS A 43 15.075 22.112 -28.411 1.00 1.00 H new ATOM 0 HE2 LYS A 43 13.395 23.756 -27.576 1.00 1.00 H new ATOM 0 HE3 LYS A 43 14.159 25.027 -28.509 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 12.268 24.108 -29.666 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 13.694 23.786 -30.530 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 12.953 22.554 -29.625 1.00 1.00 H new ATOM 717 N TYR A 44 17.600 21.845 -24.063 1.00 1.00 N ATOM 718 CA TYR A 44 18.217 21.484 -22.798 1.00 1.00 C ATOM 719 C TYR A 44 18.965 22.694 -22.236 1.00 1.00 C ATOM 720 O TYR A 44 20.099 22.513 -21.768 1.00 1.00 O ATOM 721 CB TYR A 44 19.150 20.276 -22.999 1.00 1.00 C ATOM 722 CG TYR A 44 20.006 19.931 -21.788 1.00 1.00 C ATOM 723 CD1 TYR A 44 19.494 20.118 -20.483 1.00 1.00 C ATOM 724 CD2 TYR A 44 21.313 19.418 -21.958 1.00 1.00 C ATOM 725 CE1 TYR A 44 20.282 19.797 -19.358 1.00 1.00 C ATOM 726 CE2 TYR A 44 22.101 19.097 -20.832 1.00 1.00 C ATOM 727 CZ TYR A 44 21.587 19.287 -19.531 1.00 1.00 C ATOM 728 OH TYR A 44 22.347 18.978 -18.439 1.00 1.00 O ATOM 0 H TYR A 44 17.883 22.746 -24.449 1.00 1.00 H new ATOM 0 HA TYR A 44 17.453 21.194 -22.076 1.00 1.00 H new ATOM 0 HB2 TYR A 44 18.547 19.407 -23.261 1.00 1.00 H new ATOM 0 HB3 TYR A 44 19.806 20.476 -23.846 1.00 1.00 H new ATOM 0 HD1 TYR A 44 18.496 20.508 -20.347 1.00 1.00 H new ATOM 0 HD2 TYR A 44 21.709 19.272 -22.952 1.00 1.00 H new ATOM 0 HE1 TYR A 44 19.887 19.942 -18.363 1.00 1.00 H new ATOM 0 HE2 TYR A 44 23.099 18.705 -20.966 1.00 1.00 H new ATOM 0 HH TYR A 44 23.218 18.638 -18.732 1.00 1.00 H new ATOM 789 N ASN A 50 17.298 17.163 -15.038 1.00 1.00 N ATOM 790 CA ASN A 50 17.016 15.788 -14.662 1.00 1.00 C ATOM 791 C ASN A 50 18.025 14.861 -15.343 1.00 1.00 C ATOM 792 O ASN A 50 19.021 15.366 -15.882 1.00 1.00 O ATOM 793 CB ASN A 50 15.614 15.371 -15.110 1.00 1.00 C ATOM 794 CG ASN A 50 15.522 15.307 -16.636 1.00 1.00 C ATOM 795 OD1 ASN A 50 16.507 15.418 -17.348 1.00 1.00 O ATOM 796 ND2 ASN A 50 14.288 15.123 -17.097 1.00 1.00 N ATOM 0 HA ASN A 50 17.085 15.714 -13.577 1.00 1.00 H new ATOM 0 HB2 ASN A 50 15.368 14.397 -14.686 1.00 1.00 H new ATOM 0 HB3 ASN A 50 14.880 16.080 -14.727 1.00 1.00 H new ATOM 0 HD21 ASN A 50 14.122 15.067 -18.102 1.00 1.00 H new ATOM 0 HD22 ASN A 50 13.508 15.038 -16.446 1.00 1.00 H