USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 496 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 79 SER OG : rot -76:sc= 0.564 USER MOD Set 1.2: A 80 LYS NZ :NH3+ 157:sc= 0.706 (180deg=-0.00988) USER MOD Set 2.1: A 47 TYR OH : rot 151:sc= 0.859 USER MOD Set 2.2: A 78 CYS SG : rot -24:sc= -2.03! USER MOD Single : A 13 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00026) USER MOD Single : A 16 CYS SG : rot 44:sc= -0.908 USER MOD Single : A 17 MET CE :methyl 174:sc= -3.44 (180deg=-3.8) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.0551 X(o=-0.055,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -170:sc= 0 USER MOD Single : A 37 MET CE :methyl 151:sc= -1.34 (180deg=-2.74) USER MOD Single : A 39 MET CE :methyl -152:sc= -0.636 (180deg=-4.4) USER MOD Single : A 41 THR OG1 : rot 102:sc= 1.21 USER MOD Single : A 42 LYS NZ :NH3+ 164:sc= 0.241 (180deg=-0.0523) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -150:sc= 1.13 (180deg=1.11) USER MOD Single : A 52 THR OG1 : rot -110:sc= 0.0652 USER MOD Single : A 56 MET CE :methyl 174:sc= -0.412 (180deg=-0.463) USER MOD Single : A 57 LYS NZ :NH3+ -129:sc= 1.26 (180deg=-0.08) USER MOD Single : A 67 LYS NZ :NH3+ -156:sc= 1.48 (180deg=0.904) USER MOD Single : A 68 ASN : amide:sc= -2.83 K(o=-2.8,f=-5.6!) USER MOD Single : A 76 THR OG1 : rot 177:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 158 N GLU A 12 26.211 -30.430 -23.548 1.00 0.00 N ATOM 159 CA GLU A 12 27.378 -29.556 -23.367 1.00 0.00 C ATOM 160 C GLU A 12 27.591 -28.662 -24.612 1.00 0.00 C ATOM 161 O GLU A 12 28.254 -27.626 -24.561 1.00 0.00 O ATOM 162 CB GLU A 12 28.654 -30.281 -22.919 1.00 0.00 C ATOM 163 CG GLU A 12 29.432 -30.895 -24.087 1.00 0.00 C ATOM 164 CD GLU A 12 30.812 -31.333 -23.632 1.00 0.00 C ATOM 165 OE1 GLU A 12 30.922 -32.378 -22.957 1.00 0.00 O ATOM 166 OE2 GLU A 12 31.796 -30.636 -23.954 1.00 0.00 O ATOM 0 HA GLU A 12 27.146 -28.906 -22.523 1.00 0.00 H new ATOM 0 HB2 GLU A 12 29.298 -29.579 -22.389 1.00 0.00 H new ATOM 0 HB3 GLU A 12 28.390 -31.067 -22.212 1.00 0.00 H new ATOM 0 HG2 GLU A 12 28.886 -31.749 -24.487 1.00 0.00 H new ATOM 0 HG3 GLU A 12 29.522 -30.168 -24.894 1.00 0.00 H new ATOM 173 N LYS A 13 27.021 -29.086 -25.748 1.00 0.00 N ATOM 174 CA LYS A 13 26.879 -28.169 -26.879 1.00 0.00 C ATOM 175 C LYS A 13 26.107 -26.903 -26.500 1.00 0.00 C ATOM 176 O LYS A 13 26.562 -25.786 -26.760 1.00 0.00 O ATOM 177 CB LYS A 13 26.293 -28.889 -28.113 1.00 0.00 C ATOM 178 CG LYS A 13 25.840 -27.949 -29.252 1.00 0.00 C ATOM 179 CD LYS A 13 24.478 -27.256 -29.019 1.00 0.00 C ATOM 180 CE LYS A 13 23.389 -28.210 -28.506 1.00 0.00 C ATOM 181 NZ LYS A 13 22.155 -27.458 -28.212 1.00 0.00 N ATOM 0 H LYS A 13 26.662 -30.028 -25.904 1.00 0.00 H new ATOM 0 HA LYS A 13 27.877 -27.832 -27.160 1.00 0.00 H