USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 513 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 62 THR OG1 : rot 180:sc= 0.198 USER MOD Set 1.2: A 65 LYS NZ :NH3+ -151:sc= 0.266 (180deg=-0.629) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -54:sc= -2.73 USER MOD Single : A 22 MET CE :methyl -161:sc= -6.68 (180deg=-9.01!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 30:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 1.09 K(o=1.1,f=-0.23) USER MOD Single : A 29 ASN : amide:sc= -0.0299 K(o=-0.03,f=-1.9) USER MOD Single : A 30 GLN : amide:sc= -5.41! C(o=-5.4!,f=-4.9!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 1.02 K(o=1,f=-0.13) USER MOD Single : A 44 CYS SG : rot 180:sc= -1.77 USER MOD Single : A 45 ASN : amide:sc= 0.187 K(o=0.19,f=-9.6!) USER MOD Single : A 49 GLN : amide:sc= -0.801 K(o=-0.8,f=-8.6!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 155:sc= -0.283 (180deg=-1.13!) USER MOD Single : A 54 LYS NZ :NH3+ 160:sc= 0.575 (180deg=0.385) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= -0.0344 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.0175 X(o=-0.017,f=-0.2) USER MOD Single : A 75 LYS NZ :NH3+ 143:sc= -0.912 (180deg=-2.64!) USER MOD ----------------------------------------------------------------- ATOM 166 N TRP A 14 11.168 -10.156 -1.980 1.00 0.00 N ATOM 167 CA TRP A 14 10.305 -11.096 -2.687 1.00 0.00 C ATOM 168 C TRP A 14 10.834 -11.370 -4.091 1.00 0.00 C ATOM 169 O TRP A 14 11.272 -10.455 -4.789 1.00 0.00 O ATOM 170 CB TRP A 14 8.878 -10.551 -2.764 1.00 0.00 C ATOM 171 CG TRP A 14 8.045 -10.897 -1.566 1.00 0.00 C ATOM 172 CD1 TRP A 14 7.627 -10.045 -0.585 1.00 0.00 C ATOM 173 CD2 TRP A 14 7.531 -12.189 -1.224 1.00 0.00 C ATOM 174 NE1 TRP A 14 6.885 -10.729 0.347 1.00 0.00 N ATOM 175 CE2 TRP A 14 6.810 -12.046 -0.023 1.00 0.00 C ATOM 176 CE3 TRP A 14 7.608 -13.452 -1.817 1.00 0.00 C ATOM 177 CZ2 TRP A 14 6.173 -13.119 0.595 1.00 0.00 C ATOM 178 CZ3 TRP A 14 6.976 -14.516 -1.202 1.00 0.00 C ATOM 179 CH2 TRP A 14 6.265 -14.344 -0.007 1.00 0.00 C ATOM 0 HA TRP A 14 10.299 -12.034 -2.132 1.00 0.00 H new ATOM 0 HB2 TRP A 14 8.916 -9.467 -2.871 1.00 0.00 H new ATOM 0 HB3 TRP A 14 8.395 -10.943 -3.659 1.00 0.00 H new ATOM 0 HD1 TRP A 14 7.847 -8.988 -0.547 1.00 0.00 H new ATOM 0 HE1 TRP A 14 6.459 -10.322 1.180 1.00 0.00 H new ATOM 0 HE3 TRP A 14 8.152 -13.594 -2.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.626 -12.989 1.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 7.031 -15.497 -1.650 1.00 0.00 H new ATOM 0 HH2 TRP A 14 5.780 -15.195 0.448 1.00 0.00 H new ATOM 190 N ARG A 15 10.790 -12.634 -4.499 1.00 0.00 N ATOM 191 CA ARG A 15 11.265 -13.027 -5.820 1.00 0.00 C ATOM 192 C ARG A 15 10.143 -12.941 -6.850 1.00 0.00 C ATOM 193 O ARG A 15 8.971 -13.137 -6.526 1.00 0.00 O ATOM 194 CB ARG A 15 11.828 -14.449 -5.780 1.00 0.00 C ATOM 195 CG ARG A 15 13.011 -14.609 -4.840 1.00 0.00 C ATOM 196 CD ARG A 15 14.255 -13.928 -5.388 1.00 0.00 C ATOM 197 NE ARG A 15 15.193 -13.566 -4.328 1.00 0.00 N ATOM 198 CZ ARG A 15 16.184 -12.697 -4.489 1.00 0.00 C ATOM 199 NH1 ARG A 15 16.366 -12.103 -5.660 1.00 0.00 N ATOM 200 NH2 ARG A 15 16.997 -12.420 -3.477 1.00 0.00 N ATOM 0 H ARG A 15 10.430 -13.403 -3.934 1.00 0.00 H new ATOM 0 HA ARG A 15 12.057 -12.338 -6.114 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.038 -15.135 -5.476 1.00 0.00 H new ATOM 0 HB3 ARG A 15 12.132 -14.739 -6.786 1.00 0.00 H new ATOM 0 HG2 ARG A 15 12.763 -14.187 -3.866 1.00 0.00 H new ATOM 0 HG3 ARG A 15 13.213 -15.669 -4.686 1.00 0.00 H new ATOM 0 HD2 ARG A 15 14.749 -14.592 -6.098 1.00 0.00 H new ATOM 0 HD3 ARG A 15 13.966 -13.032 -5.937 1.00 0.00 H new ATOM 0 HE ARG A 15 15.080 -14.005 -3.414 1.00 0.00 H new ATOM 0 HH11 ARG A 15 15.744 -12.313 -6.441 1.00 0.00 H new ATOM 0 HH12 ARG A 15 17.128 -11.436 -5.780 1.00 0.00 H new ATOM 0 HH21 ARG A 15 16.861 -12.875 -2.574 1.00 0.00 H new ATOM 0 HH22 ARG A 15 17.758 -11.752 -3.602 1.00 0.00 H new ATOM 214 N LYS A 16 10.509 -12.647 -8.093 1.00 0.00 N ATOM 215 CA LYS A 16 9.534 -12.536 -9.172 1.00 0.00 C ATOM 216 C LYS A 16 8.765 -13.841 -9.347 1.00 0.00 C ATOM 217 O LYS A 16 7.603 -13.837 -9.752 1.00 0.00 O ATOM 218 CB LYS A 16 10.233 -12.164 -10.482 1.00 0.00 C ATOM 219 CG LYS A 16 10.353 -10.666 -10.703 1.00 0.00 C ATOM 220 CD LYS A 16 9.064 -10.078 -11.253 1.00 0.00 C ATOM 221 CE LYS A 16 8.956 -10.281 -12.756 1.00 0.00 C ATOM 222 NZ LYS A 16 7.610 -9.904 -13.272 1.00 0.00 N ATOM 0 H LYS A 16 11.474 -12.481 -8.378 1.00 0.00 H new ATOM 0 HA LYS A 16 8.826 -11.750 -8.909 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.230 -12.605 -10.490 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.683 -12.603 -11.315 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.604 -10.177 -9.762 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.171 -10.464 -11.395 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.211 -10.544 -10.760 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.022 -9.013 -11.025 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.718 -9.685 -13.259 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.158 -11.325 -12.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.577 -10.057 -14.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.885 -10.490 -12.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.427 -8.901 -13.065 1.00 0.00 H new ATOM 236 N GLU A 17 9.420 -14.955 -9.038 1.00 0.00 N ATOM 237 CA GLU A 17 8.796 -16.268 -9.161 1.00 0.00 C ATOM 238 C GLU A 17 7.708 -16.453 -8.107 1.00 0.00 C ATOM 239 O GLU A 17 6.609 -16.919 -8.410 1.00 0.00 O ATOM 240 CB GLU A 17 9.847 -17.371 -9.024 1.00 0.00 C ATOM 241 CG GLU A 17 11.074 -17.155 -9.894 1.00 0.00 C ATOM 242 CD GLU A 17 12.087 -16.227 -9.253 1.00 0.00 C ATOM 243 OE1 GLU A 17 12.555 -16.538 -8.138 1.00 0.00 O ATOM 244 OE2 GLU A 17 12.412 -15.189 -9.867 1.00 0.00 O ATOM 0 H GLU A 17 10.382 -14.975 -8.701 1.00 0.00 H new ATOM 0 HA GLU A 17 8.337 -16.334 -10.148 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.158 -17.437 -7.982 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.393 -18.328 -9.282 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.545 -18.117 -10.097 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.766 -16.742 -10.855 1.00 0.00 H new ATOM 251 N CYS A 18 8.022 -16.086 -6.870 1.00 0.00 N ATOM 252 CA CYS A 18 7.072 -16.213 -5.770 1.00 0.00 C ATOM 253 C CYS A 18 5.973 -15.160 -5.877 1.00 0.00 C ATOM 254 O CYS A 18 4.857 -15.361 -5.396 1.00 0.00 O ATOM 255 CB CYS A 18 7.793 -16.081 -4.428 1.00 0.00 C ATOM 256 SG CYS A 18 9.365 -16.971 -4.344 1.00 0.00 S ATOM 0 H CYS A 18 8.927 -15.698 -6.603 1.00 0.00 H new ATOM 0 HA CYS A 18 6.612 -17.199 -5.831 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.974 -15.025 -4.227 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.138 -16.447 -3.638 1.00 0.00 H new ATOM 0 HG CYS A 18 9.178 -18.215 -4.673 1.00 0.00 H new ATOM 262 N LEU A 19 6.297 -14.037 -6.508 1.00 0.00 N ATOM 263 CA LEU A 19 5.338 -12.951 -6.676 1.00 0.00 C ATOM 264 C LEU A 19 4.293 -13.305 -7.730 1.00 0.00 C ATOM 265 O LEU A 19 3.103 -13.050 -7.549 1.00 0.00 O ATOM 266 CB LEU A 19 6.061 -11.662 -7.072 1.00 0.00 C ATOM 267 CG LEU A 19 6.809 -10.941 -5.950 1.00 0.00 C ATOM 268 CD1 LEU A 19 7.343 -9.604 -6.438 1.00 0.00 C ATOM 269 CD2 LEU A 19 5.902 -10.747 -4.743 1.00 0.00 C ATOM 0 H LEU A 19 7.216 -13.855 -6.912 1.00 0.00 H new ATOM 0 HA LEU A 19 4.830 -12.798 -5.724 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.772 -11.897 -7.864 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.329 -10.974 -7.495 1.00 0.00 H new ATOM 0 HG LEU A 19 7.655 -11.558 -5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.872 -9.105 -5.626 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.027 -9.767 -7.271 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.513 -8.979 -6.768 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.451 -10.232 -3.954 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.036 -10.151 -5.031 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.569 -11.719 -4.378 1.00 0.00 H new ATOM 281 N ALA A 20 4.747 -13.897 -8.830 1.00 0.00 N ATOM 282 CA ALA A 20 3.852 -14.290 -9.911 1.00 0.00 C ATOM 283 C ALA A 20 2.832 -15.318 -9.432 1.00 0.00 C ATOM 284 O ALA A 20 1.664 -15.275 -9.819 1.00 0.00 O ATOM 285 CB ALA A 20 4.649 -14.842 -11.083 1.00 0.00 C ATOM 0 H ALA A 20 5.730 -14.115 -8.996 1.00 0.00 H new ATOM 0 HA ALA A 20 3.310 -13.404 -10.240 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.967 -15.131 -11.883 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.334 -14.078 -11.449 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.218 -15.713 -10.758 1.00 0.00 H new ATOM 291 N VAL A 21 3.280 -16.241 -8.588 1.00 0.00 N ATOM 292 CA VAL A 21 2.406 -17.280 -8.056 1.00 0.00 C ATOM 293 C VAL A 21 1.395 -16.698 -7.075 1.00 0.00 C ATOM 294 O VAL A 21 0.231 -17.096 -7.059 1.00 0.00 O ATOM 295 CB VAL A 21 3.213 -18.385 -7.349 1.00 0.00 C ATOM 296 CG1 VAL A 21 2.292 -19.495 -6.868 1.00 0.00 C ATOM 297 CG2 VAL A 21 4.287 -18.936 -8.276 1.00 0.00 C ATOM 0 H VAL A 21 4.244 -16.291 -8.257 1.00 0.00 H new ATOM 0 HA VAL A 21 1.877 -17.714 -8.905 1.00 0.00 H new ATOM 0 HB VAL A 21 3.704 -17.951 -6.478 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.880 -20.266 -6.371 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.564 -19.086 -6.167 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.770 -19.930 -7.720 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.848 -19.716 -7.760 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.819 -19.355 -9.167 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.965 -18.133 -8.565 1.00 0.00 H new ATOM 307 N MET A 22 1.848 -15.752 -6.258 1.00 0.00 N ATOM 308 CA MET A 22 0.982 -15.114 -5.274 1.00 0.00 C ATOM 309 C MET A 22 -0.144 -14.345 -5.958 1.00 0.00 C ATOM 310 O MET A 22 -1.301 -14.427 -5.549 1.00 0.00 O ATOM 311 CB MET A 22 1.793 -14.169 -4.385 1.00 0.00 C ATOM 312 CG MET A 22 2.429 -14.858 -3.188 1.00 0.00 C ATOM 313 SD MET A 22 2.802 -13.713 -1.846 1.00 0.00 S ATOM 314 CE MET A 22 4.318 -12.970 -2.446 1.00 0.00 C ATOM 0 H MET A 22 2.809 -15.411 -6.258 1.00 0.00 H new ATOM 0 HA MET A 22 0.541 -15.895 -4.655 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.575 -13.702 -4.983 1.00 0.00 H new ATOM 0 HB3 MET A 22 1.143 -13.369 -4.031 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.758 -15.635 -2.822 1.00 0.00 H new ATOM 0 HG3 MET A 22 3.347 -15.353 -3.504 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.850 -12.507 -1.615 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.947 -13.738 -2.896 1.00 0.00 H new ATOM 0 HE3 MET A 22 4.081 -12.212 -3.193 1.00 0.00 H new ATOM 324 N GLU A 23 0.205 -13.598 -7.001 1.00 0.00 N ATOM 325 CA GLU A 23 -0.778 -12.814 -7.741 1.00 0.00 C ATOM 326 C GLU A 23 -1.858 -13.714 -8.334 1.00 0.00 C ATOM 327 O GLU A 23 -3.013 -13.311 -8.467 1.00 0.00 O ATOM 328 CB GLU A 23 -0.094 -12.018 -8.854 1.00 0.00 C ATOM 329 CG GLU A 23 0.485 -10.693 -8.388 1.00 0.00 C ATOM 330 CD GLU A 23 1.922 -10.817 -7.918 1.00 0.00 C ATOM 331 OE1 GLU A 23 2.834 -10.714 -8.763 1.00 0.00 O ATOM 332 OE2 GLU A 23 2.132 -11.017 -6.703 1.00 0.00 O ATOM 0 H GLU A 23 1.159 -13.519 -7.352 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.250 -12.120 -7.045 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.705 -12.623 -9.283 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.815 -11.830 -9.650 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.434 -9.972 -9.204 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.126 -10.299 -7.576 1.00 0.00 H new ATOM 339 N SER A 24 -1.472 -14.936 -8.689 1.00 0.00 N ATOM 340 CA SER A 24 -2.405 -15.893 -9.272 1.00 0.00 C ATOM 341 C SER A 24 -3.452 -16.323 -8.248 1.00 0.00 C ATOM 342 O SER A 24 -4.648 -16.344 -8.539 1.00 0.00 O ATOM 343 CB SER A 24 -1.653 -17.118 -9.795 1.00 0.00 C ATOM 344 OG SER A 24 -2.525 -17.996 -10.484 1.00 0.00 O ATOM 0 H SER A 24 -0.520 -15.286 -8.583 1.00 0.00 H new ATOM 0 HA SER A 24 -2.914 -15.406 -10.104 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.852 -16.799 -10.462 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.185 -17.644 -8.963 1.00 0.00 H new ATOM 0 HG SER A 24 -2.020 -18.770 -10.810 1.00 0.00 H new ATOM 350 N TYR A 25 -2.992 -16.666 -7.050 1.00 0.00 N ATOM 351 CA TYR A 25 -3.887 -17.099 -5.984 1.00 0.00 C ATOM 352 C TYR A 25 -4.774 -15.949 -5.516 1.00 0.00 C ATOM 353 O TYR A 25 -5.924 -16.154 -5.129 1.00 0.00 O ATOM 354 CB TYR A 25 -3.082 -17.649 -4.805 1.00 0.00 C ATOM 355 CG TYR A 25 -2.733 -19.114 -4.941 1.00 0.00 C ATOM 356 CD1 TYR A 25 -1.876 -19.554 -5.942 1.00 0.00 C ATOM 357 CD2 TYR A 25 -3.261 -20.057 -4.069 1.00 0.00 C ATOM 358 CE1 TYR A 25 -1.555 -20.892 -6.070 1.00 0.00 C ATOM 359 CE2 TYR A 25 -2.945 -21.397 -4.188 1.00 0.00 C ATOM 360 CZ TYR A 25 -2.091 -21.809 -5.190 1.00 0.00 C ATOM 361 OH TYR A 25 -1.775 -23.142 -5.314 1.00 0.00 O ATOM 0 H TYR A 25 -2.005 -16.653 -6.793 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.526 -17.889 -6.379 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.162 -17.073 -4.704 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.652 -17.504 -3.887 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.454 -18.838 -6.632 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.930 -19.737 -3.284 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.888 -21.218 -6.855 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.364 -22.117 -3.501 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.875 -23.231 -5.692 1.00 0.00 H new ATOM 371 N PHE A 26 -4.229 -14.737 -5.555 1.00 0.00 N ATOM 372 CA PHE A 26 -4.969 -13.553 -5.136 1.00 0.00 C ATOM 373 C PHE A 26 -6.129 -13.271 -6.086 1.00 0.00 C ATOM 374 O PHE A 26 -7.205 -12.852 -5.661 1.00 0.00 O ATOM 375 CB PHE A 26 -4.039 -12.340 -5.075 1.00 0.00 C ATOM 376 CG PHE A 26 -4.662 -11.138 -4.424 1.00 0.00 C ATOM 377 CD1 PHE A 26 -5.563 -10.346 -5.118 1.00 0.00 C ATOM 378 CD2 PHE A 26 -4.348 -10.800 -3.117 1.00 0.00 C ATOM 379 CE1 PHE A 26 -6.139 -9.240 -4.522 1.00 0.00 C ATOM 380 CE2 PHE A 26 -4.921 -9.696 -2.516 1.00 0.00 C ATOM 381 CZ PHE A 26 -5.816 -8.914 -3.219 1.00 0.00 C ATOM 0 H PHE A 26 -3.278 -14.550 -5.872 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.375 -13.742 -4.142 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.136 -12.612 -4.528 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.732 -12.077 -6.087 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.818 -10.596 -6.137 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.647 -11.407 -2.562 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.840 -8.632 -5.074 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.669 -9.445 -1.496 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.263 -8.049 -2.751 1.00 0.00 H new ATOM 391 N ASN A 27 -5.901 -13.505 -7.374 1.00 0.00 N ATOM 392 CA ASN A 27 -6.927 -13.276 -8.386 1.00 0.00 C ATOM 393 C ASN A 27 -8.125 -14.194 -8.163 1.00 0.00 C ATOM 394 O ASN A 27 -9.270 -13.797 -8.374 1.00 0.00 O ATOM 395 CB ASN A 27 -6.351 -13.500 -9.785 1.00 0.00 C ATOM 396 CG ASN A 27 -5.769 -12.232 -10.381 1.00 0.00 C ATOM 397 OD1 ASN A 27 -6.283 -11.704 -11.367 1.00 0.00 O ATOM 398 ND2 ASN A 27 -4.691 -11.738 -9.782 1.00 0.00 N ATOM 0 H ASN A 27 -5.016 -13.853 -7.742 1.00 0.00 H new ATOM 0 HA ASN A 27 -7.263 -12.243 -8.300 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.576 -14.265 -9.738 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.134 -13.880 -10.441 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.255 -10.887 -10.137 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.299 -12.210 -8.967 1.00 0.00 H new ATOM 405 N GLU A 28 -7.850 -15.423 -7.737 1.00 0.00 N ATOM 406 CA GLU A 28 -8.906 -16.398 -7.487 1.00 0.00 C ATOM 407 C GLU A 28 -9.529 -16.184 -6.111 1.00 0.00 C ATOM 408 O GLU A 28 -10.723 -16.406 -5.917 1.00 0.00 O ATOM 409 CB GLU A 28 -8.353 -17.820 -7.593 1.00 0.00 C ATOM 410 CG GLU A 28 -7.484 -18.225 -6.414 1.00 0.00 C ATOM 411 CD GLU A 28 -7.345 -19.729 -6.280 1.00 0.00 C ATOM 412 OE1 GLU A 28 -8.358 -20.436 -6.466 1.00 0.00 O ATOM 413 OE2 GLU A 28 -6.225 -20.198 -5.990 1.00 0.00 O ATOM 0 H GLU A 28 -6.907 -15.767 -7.558 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.679 -16.260 -8.242 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.185 -18.519 -7.677 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.770 -17.907 -8.510 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.495 -17.781 -6.527 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.912 -17.820 -5.497 1.00 0.00 H new ATOM 420 N ASN A 29 -8.710 -15.750 -5.158 1.00 0.00 N ATOM 421 CA ASN A 29 -9.180 -15.507 -3.799 1.00 0.00 C ATOM 422 C ASN A 29 -8.291 -14.489 -3.090 1.00 0.00 C ATOM 423 O ASN A 29 -7.075 -14.662 -3.011 1.00 0.00 O ATOM 424 CB ASN A 29 -9.209 -16.815 -3.005 1.00 0.00 C ATOM 425 CG ASN A 29 -10.119 -16.736 -1.794 1.00 0.00 C ATOM 426 OD1 ASN A 29 -10.785 -15.725 -1.569 1.00 0.00 O ATOM 427 ND2 ASN A 29 -10.150 -17.805 -1.007 1.00 0.00 N ATOM 0 H ASN A 29 -7.718 -15.560 -5.302 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.191 -15.103 -3.858 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -9.543 -17.624 -3.655 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -8.198 -17.063 -2.681 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -10.743 -17.810 -0.177 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -9.581 -18.621 -1.232 1.00 0.00 H new ATOM 434 N GLN A 30 -8.907 -13.430 -2.576 1.00 0.00 N ATOM 435 CA GLN A 30 -8.172 -12.385 -1.874 1.00 0.00 C ATOM 436 C GLN A 30 -7.601 -12.909 -0.561 1.00 0.00 C ATOM 437 O GLN A 30 -6.467 -12.597 -0.197 1.00 0.00 O ATOM 438 CB GLN A 30 -9.081 -11.184 -1.606 1.00 0.00 C ATOM 439 CG GLN A 30 -9.845 -10.713 -2.832 1.00 0.00 C ATOM 440 CD GLN A 30 -9.014 -9.817 -3.729 1.00 0.00 C ATOM 441 OE1 GLN A 30 -8.714 -10.168 -4.870 1.00 0.00 O ATOM 442 NE2 GLN A 30 -8.638 -8.651 -3.216 1.00 0.00 N ATOM 0 H GLN A 30 -9.913 -13.273 -2.632 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.344 -12.070 -2.509 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.793 -11.445 -0.823 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -8.477 -10.360 -1.226 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.181 -11.580 -3.401 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.738 -10.175 -2.514 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.909 -8.401 -2.265 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -8.078 -8.006 -3.773 1.00 0.00 H new ATOM 451 N TYR A 31 -8.393 -13.706 0.146 1.00 0.00 N ATOM 452 CA TYR A 31 -7.968 -14.272 1.421 1.00 0.00 C ATOM 453 C TYR A 31 -7.832 -15.789 1.326 1.00 0.00 C ATOM 454 O TYR A 31 -8.792 -16.537 1.513 1.00 0.00 O ATOM 455 CB TYR A 31 -8.963 -13.906 2.523 1.00 0.00 C ATOM 456 CG TYR A 31 -9.469 -12.484 2.434 1.00 0.00 C ATOM 457 CD1 TYR A 31 -10.425 -12.123 1.493 1.00 0.00 C ATOM 458 CD2 TYR A 31 -8.991 -11.501 3.293 1.00 0.00 C ATOM 459 CE1 TYR A 31 -10.889 -10.825 1.408 1.00 0.00 C ATOM 460 CE2 TYR A 31 -9.450 -10.200 3.216 1.00 0.00 C ATOM 461 CZ TYR A 31 -10.399 -9.867 2.272 1.00 0.00 C ATOM 462 OH TYR A 31 -10.860 -8.573 2.191 1.00 0.00 O ATOM 0 H TYR A 31 -9.334 -13.975 -0.142 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.993 -13.853 1.668 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.812 -14.588 2.476 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.489 -14.054 3.493 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.812 -12.870 0.816 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.248 -11.759 4.033 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.631 -10.561 0.669 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -9.068 -9.448 3.891 1.00 0.00 H new ATOM 0 HH TYR A 31 -10.415 -8.024 2.870 1.00 0.00 H new ATOM 472 N PRO A 32 -6.610 -16.255 1.029 1.00 0.00 N ATOM 473 CA PRO A 32 -6.318 -17.686 0.903 1.00 0.00 C ATOM 474 C PRO A 32 -6.375 -18.409 2.244 1.00 0.00 C ATOM 475 O PRO A 32 -5.639 -18.074 3.173 1.00 0.00 O ATOM 476 CB PRO A 32 -4.893 -17.709 0.343 1.00 0.00 C ATOM 477 CG PRO A 32 -4.293 -16.417 0.780 1.00 0.00 C ATOM 478 CD PRO A 32 -5.419 -15.421 0.793 1.00 0.00 C ATOM 0 HA PRO A 32 -7.046 -18.197 0.273 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.329 -18.558 0.730 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.896 -17.797 -0.743 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.843 -16.510 1.768 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.502 -16.103 0.098 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.288 -14.677 1.578 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.488 -14.880 -0.151 1.00 0.00 H new ATOM 486 N ASP A 33 -7.252 -19.402 2.338 1.00 0.00 N ATOM 487 CA ASP A 33 -7.404 -20.174 3.566 1.00 0.00 C ATOM 488 C ASP A 33 -6.052 -20.682 4.059 1.00 0.00 C ATOM 489 O ASP A 33 -5.031 -20.497 3.399 1.00 0.00 O ATOM 490 CB ASP A 33 -8.353 -21.352 3.339 1.00 0.00 C ATOM 491 CG ASP A 33 -9.628 -20.939 2.632 1.00 0.00 C ATOM 492 OD1 ASP A 33 -10.451 -20.234 3.253 1.00 0.00 O ATOM 493 OD2 ASP A 33 -9.804 -21.321 1.456 1.00 0.00 O ATOM 0 H ASP A 33 -7.869 -19.692 1.579 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.826 -19.519 4.328 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.845 -22.116 2.750 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.603 -21.804 4.299 1.00 0.00 H new ATOM 498 N GLU A 34 -6.055 -21.322 5.225 1.00 0.00 N ATOM 499 CA GLU A 34 -4.829 -21.854 5.807 1.00 0.00 C ATOM 500 C GLU A 34 -4.129 -22.797 4.832 1.00 0.00 C ATOM 501 O GLU A 34 -2.941 -22.647 4.551 1.00 0.00 O ATOM 502 CB GLU A 34 -5.135 -22.588 7.114 1.00 0.00 C ATOM 503 CG GLU A 34 -6.534 -23.176 7.168 1.00 0.00 C ATOM 504 CD GLU A 34 -6.673 -24.255 8.225 1.00 0.00 C ATOM 505 OE1 GLU A 34 -6.498 -23.940 9.421 1.00 0.00 O ATOM 506 OE2 GLU A 34 -6.957 -25.413 7.856 1.00 0.00 O ATOM 0 H GLU A 34 -6.893 -21.484 5.784 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.163 -21.017 6.017 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.408 -23.389 7.250 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.008 -21.897 7.947 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.251 -22.380 7.370 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.787 -23.593 6.193 1.00 0.00 H new ATOM 513 N ALA A 35 -4.876 -23.771 4.321 1.00 0.00 N ATOM 514 CA ALA A 35 -4.329 -24.738 3.378 1.00 0.00 C ATOM 515 C ALA A 35 -3.943 -24.066 2.065 1.00 0.00 C ATOM 516 O ALA A 35 -2.951 -24.434 1.435 1.00 0.00 O ATOM 517 CB ALA A 35 -5.331 -25.855 3.127 1.00 0.00 C ATOM 0 H ALA A 35 -5.861 -23.911 4.545 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.427 -25.166 3.816 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.909 -26.570 2.421 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.554 -26.361 4.066 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.248 -25.435 2.714 1.00 0.00 H new ATOM 523 N LYS A 36 -4.733 -23.079 1.656 1.00 0.00 N ATOM 524 CA LYS A 36 -4.474 -22.354 0.417 1.00 0.00 C ATOM 525 C LYS A 36 -3.133 -21.629 0.481 1.00 0.00 C ATOM 526 O LYS A 36 -2.378 -21.615 -0.491 1.00 0.00 O ATOM 527 CB LYS A 36 -5.596 -21.350 0.146 1.00 0.00 C ATOM 528 CG LYS A 36 -5.473 -20.648 -1.196 1.00 0.00 C ATOM 529 CD LYS A 36 -5.787 -21.588 -2.348 1.00 0.00 C ATOM 530 CE LYS A 36 -7.284 -21.681 -2.600 1.00 0.00 C ATOM 531 NZ LYS A 36 -7.591 -22.437 -3.846 1.00 0.00 N ATOM 0 H LYS A 36 -5.559 -22.762 2.165 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.437 -23.078 -0.397 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.554 -21.868 0.189 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.602 -20.602 0.939 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.152 -19.796 -1.225 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.463 -20.255 -1.311 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.286 -21.239 -3.251 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.392 -22.580 -2.128 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.765 -22.168 -1.752 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.703 -20.677 -2.