new ATOM 803 N MET A 51 17.753 13.544 -15.305 1.00 1.00 N ATOM 804 CA MET A 51 18.631 12.559 -15.913 1.00 1.00 C ATOM 805 C MET A 51 18.125 12.231 -17.320 1.00 1.00 C ATOM 806 O MET A 51 18.936 11.795 -18.151 1.00 1.00 O ATOM 807 CB MET A 51 18.661 11.282 -15.071 1.00 1.00 C ATOM 808 CG MET A 51 19.876 11.266 -14.142 1.00 1.00 C ATOM 809 SD MET A 51 20.450 9.560 -13.897 1.00 1.00 S ATOM 810 CE MET A 51 21.226 9.253 -15.511 1.00 1.00 C ATOM 0 H MET A 51 16.927 13.148 -14.856 1.00 1.00 H new ATOM 0 HA MET A 51 19.640 12.968 -15.968 1.00 1.00 H new ATOM 0 HB2 MET A 51 17.747 11.209 -14.481 1.00 1.00 H new ATOM 0 HB3 MET A 51 18.688 10.411 -15.726 1.00 1.00 H new ATOM 0 HG2 MET A 51 20.677 11.870 -14.568 1.00 1.00 H new ATOM 0 HG3 MET A 51 19.616 11.712 -13.182 1.00 1.00 H new ATOM 0 HE1 MET A 51 21.963 8.456 -15.415 1.00 1.00 H new ATOM 0 HE2 MET A 51 20.463 8.957 -16.231 1.00 1.00 H new ATOM 0 HE3 MET A 51 21.718 10.162 -15.857 1.00 1.00 H new ATOM 820 N ASN A 52 16.818 12.444 -17.555 1.00 1.00 N ATOM 821 CA ASN A 52 16.214 12.173 -18.848 1.00 1.00 C ATOM 822 C ASN A 52 16.657 13.243 -19.848 1.00 1.00 C ATOM 823 O ASN A 52 15.788 13.946 -20.383 1.00 1.00 O ATOM 824 CB ASN A 52 14.687 12.210 -18.762 1.00 1.00 C ATOM 825 CG ASN A 52 14.055 11.342 -19.852 1.00 1.00 C ATOM 826 OD1 ASN A 52 14.559 10.293 -20.216 1.00 1.00 O ATOM 827 ND2 ASN A 52 12.925 11.837 -20.350 1.00 1.00 N ATOM 0 H ASN A 52 16.168 12.804 -16.856 1.00 1.00 H new ATOM 0 HA ASN A 52 16.533 11.181 -19.167 1.00 1.00 H new ATOM 0 HB2 ASN A 52 14.366 11.859 -17.781 1.00 1.00 H new ATOM 0 HB3 ASN A 52 14.338 13.238 -18.863 1.00 1.00 H new ATOM 0 HD21 ASN A 52 12.426 11.332 -21.082 1.00 1.00 H new ATOM 0 HD22 ASN A 52 12.558 12.722 -20.000 1.00 1.00 H new ATOM 834 N ASN A 53 17.979 13.344 -20.075 1.00 1.00 N ATOM 835 CA ASN A 53 18.529 14.320 -21.001 1.00 1.00 C ATOM 836 C ASN A 53 19.693 13.689 -21.769 1.00 1.00 C ATOM 837 O ASN A 53 20.826 13.741 -21.269 1.00 1.00 O ATOM 838 CB ASN A 53 19.063 15.545 -20.257 1.00 1.00 C ATOM 839 CG ASN A 53 20.168 16.236 -21.060 1.00 1.00 C ATOM 840 OD1 ASN A 53 19.953 16.253 -22.372 1.00 1.00 O flip ATOM 841 ND2 ASN A 53 21.150 16.720 -20.523 1.00 1.00 N flip ATOM 0 H ASN A 53 18.678 12.755 -19.623 1.00 1.00 H new ATOM 0 HA ASN A 53 17.732 14.628 -21.678 1.00 