new ATOM 0 HB2 LYS A 13 27.041 -29.578 -28.504 1.00 0.00 H new ATOM 0 HB3 LYS A 13 25.441 -29.490 -27.796 1.00 0.00 H new ATOM 0 HG2 LYS A 13 26.602 -27.183 -29.396 1.00 0.00 H new ATOM 0 HG3 LYS A 13 25.786 -28.522 -30.177 1.00 0.00 H new ATOM 0 HD2 LYS A 13 24.609 -26.446 -28.301 1.00 0.00 H new ATOM 0 HD3 LYS A 13 24.144 -26.804 -29.953 1.00 0.00 H new ATOM 0 HE2 LYS A 13 23.187 -28.979 -29.252 1.00 0.00 H new ATOM 0 HE3 LYS A 13 23.736 -28.721 -27.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 21.430 -28.109 -27.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 22.354 -26.729 -27.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 21.809 -27.004 -29.082 1.00 0.00 H new ATOM 195 N ASP A 14 24.929 -27.057 -25.886 1.00 0.00 N ATOM 196 CA ASP A 14 24.239 -25.866 -25.379 1.00 0.00 C ATOM 197 C ASP A 14 25.109 -25.086 -24.389 1.00 0.00 C ATOM 198 O ASP A 14 25.146 -23.859 -24.407 1.00 0.00 O ATOM 199 CB ASP A 14 22.870 -26.174 -24.765 1.00 0.00 C ATOM 200 CG ASP A 14 21.974 -24.942 -24.750 1.00 0.00 C ATOM 201 OD1 ASP A 14 21.454 -24.568 -25.823 1.00 0.00 O ATOM 202 OD2 ASP A 14 21.790 -24.341 -23.669 1.00 0.00 O ATOM 0 H ASP A 14 24.453 -27.946 -25.733 1.00 0.00 H new ATOM 0 HA ASP A 14 24.059 -25.239 -26.252 1.00 0.00 H new ATOM 0 HB2 ASP A 14 22.387 -26.970 -25.332 1.00 0.00 H new ATOM 0 HB3 ASP A 14 23.001 -26.542 -23.747 1.00 0.00 H new ATOM 207 N GLU A 15 25.842 -25.801 -23.539 1.00 0.00 N ATOM 208 CA GLU A 15 26.800 -25.116 -22.659 1.00 0.00 C ATOM 209 C GLU A 15 27.792 -24.244 -23.414 1.00 0.00 C ATOM 210 O GLU A 15 27.891 -23.042 -23.179 1.00 0.00 O ATOM 211 CB GLU A 15 27.591 -26.075 -21.753 1.00 0.00 C ATOM 212 CG GLU A 15 26.866 -26.327 -20.430 1.00 0.00 C ATOM 213 CD GLU A 15 27.666 -27.261 -19.535 1.00 0.00 C ATOM 214 OE1 GLU A 15 27.523 -28.495 -19.676 1.00 0.00 O ATOM 215 OE2 GLU A 15 28.435 -26.767 -18.683 1.00 0.00 O ATOM 0 H GLU A 15 25.800 -26.815 -23.437 1.00 0.00 H new ATOM 0 HA GLU A 15 26.168 -24.482 -22.038 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.744 -27.022 -22.271 1.00 0.00 H new ATOM 0 HB3 GLU A 15 28.578 -25.657 -21.554 1.00 0.00 H new ATOM 0 HG2 GLU A 15 26.701 -25.380 -19.917 1.00 0.00 H new ATOM 0 HG3 GLU A 15 25.885 -26.759 -20.626 1.00 0.00 H new ATOM 222 N CYS A 16 28.524 -24.850 -24.336 1.00 0.00 N ATOM 223 CA CYS A 16 29.555 -24.078 -25.046 1.00 0.00 C ATOM 224 C CYS A 16 28.992 -22.892 -25.838 1.00 0.00 C ATOM 225 O CYS A 16 29.586 -21.816 -25.823 1.00 0.00 O ATOM 226 CB CYS A 16 30.571 -24.894 -25.859 1.00 0.00 C ATOM 227 SG CYS A 16 31.888 -23.786 -26.448 1.00 0.00 S ATOM 0 H CYS A 16 28.438 -25.829 -24.608 1.00 0.00 H new ATOM 0 HA CYS A 16 30.146 -23.667 -24.228 1.00 0.00 H new ATOM 0 HB2 CYS A 16 30.994 -25.688 -25.244 1.00 0.00 H new ATOM 0 HB3 CYS A 16 30.078 -25.374 -26.704 