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.621 -22.478 -3.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.153 -21.959 -4.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.213 -23.403 -3.768 1.00 0.00 H new ATOM 545 N ARG A 37 -2.844 -21.030 1.631 1.00 0.00 N ATOM 546 CA ARG A 37 -1.594 -20.304 1.821 1.00 0.00 C ATOM 547 C ARG A 37 -0.395 -21.234 1.660 1.00 0.00 C ATOM 548 O ARG A 37 0.617 -20.860 1.068 1.00 0.00 O ATOM 549 CB ARG A 37 -1.564 -19.651 3.204 1.00 0.00 C ATOM 550 CG ARG A 37 -2.318 -18.333 3.271 1.00 0.00 C ATOM 551 CD ARG A 37 -1.990 -17.567 4.544 1.00 0.00 C ATOM 552 NE ARG A 37 -2.851 -17.959 5.656 1.00 0.00 N ATOM 553 CZ ARG A 37 -2.510 -17.824 6.933 1.00 0.00 C ATOM 554 NH1 ARG A 37 -1.332 -17.308 7.256 1.00 0.00 N ATOM 555 NH2 ARG A 37 -3.348 -18.204 7.889 1.00 0.00 N ATOM 0 H ARG A 37 -3.458 -21.033 2.445 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.535 -19.527 1.058 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.990 -20.341 3.932 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.527 -19.482 3.494 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.065 -17.724 2.403 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.390 -18.523 3.226 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.948 -17.741 4.813 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.098 -16.498 4.362 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.764 -18.358 5.441 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.686 -17.014 6.524 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.072 -17.205 8.237 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.255 -18.600 7.644 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.085 -18.100 8.869 1.00 0.00 H new ATOM 569 N GLU A 38 -0.517 -22.446 2.192 1.00 0.00 N ATOM 570 CA GLU A 38 0.557 -23.428 2.108 1.00 0.00 C ATOM 571 C GLU A 38 0.743 -23.910 0.672 1.00 0.00 C ATOM 572 O GLU A 38 1.868 -24.105 0.213 1.00 0.00 O ATOM 573 CB GLU A 38 0.263 -24.619 3.023 1.00 0.00 C ATOM 574 CG GLU A 38 0.722 -24.413 4.456 1.00 0.00 C ATOM 575 CD GLU A 38 0.118 -25.422 5.413 1.00 0.00 C ATOM 576 OE1 GLU A 38 -1.126 -25.510 5.476 1.00 0.00 O ATOM 577 OE2 GLU A 38 0.890 -26.124 6.099 1.00 0.00 O ATOM 0 H GLU A 38 -1.348 -22.771 2.685 1.00 0.00 H new ATOM 0 HA GLU A 38 1.479 -22.948 2.434 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.809 -24.814 3.018 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.750 -25.506 2.618 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.809 -24.483 4.499 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.454 -23.407 4.778 1.00 0.00 H new ATOM 584 N GLU A 39 -0.369 -24.100 -0.031 1.00 0.00 N ATOM 585 CA GLU A 39 -0.329 -24.561 -1.414 1.00 0.00 C ATOM 586 C GLU A 39 0.398 -23.555 -2.301 1.00 0.00 C ATOM 587 O GLU A 39 1.250 -23.925 -3.109 1.00 0.00 O ATOM 588 CB GLU A 39 -1.748 -24.790 -1.940 1.00 0.00 C ATOM 589 CG GLU A 39 -1.811 -25.739 -3.125 1.00 0.00 C ATOM 590 CD GLU A 39 -1.485 -27.170 -2.745 1.00 0.00 C ATOM 591 OE1 GLU A 39 -1.776 -27.560 -1.595 1.00 0.00 O ATOM 592 OE2 GLU A 39 -0.938 -27.900 -3.598 1.00 0.00 O ATOM 0 H GLU A 39 -1.308 -23.942 0.334 1.00 0.00 H new ATOM 0 HA GLU A 39 0.217 -25.504 -1.441 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.366 -25.187 -1.134 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.178 -23.831 -2.229 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.809 -25.702 -3.563 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.113 -25.403 -3.892 1.00 0.00 H new ATOM 599 N ILE A 40 0.054 -22.281 -2.146 1.00 0.00 N ATOM 600 CA ILE A 40 0.673 -21.221 -2.932 1.00 0.00 C ATOM 601 C ILE A 40 2.113 -20.980 -2.492 1.00 0.00 C ATOM 602 O ILE A 40 2.968 -20.620 -3.300 1.00 0.00 O ATOM 603 CB ILE A 40 -0.114 -19.902 -2.818 1.00 0.00 C ATOM 604 CG1 ILE A 40 0.295 -18.941 -3.936 1.00 0.00 C ATOM 605 CG2 ILE A 40 0.114 -19.265 -1.455 1.00 0.00 C ATOM 606 CD1 ILE A 40 1.707 -18.419 -3.798 1.00 0.00 C ATOM 0 H ILE A 40 -0.650 -21.958 -1.483 1.00 0.00 H new ATOM 0 HA ILE A 40 0.663 -21.552 -3.971 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.177 -20.120 -2.922 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.197 -19.449 -4.895 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.396 -18.098 -3.950 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.449 -18.334 -1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.222 -19.947 -0.674 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.176 -19.057 -1.324 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.928 -17.744 -4.625 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.806 -17.882 -2.855 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.407 -19.254 -3.815 1.00 0.00 H new ATOM 618 N ALA A 41 2.375 -21.184 -1.205 1.00 0.00 N ATOM 619 CA ALA A 41 3.712 -20.993 -0.657 1.00 0.00 C ATOM 620 C ALA A 41 4.674 -22.056 -1.176 1.00 0.00 C ATOM 621 O ALA A 41 5.808 -21.753 -1.545 1.00 0.00 O ATOM 622 CB ALA A 41 3.668 -21.014 0.863 1.00 0.00 C ATOM 0 H ALA A 41 1.678 -21.482 -0.522 1.00 0.00 H new ATOM 0 HA ALA A 41 4.077 -20.019 -0.984 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.674 -20.870 1.258 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.020 -20.213 1.219 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.279 -21.974 1.202 1.00 0.00 H new ATOM 628 N ASN A 42 4.214 -23.302 -1.201 1.00 0.00 N ATOM 629 CA ASN A 42 5.036 -24.411 -1.674 1.00 0.00 C ATOM 630 C ASN A 42 5.456 -24.196 -3.125 1.00 0.00 C ATOM 631 O ASN A 42 6.594 -24.480 -3.500 1.00 0.00 O ATOM 632 CB ASN A 42 4.273 -25.730 -1.542 1.00 0.00 C ATOM 633 CG ASN A 42 4.440 -26.361 -0.173 1.00 0.00 C ATOM 634 OD1 ASN A 42 5.485 -26.933 0.136 1.00 0.00 O ATOM 635 ND2 ASN A 42 3.406 -26.259 0.655 1.00 0.00 N ATOM 0 H ASN A 42 3.277 -23.570 -0.900 1.00 0.00 H new ATOM 0 HA ASN A 42 5.934 -24.455 -1.057 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.214 -25.554 -1.731 1.00 0.00 H new ATOM 0 HB3 ASN A 42 4.622 -26.426 -2.305 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.459 -26.664 1.590 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.559 -25.776 0.356 1.00 0.00 H new ATOM 642 N ALA A 43 4.531 -23.693 -3.935 1.00 0.00 N ATOM 643 CA ALA A 43 4.807 -23.437 -5.343 1.00 0.00 C ATOM 644 C ALA A 43 5.905 -22.393 -5.507 1.00 0.00 C ATOM 645 O ALA A 43 6.740 -22.492 -6.407 1.00 0.00 O ATOM 646 CB ALA A 43 3.539 -22.990 -6.056 1.00 0.00 C ATOM 0 H ALA A 43 3.584 -23.455 -3.640 1.00 0.00 H new ATOM 0 HA ALA A 43 5.156 -24.366 -5.794 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.759 -22.802 -7.107 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.783 -23.771 -5.978 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.165 -22.076 -5.595 1.00 0.00 H new ATOM 652 N CYS A 44 5.899 -21.392 -4.634 1.00 0.00 N ATOM 653 CA CYS A 44 6.894 -20.328 -4.683 1.00 0.00 C ATOM 654 C CYS A 44 8.293 -20.879 -4.426 1.00 0.00 C ATOM 655 O CYS A 44 9.256 -20.487 -5.084 1.00 0.00 O ATOM 656 CB CYS A 44 6.564 -19.243 -3.657 1.00 0.00 C ATOM 657 SG CYS A 44 5.013 -18.371 -3.978 1.00 0.00 S ATOM 0 H CYS A 44 5.215 -21.295 -3.883 1.00 0.00 H new ATOM 0 HA CYS A 44 6.873 -19.891 -5.682 1.00 0.00 H new ATOM 0 HB2 CYS A 44 6.515 -19.697 -2.667 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.378 -18.518 -3.636 1.00 0.00 H new ATOM 0 HG CYS A 44 4.820 -17.475 -3.056 1.00 0.00 H new ATOM 663 N ASN A 45 8.396 -21.789 -3.463 1.00 0.00 N ATOM 664 CA ASN A 45 9.678 -22.393 -3.117 1.00 0.00 C ATOM 665 C ASN A 45 10.183 -23.283 -4.248 1.00 0.00 C ATOM 666 O ASN A 45 11.387 -23.382 -4.483 1.00 0.00 O ATOM 667 CB ASN A 45 9.549 -23.209 -1.829 1.00 0.00 C ATOM 