1.00 H new ATOM 0 HB2 ASN A 53 18.249 16.247 -20.073 1.00 1.00 H new ATOM 0 HB3 ASN A 53 19.450 15.244 -19.284 1.00 1.00 H new ATOM 0 HD21 ASN A 53 21.253 16.672 -19.509 1.00 1.00 H new ATOM 0 HD22 ASN A 53 21.869 17.173 -21.088 1.00 1.00 H new ATOM 848 N PHE A 54 19.395 13.114 -22.948 1.00 1.00 N ATOM 849 CA PHE A 54 20.409 12.481 -23.773 1.00 1.00 C ATOM 850 C PHE A 54 20.794 13.424 -24.914 1.00 1.00 C ATOM 851 O PHE A 54 20.100 14.433 -25.105 1.00 1.00 O ATOM 852 CB PHE A 54 19.857 11.152 -24.325 1.00 1.00 C ATOM 853 CG PHE A 54 19.361 10.180 -23.262 1.00 1.00 C ATOM 854 CD1 PHE A 54 18.025 10.244 -22.803 1.00 1.00 C ATOM 855 CD2 PHE A 54 20.239 9.211 -22.724 1.00 1.00 C ATOM 856 CE1 PHE A 54 17.571 9.344 -21.815 1.00 1.00 C ATOM 857 CE2 PHE A 54 19.784 8.312 -21.736 1.00 1.00 C ATOM 858 CZ PHE A 54 18.450 8.378 -21.282 1.00 1.00 C ATOM 0 H PHE A 54 18.454 13.081 -23.341 1.00 1.00 H new ATOM 0 HA PHE A 54 21.299 12.271 -23.180 1.00 1.00 H new ATOM 0 HB2 PHE A 54 19.037 11.371 -25.009 1.00 1.00 H new ATOM 0 HB3 PHE A 54 20.638 10.664 -24.909 1.00 1.00 H new ATOM 0 HD1 PHE A 54 17.351 10.983 -23.209 1.00 1.00 H new ATOM 0 HD2 PHE A 54 21.261 9.159 -23.070 1.00 1.00 H new ATOM 0 HE1 PHE A 54 16.550 9.395 -21.467 1.00 1.00 H new ATOM 0 HE2 PHE A 54 20.457 7.573 -21.327 1.00 1.00 H new ATOM 0 HZ PHE A 54 18.102 7.689 -20.527 1.00 1.00 H new ATOM 868 N GLU A 55 21.875 13.084 -25.638 1.00 1.00 N ATOM 869 CA GLU A 55 22.345 13.895 -26.749 1.00 1.00 C ATOM 870 C GLU A 55 21.912 13.248 -28.066 1.00 1.00 C ATOM 871 O GLU A 55 21.576 13.988 -29.003 1.00 1.00 O ATOM 872 CB GLU A 55 23.863 14.084 -26.704 1.00 1.00 C ATOM 873 CG GLU A 55 24.320 14.524 -25.312 1.00 1.00 C ATOM 874 CD GLU A 55 25.795 14.929 -25.322 1.00 1.00 C ATOM 875 OE1 GLU A 55 26.629 13.957 -25.175 1.00 1.00 O ATOM 876 OE2 GLU A 55 26.110 16.121 -25.463 1.00 1.00 O ATOM 0 H GLU A 55 22.434 12.248 -25.464 1.00 1.00 H new ATOM 0 HA GLU A 55 21.899 14.887 -26.671 1.00 1.00 H new ATOM 0 HB2 GLU A 55 24.357 13.151 -26.975 1.00 1.00 H new ATOM 0 HB3 GLU A 55 24.162 14.829 -27.441 1.00 1.00 H new ATOM 0 HG2 GLU A 55 23.711 15.362 -24.974 1.00 1.00 H new ATOM 0 HG3 GLU A 55 24.167 13.712 -24.601 1.00 1.00 H new ATOM 883 N THR A 56 21.927 11.904 -28.111 1.00 1.00 N ATOM 884 CA THR A 56 21.538 11.170 -29.303 1.00 1.00 C ATOM 885 C THR A 56 20.316 10.306 -28.988 1.00 1.00 C ATOM 886 O THR A 56 20.097 10.001 -27.806 1.00 1.00 O ATOM 887 CB THR A 56 22.742 10.363 -29.794 1.00 1.00 C ATOM 888 OG1 THR A 56 23.383 9.932 -28.597 1.00 1.00 O ATOM 889 CG2 THR A 56 23.791 11.237 -30.485 1.00 1.00 C ATOM 0 H THR A 56 22.207 11.313 -27.328 1.00 1.00 H new ATOM 0 HA THR A 56 21.246 11.842 -30.110 1.00 1.00 H new ATOM 0 HB THR A 56 22.403 9.590 -30.483 1.00 1.00 H new ATOM 0 HG1 THR A 56 24.174 9.400 -28.823 1.00 1.00 H new ATOM 0 HG21 THR A 56 24.623 10.615 -30.814 1.00 1.00 H new ATOM 0 HG22 THR A 56 23.343 11.729 -31.348 1.00 1.00 H new ATOM 0 HG23 THR A 56 24.155 11.990 -29.786 1.00 1.00 H new ATOM 897 N LEU A 57 19.555 9.934 -30.034 1.00 1.00 N ATOM 898 CA LEU A 57 18.367 9.114 -29.869 1.00 1.00 C ATOM 899 C LEU A 57 18.780 7.711 -29.418 1.00 1.00 C ATOM 900 O LEU A 57 18.258 7.243 -28.396 1.00 1.00 O ATOM 901 CB LEU A 57 17.526 9.127 -31.146 1.00 1.00 C ATOM 902 CG LEU A 57 16.090 8.616 -31.010 1.00 1.00 C ATOM 903 CD1 LEU A 57 15.169 9.709 -30.464 1.00 1.00 C ATOM 904 CD2 LEU A 57 15.582 8.047 -32.335 1.00 1.00 C ATOM 0 H LEU A 57 19.753 10.195 -31.000 1.00 1.00 H new ATOM 0 HA LEU A 57 17.726 9.524 -29.089 1.00 1.00 H new ATOM 0 HB2 LEU A 57 17.492 10.149 -31.525 1.00 1.00 H new ATOM 0 HB3 LEU A 57 18.035 8.525 -31.898 1.00 1.00 H new ATOM 0 HG LEU A 57 16.085 7.800 -30.287 1.00 1.00 H new ATOM 0 HD11 LEU A 57 14.154 9.320 -30.377 1.00 1.00 H new ATOM 0 HD12 LEU A 57 15.522 10.025 -29.482 1.00 1.00 H new ATOM 0 HD13 LEU A 57 15.174 10.562 -31.143 1.00 1.00 H new ATOM 0 HD21 LEU A 57 14.559 7.691 -32.210 1.00 1.00 H new ATOM 0 HD22 LEU A 57 15.605 8.825 -33.098 1.00 1.00 H new ATOM 0 HD23 LEU A 57 16.219 7.218 -32.643 1.00 1.00 H new ATOM 916 N GLU A 58 19.694 7.080 -30.177 1.00 1.00 N ATOM 917 CA GLU A 58 20.169 5.744 -29.857 1.00 1.00 C ATOM 918 C GLU A 58 20.691 5.724 -28.419 1.00 1.00 C ATOM 919 O GLU A 58 20.623 4.663 -27.782 1.00 1.00 O ATOM 920 CB GLU A 58 21.249 5.283 -30.839 1.00 1.00 C ATOM 921 CG GLU A 58 21.010 3.836 -31.275 1.00 1.00 C ATOM 922 CD GLU A 58 22.106 3.364 -32.233 1.00 1.00 C ATOM 923 OE1 GLU A 58 21.983 3.548 -33.453 1.00 1.00 O ATOM 924 OE2 GLU A 58 23.113 2.789 -31.669 1.00 1.00 O ATOM 0 H GLU A 58 20.112 7.484 -31.015 1.00 1.00 H new