668 CG ASN A 45 9.609 -22.342 -0.586 1.00 0.00 C ATOM 669 OD1 ASN A 45 10.445 -21.444 -0.482 1.00 0.00 O ATOM 670 ND2 ASN A 45 8.719 -22.607 0.363 1.00 0.00 N ATOM 0 H ASN A 45 7.608 -22.124 -2.909 1.00 0.00 H new ATOM 0 HA ASN A 45 10.399 -21.591 -2.961 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.606 -23.756 -1.842 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.347 -23.950 -1.790 1.00 0.00 H new ATOM 0 HD21 ASN A 45 8.710 -22.056 1.222 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.045 -23.361 0.233 1.00 0.00 H new ATOM 677 N ALA A 46 9.254 -23.929 -4.945 1.00 0.00 N ATOM 678 CA ALA A 46 9.605 -24.809 -6.053 1.00 0.00 C ATOM 679 C ALA A 46 10.147 -24.014 -7.235 1.00 0.00 C ATOM 680 O ALA A 46 11.187 -24.353 -7.800 1.00 0.00 O ATOM 681 CB ALA A 46 8.397 -25.631 -6.477 1.00 0.00 C ATOM 0 H ALA A 46 8.253 -23.860 -4.762 1.00 0.00 H new ATOM 0 HA ALA A 46 10.390 -25.485 -5.713 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.673 -26.284 -7.305 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.055 -26.236 -5.637 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.595 -24.963 -6.793 1.00 0.00 H new ATOM 687 N VAL A 47 9.435 -22.954 -7.606 1.00 0.00 N ATOM 688 CA VAL A 47 9.846 -22.109 -8.721 1.00 0.00 C ATOM 689 C VAL A 47 11.239 -21.536 -8.493 1.00 0.00 C ATOM 690 O VAL A 47 12.006 -21.345 -9.438 1.00 0.00 O ATOM 691 CB VAL A 47 8.855 -20.950 -8.942 1.00 0.00 C ATOM 692 CG1 VAL A 47 7.535 -21.472 -9.488 1.00 0.00 C ATOM 693 CG2 VAL A 47 8.639 -20.181 -7.647 1.00 0.00 C ATOM 0 H VAL A 47 8.571 -22.660 -7.151 1.00 0.00 H new ATOM 0 HA VAL A 47 9.858 -22.741 -9.609 1.00 0.00 H new ATOM 0 HB VAL A 47 9.280 -20.267 -9.678 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.848 -20.639 -9.638 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.708 -21.975 -10.439 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.101 -22.177 -8.779 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.936 -19.366 -7.821 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.236 -20.852 -6.888 1.00 0.00 H new ATOM 0 HG23 VAL A 47 9.590 -19.774 -7.303 1.00 0.00 H new ATOM 703 N ILE A 48 11.562 -21.264 -7.233 1.00 0.00 N ATOM 704 CA ILE A 48 12.865 -20.713 -6.880 1.00 0.00 C ATOM 705 C ILE A 48 13.855 -21.821 -6.538 1.00 0.00 C ATOM 706 O ILE A 48 15.066 -21.645 -6.667 1.00 0.00 O ATOM 707 CB ILE A 48 12.763 -19.745 -5.687 1.00 0.00 C ATOM 708 CG1 ILE A 48 12.369 -20.505 -4.418 1.00 0.00 C ATOM 709 CG2 ILE A 48 11.757 -18.643 -5.984 1.00 0.00 C ATOM 710 CD1 ILE A 48 12.308 -19.631 -3.185 1.00 0.00 C ATOM 0 H ILE A 48 10.939 -21.416 -6.440 1.00 0.00 H new ATOM 0 HA ILE A 48 13.223 -20.165 -7.752 1.00 0.00 H new ATOM 0 HB ILE A 48 13.738 -19.286 -5.526 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.396 -20.972 -4.571 1.00 0.00 H new ATOM 0 HG13 ILE A 48 13.085 -21.309 -4.249 1.00 0.00 H new ATOM 0 HG21 ILE A 48 11.696 -17.967 -5.131 1.00 0.00 H new ATOM 0 HG22 ILE A 48 12.076 -18.087 -6.866 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.777 -19.084 -6.168 1.00 0.00 H new ATOM 0 HD11 ILE A 48 12.023 -20.236 -2.324 1.00 0.00 H new ATOM 0 HD12 ILE A 48 13.286 -19.184 -3.007 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.571 -18.842 -3.334 1.00 0.00 H new ATOM 722 N GLN A 49 13.331 -22.963 -6.104 1.00 0.00 N ATOM 723 CA GLN A 49 14.170 -24.100 -5.745 1.00 0.00 C ATOM 724 C GLN A 49 14.977 -24.582 -6.946 1.00 0.00 C ATOM 725 O GLN A 49 14.417 -24.902 -7.995 1.00 0.00 O ATOM 726 CB GLN A 49 13.311 -25.243 -5.200 1.00 0.00 C ATOM 727 CG GLN A 49 14.073 -26.546 -5.022 1.00 0.00 C ATOM 728 CD GLN A 49 15.206 -26.427 -4.022 1.00 0.00 C ATOM 729 OE1 GLN A 49 16.142 -25.652 -4.215 1.00 0.00 O ATOM 730 NE2 GLN A 49 15.126 -27.198 -2.943 1.00 0.00 N ATOM 0 H GLN A 49 12.330 -23.125 -5.993 1.00 0.00 H new ATOM 0 HA GLN A 49 14.865 -23.776 -4.970 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.890 -24.944 -4.240 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.473 -25.411 -5.877 1.00 0.00 H new ATOM 0 HG2 GLN A 49 13.384 -27.324 -4.693 1.00 0.00 H new ATOM 0 HG3 GLN A 49 14.475 -26.862 -5.985 1.00 0.00 H new ATOM 0 HE21 GLN A 49 14.332 -27.827 -2.823 1.00 0.00 H new ATOM 0 HE22 GLN A 49 15.859 -27.161 -2.235 1.00 0.00 H new ATOM 739 N LYS A 50 16.295 -24.632 -6.786 1.00 0.00 N ATOM 740 CA LYS A 50 17.180 -25.076 -7.856 1.00 0.00 C ATOM 741 C LYS A 50 17.675 -26.495 -7.598 1.00 0.00 C ATOM 742 O LYS A 50 17.797 -26.939 -6.456 1.00 0.00 O ATOM 743 CB LYS A 50 18.371 -24.125 -7.988 1.00 0.00 C ATOM 744 CG LYS A 50 17.974 -22.661 -8.077 1.00 0.00 C ATOM 745 CD LYS A 50 19.193 -21.755 -8.125 1.00 0.00 C ATOM 746 CE LYS A 50 19.867 -21.798 -9.488 1.00 0.00 C ATOM 747 NZ LYS A 50 19.256 -20.830 -10.440 1.00 0.00 N ATOM 0 H LYS A 50 16.774 -24.370 -5.924 1.00 0.00 H new ATOM 0 HA LYS A 50 16.614 -25.071 -8.788 1.00 0.00 H new ATOM 0 HB2 LYS A 50 19.031 -24.262 -7.132 1.00 0.00 H new ATOM 0 HB3 LYS A 50 18.942 -24.393 -8.877 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.366 -22.501 -8.967 1.00 0.00 H new ATOM 0 HG3 LYS A 50 17.357 -22.397 -7.218 1.00 0.00 H new ATOM 0 HD2 LYS A 50 18.896 -20.731 -7.897 1.00 0.00 H new ATOM 0 HD3 LYS A 50 19.904 -22.059 -7.357 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.928 -21.576 -9.375 1.00 0.00 H new ATOM 0 HE3 LYS A 50 19.794 -22.805 -9.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 19.743 -20.890 -11.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 18.249 -21.057 -10.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.348 -19.866 -10.062 1.00 0.00 H new ATOM 761 N PRO A 51 17.970 -27.226 -8.684 1.00 0.00 N ATOM 762 CA PRO A 51 18.459 -28.606 -8.601 1.00 0.00 C ATOM 763 C PRO A 51 19.875 -28.686 -8.042 1.00 0.00 C ATOM 764 O PRO A 51 20.780 -28.000 -8.516 1.00 0.00 O ATOM 765 CB PRO A 51 18.430 -29.081 -10.056 1.00 0.00 C ATOM 766 CG PRO A 51 18.550 -27.834 -10.863 1.00 0.00 C ATOM 767 CD PRO A 51 17.849 -26.762 -10.076 1.00 0.00 C ATOM 0 HA PRO A 51 17.853 -29.213 -7.928 1.00 0.00 H new ATOM 0 HB2 PRO A 51 19.250 -29.768 -10.265 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.505 -29.611 -10.281 1.00 0.00 H new ATOM 0 HG2 PRO A 51 19.596 -27.576 -11.029 1.00 0.00 H new ATOM 0 HG3 PRO A 51 18.093 -27.959 -11.845 1.00 0.00 H new ATOM 0 HD2 PRO A 51 18.318 -25.788 -10.217 1.00 0.00 H new ATOM 0 HD3 PRO A 51 16.806 -26.660 -10.376 1.00 0.00 H new ATOM 775 N GLY A 52 20.061 -29.529 -7.031 1.00 0.00 N ATOM 776 CA GLY A 52 21.371 -29.683 -6.424 1.00 0.00 C ATOM 777 C GLY A 52 21.721 -28.534 -5.500 1.00 0.00 C ATOM 778 O GLY A 52 22.876 -28.374 -5.105 1.00 0.00 O ATOM 0 H GLY A 52 19.328 -30.108 -6.621 1.00 0.00 H new ATOM 0 HA2 GLY A 52 21.401 -30.618 -5.864 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.125 -29.757 -7.208 1.00 0.00 H new ATOM 782 N LYS A 53 20.721 -27.729 -5.155 1.00 0.00 N ATOM 783 CA LYS A 53 20.928 -26.587 -4.272 1.00 0.00 C ATOM 784 C LYS A 53 20.008 -26.665 -3.058 1.00 0.00 C ATOM 785 O LYS A 53 18.958 -27.307 -3.101 1.00 0.00 O ATOM 786 CB LYS A 53 20.682 -25.280 -5.029 1.00 0.00 C ATOM 787 CG LYS A 53 21.927 -24.720 -5.695 1.00 0.00 C ATOM 788 CD LYS A 53 22.680 -23.779 -4.769 1.00 0.00 C ATOM 789 CE LYS A 53 23.542 -24.546 -3.778 1.00 0.00 C ATOM 790 NZ LYS A 53 24.420 -25.538 -4.457 1.00 0.00 N ATOM 0 H LYS A 53 19.759 -27.847 -5.474 1.00 0.00 H new ATOM 0 HA LYS A 53 21.961 -26.610 -3.925 1.00 0.00 H new ATOM 0 HB2 LYS A 53 19.918 -25.448 -5.788 1.00 0.00 H new ATOM 0 HB3 LYS A 53 20.285 -24.538 -4.336 1.00 0.00 H new ATOM 0 HG2 LYS A 53 22.581 -25.539 -5.993 1.00 0.00 H new ATOM 0 HG3 LYS A 53 21.647 -24.189 -6.605 1.00 0.00 H new ATOM 0 HD2 LYS A 53 23.308 -23.111 -5.359 1.00 0.00 H new ATOM 0 HD3 LYS A 53 21.970 -23.154 -4.228 1.00 0.00 H new ATOM 0 HE2 LYS A 53 24.156 -23.845 -3.212 1.00 0.00 H new ATOM 0 HE3 LYS A 53 22.901 -25.059 -3.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 25.253 -25.727 -3.