ATOM 0 HA GLU A 58 19.337 5.045 -29.947 1.00 1.00 H new ATOM 0 HB2 GLU A 58 21.253 5.934 -31.713 1.00 1.00 H new ATOM 0 HB3 GLU A 58 22.231 5.369 -30.373 1.00 1.00 H new ATOM 0 HG2 GLU A 58 20.984 3.188 -30.399 1.00 1.00 H new ATOM 0 HG3 GLU A 58 20.038 3.755 -31.761 1.00 1.00 H new ATOM 931 N GLU A 59 21.193 6.878 -27.944 1.00 1.00 N ATOM 932 CA GLU A 59 21.720 6.991 -26.595 1.00 1.00 C ATOM 933 C GLU A 59 20.563 6.949 -25.595 1.00 1.00 C ATOM 934 O GLU A 59 20.662 6.202 -24.610 1.00 1.00 O ATOM 935 CB GLU A 59 22.550 8.264 -26.420 1.00 1.00 C ATOM 936 CG GLU A 59 22.866 8.515 -24.944 1.00 1.00 C ATOM 937 CD GLU A 59 24.376 8.589 -24.712 1.00 1.00 C ATOM 938 OE1 GLU A 59 24.978 7.449 -24.671 1.00 1.00 O ATOM 939 OE2 GLU A 59 24.929 9.691 -24.578 1.00 1.00 O ATOM 0 H GLU A 59 21.240 7.741 -28.485 1.00 1.00 H new ATOM 0 HA GLU A 59 22.387 6.149 -26.409 1.00 1.00 H new ATOM 0 HB2 GLU A 59 23.478 8.177 -26.985 1.00 1.00 H new ATOM 0 HB3 GLU A 59 22.006 9.116 -26.829 1.00 1.00 H new ATOM 0 HG2 GLU A 59 22.399 9.445 -24.621 1.00 1.00 H new ATOM 0 HG3 GLU A 59 22.440 7.717 -24.336 1.00 1.00 H new ATOM 946 N CYS A 60 19.507 7.737 -25.862 1.00 1.00 N ATOM 947 CA CYS A 60 18.344 7.789 -24.992 1.00 1.00 C ATOM 948 C CYS A 60 17.600 6.455 -25.064 1.00 1.00 C ATOM 949 O CYS A 60 16.941 6.093 -24.077 1.00 1.00 O ATOM 950 CB CYS A 60 17.438 8.968 -25.351 1.00 1.00 C ATOM 951 SG CYS A 60 15.873 9.035 -24.431 1.00 1.00 S ATOM 0 H CYS A 60 19.446 8.345 -26.679 1.00 1.00 H new ATOM 0 HA CYS A 60 18.669 7.949 -23.964 1.00 1.00 H new ATOM 0 HB2 CYS A 60 17.985 9.894 -25.177 1.00 1.00 H new ATOM 0 HB3 CYS A 60 17.215 8.925 -26.417 1.00 1.00 H new ATOM 957 N LYS A 61 17.716 5.760 -26.210 1.00 1.00 N ATOM 958 CA LYS A 61 17.058 4.479 -26.404 1.00 1.00 C ATOM 959 C LYS A 61 17.863 3.385 -25.700 1.00 1.00 C ATOM 960 O LYS A 61 17.266 2.616 -24.932 1.00 1.00 O ATOM 961 CB LYS A 61 16.833 4.215 -27.894 1.00 1.00 C ATOM 962 CG LYS A 61 16.090 5.379 -28.552 1.00 1.00 C ATOM 963 CD LYS A 61 14.870 4.881 -29.330 1.00 1.00 C ATOM 964 CE LYS A 61 13.634 5.724 -29.009 1.00 1.00 C ATOM 965 NZ LYS A 61 13.434 6.759 -30.037 1.00 1.00 N ATOM 0 H LYS A 61 18.263 6.075 -27.011 1.00 1.00 H new ATOM 0 HA LYS A 61 16.067 4.486 -25.951 1.00 1.00 H new ATOM 0 HB2 LYS A 61 17.792 4.065 -28.389 1.00 1.00 H new ATOM 0 HB3 LYS A 61 16.261 3.296 -28.022 1.00 1.00 H new ATOM 0 HG2 LYS A 61 15.774 6.091 -27.789 1.00 1.00 H new ATOM 0 HG3 LYS A 61 16.763 5.911 -29.225 1.00 1.00 H new ATOM 0 HD2 LYS A 61 15.075 4.922 -30.400 1.00 1.00 H new ATOM 0 HD3 LYS A 61 14.677 3.837 -29.082 1.00 1.00 H new ATOM 0 HE2 LYS A 61 12.754 5.083 -28.954 1.00 1.00 H new ATOM 0 HE3 LYS A 61 13.750 6.192 -28.031 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 12.453 7.103 -29.998 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 14.085 7.551 -29.864 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 13.622 6.356 -30.977 1.00 1.00 H new ATOM 979 N ASN A 62 19.180 3.337 -25.971 1.00 1.00 N ATOM 980 CA ASN A 62 20.054 2.346 -25.367 1.00 1.00 C ATOM 981 C ASN A 62 19.878 2.375 -23.848 1.00 1.00 C ATOM 982 O ASN A 62 19.788 1.296 -23.244 1.00 1.00 O ATOM 983 CB ASN A 62 21.522 2.645 -25.679 1.00 1.00 C ATOM 984 CG ASN A 62 22.377 1.382 -25.554 1.00 1.00 C ATOM 985 OD1 ASN A 62 22.705 0.927 -24.471 1.00 1.00 O ATOM 986 ND2 ASN A 62 22.718 0.842 -26.721 1.00 1.00 N ATOM 0 H ASN A 62 19.652 3.980 -26.607 1.00 1.00 H new ATOM 0 HA ASN A 62 19.790 1.370 -25.774 1.00 1.00 H new ATOM 0 HB2 ASN A 62 21.608 3.049 -26.688 1.00 1.00 H new ATOM 0 HB3 ASN A 62 21.894 3.409 -24.997 1.00 1.00 H new ATOM 0 HD21 ASN A 62 23.288 -0.004 -26.745 1.00 1.00 H new ATOM 0 HD22 ASN A 62 22.410 1.274 -27.592 1.00 1.00 H new ATOM 993 N ILE A 63 19.834 3.588 -23.269 1.00 1.00 N ATOM 994 CA ILE A 63 19.670 3.752 -21.835 1.00 1.00 C ATOM 995 C ILE A 63 18.208 3.500 -21.461 1.00 1.00 C ATOM 996 O ILE A 63 17.961 2.661 -20.583 1.00 1.00 O ATOM 997 CB ILE A 63 20.192 5.120 -21.389 1.00 1.00 C ATOM 998 CG1 ILE A 63 21.715 5.105 -21.245 1.00 1.00 C ATOM 999 CG2 ILE A 63 19.500 5.578 -20.104 1.00 1.00 C ATOM 1000 CD1 ILE A 63 22.394 5.493 -22.560 1.00 1.00 C ATOM 0 H ILE A 63 19.911 4.465 -23.784 1.00 1.00 H new ATOM 0 HA ILE A 63 20.268 3.017 -21.297 1.00 1.00 H new ATOM 0 HB ILE A 63 19.949 5.848 -22.163 1.00 1.00 H new ATOM 0 HG12 ILE A 63 22.016 5.797 -20.458 1.00 1.00 H new ATOM 0 HG13 ILE A 63 22.045 4.112 -20.940 1.00 1.00 H new ATOM 0 HG21 ILE A 63 19.889 6.552 -19.809 1.00 1.00 H new ATOM 0 HG22 ILE A 63 18.426 5.653 -20.276 1.00 1.00 H new ATOM 0 HG23 ILE A 63 19.691 4.856 -19.311 1.00 1.00 