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 23.894 -26.422 -4.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 24.727 -25.158 -5.375 1.00 0.00 H new ATOM 804 N LYS A 54 20.407 -26.006 -1.975 1.00 0.00 N ATOM 805 CA LYS A 54 19.618 -25.997 -0.750 1.00 0.00 C ATOM 806 C LYS A 54 18.933 -24.648 -0.553 1.00 0.00 C ATOM 807 O LYS A 54 19.564 -23.597 -0.672 1.00 0.00 O ATOM 808 CB LYS A 54 20.507 -26.310 0.456 1.00 0.00 C ATOM 809 CG LYS A 54 19.736 -26.470 1.755 1.00 0.00 C ATOM 810 CD LYS A 54 20.654 -26.385 2.963 1.00 0.00 C ATOM 811 CE LYS A 54 20.915 -24.942 3.364 1.00 0.00 C ATOM 812 NZ LYS A 54 19.765 -24.356 4.106 1.00 0.00 N ATOM 0 H LYS A 54 21.274 -25.471 -1.922 1.00 0.00 H new ATOM 0 HA LYS A 54 18.850 -26.765 -0.837 1.00 0.00 H new ATOM 0 HB2 LYS A 54 21.064 -27.226 0.258 1.00 0.00 H new ATOM 0 HB3 LYS A 54 21.239 -25.511 0.574 1.00 0.00 H new ATOM 0 HG2 LYS A 54 18.971 -25.696 1.823 1.00 0.00 H new ATOM 0 HG3 LYS A 54 19.219 -27.430 1.757 1.00 0.00 H new ATOM 0 HD2 LYS A 54 20.206 -26.921 3.800 1.00 0.00 H new ATOM 0 HD3 LYS A 54 21.600 -26.878 2.738 1.00 0.00 H new ATOM 0 HE2 LYS A 54 21.810 -24.894 3.984 1.00 0.00 H new ATOM 0 HE3 LYS A 54 21.113 -24.347 2.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 20.086 -23.527 4.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 19.028 -24.066 3.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 19.376 -25.065 4.760 1.00 0.00 H new ATOM 826 N LEU A 55 17.640 -24.685 -0.250 1.00 0.00 N ATOM 827 CA LEU A 55 16.870 -23.465 -0.035 1.00 0.00 C ATOM 828 C LEU A 55 17.235 -22.818 1.298 1.00 0.00 C ATOM 829 O LEU A 55 17.519 -23.508 2.276 1.00 0.00 O ATOM 830 CB LEU A 55 15.371 -23.771 -0.073 1.00 0.00 C ATOM 831 CG LEU A 55 14.720 -23.764 -1.456 1.00 0.00 C ATOM 832 CD1 LEU A 55 13.270 -24.217 -1.365 1.00 0.00 C ATOM 833 CD2 LEU A 55 14.810 -22.379 -2.080 1.00 0.00 C ATOM 0 H LEU A 55 17.103 -25.546 -0.148 1.00 0.00 H new ATOM 0 HA LEU A 55 17.112 -22.766 -0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.209 -24.750 0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 55 14.856 -23.042 0.553 1.00 0.00 H new ATOM 0 HG LEU A 55 15.259 -24.464 -2.095 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.822 -24.206 -2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.229 -25.228 -0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.718 -23.542 -0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.342 -22.392 -3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 55 14.296 -21.659 -1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 55 15.857 -22.092 -2.180 1.00 0.00 H new ATOM 845 N SER A 56 17.222 -21.490 1.328 1.00 0.00 N ATOM 846 CA SER A 56 17.553 -20.749 2.540 1.00 0.00 C ATOM 847 C SER A 56 16.296 -20.177 3.187 1.00 0.00 C ATOM 848 O SER A 56 15.284 -19.960 2.520 1.00 0.00 O ATOM 849 CB SER A 56 18.535 -19.621 2.221 1.00 0.00 C ATOM 850 OG SER A 56 19.351 -19.953 1.111 1.00 0.00 O ATOM 0 H SER A 56 16.986 -20.904 0.527 1.00 0.00 H new ATOM 0 HA SER A 56 18.020 -21.439 3.242 1.00 0.00 H new ATOM 0 HB2 SER A 56 17.984 -18.704 2.010 1.00 0.00 H new ATOM 0 HB3 SER A 56 19.162 -19.424 3.091 1.00 0.00 H new ATOM 0 HG SER A 56 19.969 -19.215 0.927 1.00 0.00 H new ATOM 856 N ASP A 57 16.368 -19.935 4.492 1.00 0.00 N ATOM 857 CA ASP A 57 15.237 -19.387 5.231 1.00 0.00 C ATOM 858 C ASP A 57 14.831 -18.027 4.674 1.00 0.00 C ATOM 859 O ASP A 57 13.674 -17.619 4.783 1.00 0.00 O ATOM 860 CB ASP A 57 15.583 -19.261 6.716 1.00 0.00 C ATOM 861 CG ASP A 57 15.346 -20.551 7.477 1.00 0.00 C ATOM 862 OD1 ASP A 57 14.176 -20.973 7.579 1.00 0.00 O ATOM 863 OD2 ASP A 57 16.332 -21.138 7.971 1.00 0.00 O ATOM 0 H ASP A 57 17.198 -20.110 5.059 1.00 0.00 H new ATOM 0 HA ASP A 57 14.396 -20.071 5.118 1.00 0.00 H new ATOM 0 HB2 ASP A 57 16.628 -18.968 6.819 1.00 0.00 H new ATOM 0 HB3 ASP A 57 14.984 -18.466 7.159 1.00 0.00 H new ATOM 868 N LEU A 58 15.790 -17.327 4.077 1.00 0.00 N ATOM 869 CA LEU A 58 15.534 -16.011 3.503 1.00 0.00 C ATOM 870 C LEU A 58 14.663 -16.122 2.256 1.00 0.00 C ATOM 871 O LEU A 58 13.885 -15.219 1.949 1.00 0.00 O ATOM 872 CB LEU A 58 16.853 -15.317 3.159 1.00 0.00 C ATOM 873 CG LEU A 58 17.644 -14.755 4.340 1.00 0.00 C ATOM 874 CD1 LEU A 58 18.362 -15.872 5.082 1.00 0.00 C ATOM 875 CD2 LEU A 58 18.637 -13.704 3.866 1.00 0.00 C ATOM 0 H LEU A 58 16.753 -17.650 3.978 1.00 0.00 H new ATOM 0 HA LEU A 58 15.001 -15.415 4.244 1.00 0.00 H new ATOM 0 HB2 LEU A 58 17.487 -16.028 2.629 1.00 0.00 H new ATOM 0 HB3 LEU A 58 16.642 -14.501 2.468 1.00 0.00 H new ATOM 0 HG LEU A 58 16.944 -14.281 5.028 1.00 0.00 H new ATOM 0 HD11 LEU A 58 18.920 -15.453 5.919 1.00 0.00 H new ATOM 0 HD12 LEU A 58 17.631 -16.589 5.456 1.00 0.00 H new ATOM 0 HD13 LEU A 58 19.050 -16.376 4.403 1.00 0.00 H new ATOM 0 HD21 LEU A 58 19.191 -13.315 4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 58 19.332 -14.154 3.157 1.00 0.00 H new ATOM 0 HD23 LEU A 58 18.100 -12.889 3.380 1.00 0.00 H new ATOM 887 N GLU A 59 14.799 -17.235 1.542 1.00 0.00 N ATOM 888 CA GLU A 59 14.023 -17.463 0.329 1.00 0.00 C ATOM 889 C GLU A 59 12.882 -18.442 0.589 1.00 0.00 C ATOM 890 O GLU A 59 12.022 -18.652 -0.267 1.00 0.00 O ATOM 891 CB GLU A 59 14.924 -17.998 -0.786 1.00 0.00 C ATOM 892 CG GLU A 59 16.077 -17.071 -1.135 1.00 0.00 C ATOM 893 CD GLU A 59 15.665 -15.958 -2.078 1.00 0.00 C ATOM 894 OE1 GLU A 59 14.788 -15.153 -1.700 1.00 0.00 O ATOM 895 OE2 GLU A 59 16.220 -15.891 -3.195 1.00 0.00 O ATOM 0 H GLU A 59 15.439 -17.992 1.782 1.00 0.00 H new ATOM 0 HA GLU A 59 13.597 -16.510 0.016 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.325 -18.966 -0.484 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.322 -18.167 -1.679 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.479 -16.637 -0.220 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.879 -17.651 -1.592 1.00 0.00 H new ATOM 902 N ARG A 60 12.881 -19.039 1.776 1.00 0.00 N ATOM 903 CA ARG A 60 11.847 -19.997 2.149 1.00 0.00 C ATOM 904 C ARG A 60 10.511 -19.295 2.373 1.00 0.00 C ATOM 905 O ARG A 60 10.318 -18.610 3.378 1.00 0.00 O ATOM 906 CB ARG A 60 12.256 -20.755 3.414 1.00 0.00 C ATOM 907 CG ARG A 60 11.592 -22.115 3.550 1.00 0.00 C ATOM 908 CD ARG A 60 12.453 -23.077 4.353 1.00 0.00 C ATOM 909 NE ARG A 60 11.800 -24.370 4.541 1.00 0.00 N ATOM 910 CZ ARG A 60 12.453 -25.484 4.856 1.00 0.00 C ATOM 911 NH1 ARG A 60 13.768 -25.462 5.018 1.00 0.00 N ATOM 912 NH2 ARG A 60 11.788 -26.622 5.009 1.00 0.00 N ATOM 0 H ARG A 60 13.585 -18.876 2.496 1.00 0.00 H new ATOM 0 HA ARG A 60 11.732 -20.707 1.330 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.338 -20.887 3.415 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.008 -20.150 4.286 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.623 -22.001 4.035 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.406 -22.531 2.560 1.00 0.00 H new ATOM 0 HD2 ARG A 60 13.405 -23.223 3.843 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.676 -22.639 5.326 1.00 0.00 H new ATOM 0 HE ARG A 60 10.788 -24.421 4.424 1.00 0.00 H new ATOM 0 HH11 ARG A 60 14.282 -24.589 4.901 1.00 0.00 H new ATOM 0 HH12 ARG A 60 14.266 -26.318 5.260 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.776 -26.642 4.885 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.289 -27.477 5.251 1.00 0.00 H new ATOM 926 N VAL A 61 9.590 -19.470 1.430 1.00 0.00 N ATOM 927 CA VAL A 61 8.272 -18.855 1.525 1.00 0.00 C ATOM 928 C VAL A 61 7.331 -19.700 2.376 1.00 0.00 C ATOM 929 O VAL A 61 6.844 -20.742 1.936 1.00 0.00 O ATOM 930 CB VAL A 61 7.646 -18.653 0.133 1.00 0.00 C ATOM 931 CG1 VAL A 61 6.230 -18.110 0.257 1.00 0.00 C ATOM 932 CG2 VAL A 61 8.509 -17.726 -0.710 1.00 0.00 C ATOM 0 H VAL A 61 9.733 -20.033 0.592 1.00 0.00 H new ATOM 0 HA VAL A 61 8.410 -17.883 1.998 1.00 0.00 H new ATOM 0 HB VAL A 61 7.596 -19.620 -0.367 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.804 -17.974 -0.737 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.618 -18.815 0.820 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.252 -17.152 0.777 1.00 0.00 H new ATOM 0 HG21 VAL A 61 8.051 -17.595 -1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 61 8.593 -16.758 -0.216 1.00 0.00 H new ATOM 0 HG23 VAL A 61 9.502 -18.160 -0.828 1.00 0.00 H new ATOM 942 N THR A 62 7.077 -19.244 3.599 1.00 0.00 N ATOM 943 CA THR A 62 6.194 -19.957 4.513 1.00 0.00 C ATOM 944 C THR A 62 4.754 -19.480 4.371 1.00 0.00 C ATOM 945 O THR A 62 4.486 -18.468 3.723 1.00 0.00 O ATOM 946 CB THR A 62 6.640 -19.781 5.977 1.00 0.00 C ATOM 947 OG1 THR A 62 6.607 -18.395 6.335 1.00 0.00 O ATOM 948 CG2 THR A 62 8.043 -20.331 6.185 1.00 0.00 C ATOM 0 H THR A 62 7.471 -18.383 3.979 1.00 0.00 H new ATOM 0 HA THR A 62 6.251 -21.013 4.248 1.00 0.00 H new ATOM 0 HB THR A 62 5.951 -20.337 6.613 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.890 -18.291 7.267 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.336 -20.196 7.226 1.00 0.00 H new ATOM 0 HG22 THR A 62 8.058 -21.393 5.939 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.742 -19.799 5.539 1.00 0.00 H new ATOM 956 N SER A 63 3.829 -20.214 4.982 1.00 0.00 N ATOM 957 CA SER A 63 2.414 -19.866 4.921 1.00 0.00 C ATOM 958 C SER A 63 2.177 -18.458 5.458 1.00 0.00 C ATOM 959 O SER A 63 1.386 -17.694 4.902 1.00 0.00 O ATOM 960 CB SER A 63 1.584 -20.875 5.718 1.00 0.00 C ATOM 961 OG SER A 63 1.834 -20.755 7.108 1.00 0.00 O ATOM 0 H SER A 63 4.034 -21.053 5.525 1.00 0.00 H new ATOM 0 HA SER A 63 2.103 -19.895 3.877 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.524 -20.715 5.521 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.821 -21.887 5.389 1.00 0.00 H new ATOM 0 HG SER A 63 1.291 -21.409 7.596 1.00 0.00 H new ATOM 967 N LEU A 64 2.867 -18.121 6.542 1.00 0.00 N ATOM 968 CA LEU A 64 2.732 -16.805 7.156 1.00 0.00 C ATOM 969 C LEU A 64 3.241 -15.713 6.220 1.00 0.00 C ATOM 970 O LEU A 64 2.625 -14.655 6.090 1.00 0.00 O ATOM 971 CB LEU A 64 3.500 -16.757 8.479 1.00 0.00 C ATOM 972 CG LEU A 64 3.664 -15.374 9.110 1.00 0.00 C ATOM 973 CD1 LEU A 64 2.313 -14.816 9.531 1.00 0.00 C ATOM 974 CD2 LEU A 64 4.610 -15.439 10.299 1.00 0.00 C ATOM 0 H LEU A 64 3.526 -18.741 7.014 1.00 0.00 H new ATOM 0 HA LEU A 64 1.674 -16.628 7.350 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.992 -17.403 9.195 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.491 -17.180 8.316 1.00 0.00 H new ATOM 0 HG LEU A 64 4.095 -14.705 8.365 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.449 -13.831 9.978 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.666 -14.732 8.658 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.854 -15.485 10.259 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.715 -14.446 10.735 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.208 -16.123 11.046 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.586 -15.795 9.969 1.00 0.00 H new ATOM 986 N LYS A 65 4.368 -15.977 5.568 1.00 0.00 N ATOM 987 CA LYS A 65 4.958 -15.020 4.641 1.00 0.00 C ATOM 988 C LYS A 65 3.977 -14.664 3.528 1.00 0.00 C ATOM 989 O LYS A 65 3.921 -13.519 3.079 1.00 0.00 O ATOM 990 CB LYS A 65 6.245 -15.589 4.038 1.00 0.00 C ATOM 991 CG LYS A 65 7.489 -15.272 4.849 1.00 0.00 C ATOM 992 CD LYS A 65 8.741 -15.821 4.187 1.00 0.00 C ATOM 993 CE LYS A 65 9.833 -16.104 5.207 1.00 0.00 C ATOM 994 NZ LYS A 65 9.574 -17.362 5.961 1.00 0.00 N ATOM 0 H LYS A 65 4.891 -16.847 5.665 1.00 0.00 H new ATOM 0 HA LYS A 65 5.194 -14.113 5.197 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.146 -16.671 3.948 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.369 -15.195 3.029 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.582 -14.192 4.967 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.390 -15.694 5.849 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.497 -16.737 3.650 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.107 -15.107 3.450 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.795 -16.176 4.699 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.903 -15.270 5.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.995 -17.291 6.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.548 -17.510 6.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.998 -18.165 5.453 1.00 0.00 H new ATOM 1008 N VAL A 66 3.204 -15.652 3.088 1.00 0.00 N ATOM 1009 CA VAL A 66 2.223 -15.442 2.030 1.00 0.00 C ATOM 1010 C VAL A 66 1.117 -14.497 2.487 1.00 0.00 C ATOM 1011 O VAL A 66 0.661 -13.644 1.724 1.00 0.00 O ATOM 1012 CB VAL A 66 1.593 -16.772 1.577 1.00 0.00 C ATOM 1013 CG1 VAL A 66 0.415 -16.516 0.649 1.00 0.00 C ATOM 1014 CG2 VAL A 66 2.634 -17.651 0.900 1.00 0.00 C ATOM 0 H VAL A 66 3.238 -16.606 3.448 1.00 0.00 H new ATOM 0 HA VAL A 66 2.754 -14.996 1.189 1.00 0.00 H new ATOM 0 HB VAL A 66 1.224 -17.298 2.458 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.017 -17.467 0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.339 -15.928 1.172 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.756 -15.969 -0.230 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.172 -18.587 0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.035 -17.134 0.028 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.442 -17.863 1.600 1.00 0.00 H new ATOM 1024 N TYR A 67 0.689 -14.655 3.734 1.00 0.00 N ATOM 1025 CA TYR A 67 -0.366 -13.818 4.292 1.00 0.00 C ATOM 1026 C TYR A 67 0.097 -12.369 4.417 1.00 0.00 C ATOM 1027 O TYR A 67 -0.680 -11.438 4.209 1.00 0.00 O ATOM 1028 CB TYR A 67 -0.796 -14.347 5.661 1.00 0.00 C ATOM 1029 CG TYR A 67 -2.038 -13.679 6.206 1.00 0.00 C ATOM 1030 CD1 TYR A 67 -3.249 -13.763 5.531 1.00 0.00 C ATOM 1031 CD2 TYR A 67 -2.000 -12.964 7.397 1.00 0.00 C ATOM 1032 CE1 TYR A 67 -4.386 -13.154 6.025 1.00 0.00 C ATOM 1033 CE2 TYR A 67 -3.132 -12.352 7.899 1.00 0.00 C ATOM 1034 CZ TYR A 67 -4.323 -12.449 7.210 1.00 0.00 C ATOM 1035 OH TYR A 67 -5.453 -11.842 7.706 1.00 0.00 O ATOM 0 H TYR A 67 1.057 -15.355 4.378 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.218 -13.851 3.613 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.974 -15.420 5.587 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.022 -14.207 6.368 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.302 -14.314 4.604 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.069 -12.885 7.939 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.319 -13.229 5.487 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.085 -11.800 8.826 1.00 0.00 H new ATOM 0 HH TYR A 67 -5.238 -11.389 8.548 1.00 0.00 H new ATOM 1045 N ASN A 68 1.369 -12.189 4.758 1.00 0.00 N ATOM 1046 CA ASN A 68 1.937 -10.854 4.911 1.00 0.00 C ATOM 1047 C ASN A 68 1.895 -10.091 3.591 1.00 0.00 C ATOM 1048 O ASN A 68 1.535 -8.914 3.554 1.00 0.00 O ATOM 1049 CB ASN A 68 3.379 -10.946 5.415 1.00 0.00 C ATOM 1050 CG ASN A 68 3.463 -10.946 6.929 1.00 0.00 C ATOM 1051 OD1 ASN A 68 3.207 -9.930 7.576 1.00 0.00 O ATOM 1052 ND2 ASN A 68 3.824 -12.088 7.501 1.00 0.00 N ATOM 0 H ASN A 68 2.025 -12.950 4.933 1.00 0.00 H new ATOM 0 HA ASN A 68 1.337 -10.312 5.642 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.839 -11.855 5.028 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.953 -10.107 5.022 1.00 0.00 H new ATOM 0 HD21 ASN A 68 3.899 -12.149 8.516 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.027 -12.905 6.925 1.00 0.00 H new ATOM 1059 N TRP A 69 2.265 -10.768 2.510 1.00 0.00 N ATOM 1060 CA TRP A 69 2.270 -10.154 1.187 1.00 0.00 C ATOM 1061 C TRP A 69 0.849 -9.853 0.722 1.00 0.00 C ATOM 1062 O TRP A 69 0.575 -8.777 0.190 1.00 0.00 O ATOM 1063 CB TRP A 69 2.966 -11.069 0.179 1.00 0.00 C ATOM 1064 CG TRP A 69 2.997 -10.509 -1.210 1.00 0.00 C ATOM 1065 CD1 TRP A 69 4.054 -9.900 -1.825 1.00 0.00 C ATOM 1066 CD2 TRP A 69 1.923 -10.503 -2.156 1.00 0.00 C ATOM 1067 NE1 TRP A 69 3.701 -9.516 -3.096 1.00 0.00 N ATOM 1068 CE2 TRP A 69 2.399 -9.876 -3.324 1.00 0.00 C ATOM 1069 CE3 TRP A 69 0.605 -10.969 -2.131 1.00 0.00 C ATOM 1070 CZ2 TRP A 69 1.603 -9.703 -4.453 1.00 0.00 C ATOM 1071 CZ3 TRP A 69 -0.184 -10.796 -3.253 1.00 0.00 C ATOM 1072 CH2 TRP A 69 0.317 -10.168 -4.401 1.00 0.00 C ATOM 0 H TRP A 69 2.566 -11.743 2.523 1.00 0.00 H new ATOM 0 HA TRP A 69 2.819 -9.214 1.252 1.00 0.00 H new ATOM 0 HB2 TRP A 69 3.988 -11.253 0.512 1.00 0.00 H new ATOM 0 HB3 TRP A 69 2.457 -12.033 0.163 1.00 0.00 H new ATOM 0 HD1 TRP A 69 5.024 -9.743 -1.378 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.310 -9.040 -3.762 1.00 0.00 H new ATOM 0 HE3 TRP A 69 0.210 -11.455 -1.