H new ATOM 0 HD11 ILE A 63 23.476 5.474 -22.430 1.00 1.00 H new ATOM 0 HD12 ILE A 63 22.110 4.785 -23.339 1.00 1.00 H new ATOM 0 HD13 ILE A 63 22.080 6.496 -22.849 1.00 1.00 H new ATOM 1012 N CYS A 64 17.285 4.220 -22.122 1.00 1.00 N ATOM 1013 CA CYS A 64 15.863 4.074 -21.861 1.00 1.00 C ATOM 1014 C CYS A 64 15.339 2.835 -22.588 1.00 1.00 C ATOM 1015 O CYS A 64 15.354 1.749 -21.990 1.00 1.00 O ATOM 1016 CB CYS A 64 15.096 5.337 -22.260 1.00 1.00 C ATOM 1017 SG CYS A 64 15.819 6.891 -21.655 1.00 1.00 S ATOM 0 H CYS A 64 17.510 4.908 -22.841 1.00 1.00 H new ATOM 0 HA CYS A 64 15.705 3.939 -20.791 1.00 1.00 H new ATOM 0 HB2 CYS A 64 15.035 5.380 -23.347 1.00 1.00 H new ATOM 0 HB3 CYS A 64 14.075 5.258 -21.887 1.00 1.00 H new ATOM 0 HG CYS A 64 16.171 6.751 -20.412 1.00 1.00 H new ATOM 1023 N GLU A 65 14.892 3.017 -23.844 1.00 1.00 N ATOM 1024 CA GLU A 65 14.370 1.921 -24.642 1.00 1.00 C ATOM 1025 C GLU A 65 15.067 0.622 -24.236 1.00 1.00 C ATOM 1026 O GLU A 65 14.401 -0.423 -24.214 1.00 1.00 O ATOM 1027 CB GLU A 65 14.536 2.188 -26.139 1.00 1.00 C ATOM 1028 CG GLU A 65 13.359 2.999 -26.686 1.00 1.00 C ATOM 1029 CD GLU A 65 12.965 2.519 -28.084 1.00 1.00 C ATOM 1030 OE1 GLU A 65 13.642 1.651 -28.656 1.00 1.00 O ATOM 1031 OE2 GLU A 65 11.914 3.081 -28.577 1.00 1.00 O ATOM 0 H GLU A 65 14.887 3.920 -24.319 1.00 1.00 H new ATOM 0 HA GLU A 65 13.301 1.829 -24.452 1.00 1.00 H new ATOM 0 HB2 GLU A 65 15.467 2.728 -26.315 1.00 1.00 H new ATOM 0 HB3 GLU A 65 14.610 1.242 -26.675 1.00 1.00 H new ATOM 0 HG2 GLU A 65 12.506 2.909 -26.013 1.00 1.00 H new ATOM 0 HG3 GLU A 65 13.626 4.055 -26.722 1.00 1.00 H new ATOM 1038 N ASP A 66 16.373 0.711 -23.927 1.00 1.00 N ATOM 1039 CA ASP A 66 17.150 -0.450 -23.525 1.00 1.00 C ATOM 1040 C ASP A 66 17.147 -1.477 -24.659 1.00 1.00 C ATOM 1041 O ASP A 66 16.535 -1.203 -25.701 1.00 1.00 O ATOM 1042 CB ASP A 66 16.549 -1.113 -22.285 1.00 1.00 C ATOM 1043 CG ASP A 66 15.432 -2.121 -22.567 1.00 1.00 C ATOM 1044 OD1 ASP A 66 15.662 -3.174 -23.180 1.00 1.00 O ATOM 1045 OD2 ASP A 66 14.269 -1.784 -22.124 1.00 1.00 O ATOM 0 H ASP A 66 16.903 1.582 -23.952 1.00 1.00 H new ATOM 0 HA ASP A 66 18.163 -0.116 -23.300 1.00 1.00 H new ATOM 0 HB2 ASP A 66 17.346 -1.619 -21.740 1.00 1.00 H new ATOM 0 HB3 ASP A 66 16.159 -0.335 -21.629 1.00 1.00 H new