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.987 -9.219 -5.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -1.204 -11.151 -3.244 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -0.324 -10.049 -5.262 1.00 0.00 H new ATOM 1083 N PHE A 70 -0.051 -10.809 0.927 1.00 0.00 N ATOM 1084 CA PHE A 70 -1.444 -10.646 0.527 1.00 0.00 C ATOM 1085 C PHE A 70 -2.088 -9.475 1.265 1.00 0.00 C ATOM 1086 O PHE A 70 -2.809 -8.675 0.671 1.00 0.00 O ATOM 1087 CB PHE A 70 -2.229 -11.930 0.801 1.00 0.00 C ATOM 1088 CG PHE A 70 -2.215 -12.898 -0.347 1.00 0.00 C ATOM 1089 CD1 PHE A 70 -1.024 -13.453 -0.788 1.00 0.00 C ATOM 1090 CD2 PHE A 70 -3.392 -13.252 -0.987 1.00 0.00 C ATOM 1091 CE1 PHE A 70 -1.007 -14.344 -1.844 1.00 0.00 C ATOM 1092 CE2 PHE A 70 -3.381 -14.143 -2.043 1.00 0.00 C ATOM 1093 CZ PHE A 70 -2.187 -14.689 -2.473 1.00 0.00 C ATOM 0 H PHE A 70 0.159 -11.705 1.368 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.467 -10.436 -0.542 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.814 -12.419 1.683 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.262 -11.672 1.036 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.098 -13.186 -0.300 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.328 -12.827 -0.657 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.072 -14.770 -2.177 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.305 -14.413 -2.532 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.176 -15.384 -3.299 1.00 0.00 H new ATOM 1103 N ALA A 71 -1.822 -9.384 2.564 1.00 0.00 N ATOM 1104 CA ALA A 71 -2.373 -8.312 3.383 1.00 0.00 C ATOM 1105 C ALA A 71 -1.894 -6.948 2.898 1.00 0.00 C ATOM 1106 O ALA A 71 -2.625 -5.962 2.969 1.00 0.00 O ATOM 1107 CB ALA A 71 -1.997 -8.517 4.843 1.00 0.00 C ATOM 0 H ALA A 71 -1.228 -10.040 3.071 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.459 -8.340 3.291 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.415 -7.709 5.443 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.395 -9.471 5.191 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.912 -8.519 4.942 1.00 0.00 H new ATOM 1113 N ASN A 72 -0.661 -6.901 2.404 1.00 0.00 N ATOM 1114 CA ASN A 72 -0.084 -5.656 1.908 1.00 0.00 C ATOM 1115 C ASN A 72 -0.825 -5.171 0.666 1.00 0.00 C ATOM 1116 O ASN A 72 -1.002 -3.969 0.467 1.00 0.00 O ATOM 1117 CB ASN A 72 1.400 -5.850 1.587 1.00 0.00 C ATOM 1118 CG ASN A 72 2.170 -4.544 1.600 1.00 0.00 C ATOM 1119 OD1 ASN A 72 1.722 -3.541 1.044 1.00 0.00 O ATOM 1120 ND2 ASN A 72 3.335 -4.550 2.237 1.00 0.00 N ATOM 0 H ASN A 72 -0.043 -7.709 2.336 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.185 -4.901 2.688 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.839 -6.535 2.312 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.499 -6.317 0.607 1.00 0.00 H new ATOM 0 HD21 ASN A 72 3.897 -3.700 2.279 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.668 -5.404 2.684 1.00 0.00 H new ATOM 1127 N ARG A 73 -1.256 -6.113 -0.166 1.00 0.00 N ATOM 1128 CA ARG A 73 -1.977 -5.781 -1.389 1.00 0.00 C ATOM 1129 C ARG A 73 -3.415 -5.378 -1.079 1.00 0.00 C ATOM 1130 O ARG A 73 -3.905 -4.360 -1.570 1.00 0.00 O ATOM 1131 CB ARG A 73 -1.965 -6.970 -2.352 1.00 0.00 C ATOM 1132 CG ARG A 73 -2.922 -6.815 -3.522 1.00 0.00 C ATOM 1133 CD ARG A 73 -2.347 -5.904 -4.595 1.00 0.00 C ATOM 1134 NE ARG A 73 -3.393 -5.272 -5.395 1.00 0.00 N ATOM 1135 CZ ARG A 73 -3.158 -4.618 -6.527 1.00 0.00 C ATOM 1136 NH1 ARG A 73 -1.920 -4.511 -6.990 1.00 0.00 N ATOM 1137 NH2 ARG A 73 -4.163 -4.069 -7.198 1.00 0.00 N ATOM 0 H ARG A 73 -1.119 -7.112 -0.016 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.474 -4.936 -1.860 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -0.954 -7.106 -2.736 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.221 -7.875 -1.802 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.136 -7.794 -3.951 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.869 -6.409 -3.167 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.734 -5.134 -4.126 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.691 -6.481 -5.247 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.356 -5.336 -5.066 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.145 -4.931 -6.477 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.742 -4.008 -7.860 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.116 -4.149 -6.844 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.982 -3.567 -8.067 1.00 0.00 H new ATOM 1151 N ARG A 74 -4.087 -6.182 -0.262 1.00 0.00 N ATOM 1152 CA ARG A 74 -5.470 -5.910 0.112 1.00 0.00 C ATOM 1153 C ARG A 74 -5.590 -4.555 0.803 1.00 0.00 C ATOM 1154 O ARG A 74 -6.497 -3.776 0.513 1.00 0.00 O ATOM 1155 CB ARG A 74 -5.998 -7.012 1.032 1.00 0.00 C ATOM 1156 CG ARG A 74 -6.088 -8.374 0.362 1.00 0.00 C ATOM 1157 CD ARG A 74 -7.205 -9.216 0.959 1.00 0.00 C ATOM 1158 NE ARG A 74 -6.927 -9.593 2.342 1.00 0.00 N ATOM 1159 CZ ARG A 74 -6.113 -10.586 2.683 1.00 0.00 C ATOM 1160 NH1 ARG A 74 -5.501 -11.298 1.747 1.00 0.00 N ATOM 1161 NH2 ARG A 74 -5.911 -10.869 3.963 1.00 0.00 N ATOM 0 H ARG A 74 -3.696 -7.027 0.154 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.069 -5.888 -0.799 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.348 -7.088 1.904 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.986 -6.729 1.394 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.260 -8.244 -0.707 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.138 -8.898 0.471 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -8.141 -8.659 0.916 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.341 -10.115 0.359 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.382 -9.065 3.087 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.654 -11.084 0.762 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.877 -12.060 2.012 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.381 -10.324 4.686 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.286 -11.632 4.224 1.00 0.00 H new ATOM 1175 N LYS A 75 -4.668 -4.281 1.719 1.00 0.00 N ATOM 1176 CA LYS A 75 -4.668 -3.020 2.452 1.00 0.00 C ATOM 1177 C LYS A 75 -4.266 -1.863 1.544 1.00 0.00 C ATOM 1178 O LYS A 75 -4.752 -0.743 1.700 1.00 0.00 O ATOM 1179 CB LYS A 75 -3.714 -3.100 3.646 1.00 0.00 C ATOM 1180 CG LYS A 75 -2.288 -2.694 3.314 1.00 0.00 C ATOM 1181 CD LYS A 75 -1.285 -3.382 4.225 1.00 0.00 C ATOM 1182 CE LYS A 75 -1.416 -2.901 5.662 1.00 0.00 C ATOM 1183 NZ LYS A 75 -2.577 -3.529 6.353 1.00 0.00 N ATOM 0 H LYS A 75 -3.910 -4.915 1.972 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.680 -2.840 2.815 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.089 -2.459 4.444 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.712 -4.120 4.031 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.070 -2.945 2.276 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.185 -1.613 3.409 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.437 -4.461 4.186 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.274 -3.189 3.866 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.501 -3.132 6.207 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.529 -1.817 5.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.329 -3.719 7.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.393 -2.885 6.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.821 -4.423 5.880 1.00 0.00 H new