1.00 0.00 H new ATOM 0 HG CYS A 16 32.248 -22.990 -25.485 1.00 0.00 H new ATOM 233 N MET A 17 27.847 -23.034 -26.519 1.00 0.00 N ATOM 234 CA MET A 17 27.277 -21.824 -27.157 1.00 0.00 C ATOM 235 C MET A 17 26.506 -20.905 -26.188 1.00 0.00 C ATOM 236 O MET A 17 26.292 -19.728 -26.476 1.00 0.00 O ATOM 237 CB MET A 17 26.573 -22.010 -28.509 1.00 0.00 C ATOM 238 CG MET A 17 27.282 -21.130 -29.565 1.00 0.00 C ATOM 239 SD MET A 17 29.072 -21.437 -29.444 1.00 0.00 S ATOM 240 CE MET A 17 29.747 -20.529 -30.847 1.00 0.00 C ATOM 0 H MET A 17 27.324 -23.901 -26.643 1.00 0.00 H new ATOM 0 HA MET A 17 28.182 -21.285 -27.438 1.00 0.00 H new ATOM 0 HB2 MET A 17 26.603 -23.057 -28.809 1.00 0.00 H new ATOM 0 HB3 MET A 17 25.522 -21.731 -28.429 1.00 0.00 H new ATOM 0 HG2 MET A 17 26.921 -21.370 -30.565 1.00 0.00 H new ATOM 0 HG3 MET A 17 27.064 -20.076 -29.392 1.00 0.00 H new ATOM 0 HE1 MET A 17 30.836 -20.558 -30.809 1.00 0.00 H new ATOM 0 HE2 MET A 17 29.404 -20.986 -31.775 1.00 0.00 H new ATOM 0 HE3 MET A 17 29.410 -19.493 -30.806 1.00 0.00 H new ATOM 250 N LYS A 18 26.126 -21.407 -25.015 1.00 0.00 N ATOM 251 CA LYS A 18 25.519 -20.515 -24.022 1.00 0.00 C ATOM 252 C LYS A 18 26.571 -19.647 -23.327 1.00 0.00 C ATOM 253 O LYS A 18 26.384 -18.446 -23.130 1.00 0.00 O ATOM 254 CB LYS A 18 24.631 -21.255 -23.009 1.00 0.00 C ATOM 255 CG LYS A 18 23.576 -20.334 -22.382 1.00 0.00 C ATOM 256 CD LYS A 18 22.332 -20.258 -23.272 1.00 0.00 C ATOM 257 CE LYS A 18 21.120 -19.769 -22.477 1.00 0.00 C ATOM 258 NZ LYS A 18 19.931 -19.756 -23.347 1.00 0.00 N ATOM 0 H LYS A 18 26.220 -22.383 -24.733 1.00 0.00 H new ATOM 0 HA LYS A 18 24.855 -19.851 -24.575 1.00 0.00 H new ATOM 0 HB2 LYS A 18 24.134 -22.089 -23.505 1.00 0.00 H new ATOM 0 HB3 LYS A 18 25.255 -21.678 -22.222 1.00 0.00 H new ATOM 0 HG2 LYS A 18 23.302 -20.705 -21.395 1.00 0.00 H new ATOM 0 HG3 LYS A 18 23.992 -19.336 -22.243 1.00 0.00 H new ATOM 0 HD2 LYS A 18 22.519 -19.584 -24.108 1.00 0.00 H new ATOM 0 HD3 LYS A 18 22.122 -21.240 -23.695 1.00 0.00 H new ATOM 0 HE2 LYS A 18 20.948 -20.419 -21.619 1.00 0.00 H new ATOM 0 HE3 LYS A 18 21.308 -18.769 -22.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 19.108 -19.423 -22.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 20.097 -19.118 -24.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 19.748 -20.717 -23.699 1.00 0.00 H new ATOM 272 N ILE A 19 27.691 -20.252 -22.943 1.00 0.00 N ATOM 273 CA ILE A 19 28.818 -19.422 -22.503 1.00 0.00 C ATOM 274 C ILE A 19 29.419 -18.603 -23.659 1.00 0.00 C ATOM 275 O ILE A 19 29.917 -17.497 -23.464 1.00 0.00 O ATOM 276 CB ILE A 19 29.891 -20.182 -21.721 1.00 0.00 C ATOM 277 CG1 ILE A 19 30.919 -19.180 -21.195 1.00 0.00 C ATOM 278 CG2 ILE A 19 30.534 -21.282 -22.565 1.00 0.00 C ATOM 279 CD1 ILE A 19 31.670 -19.701 -19.976 1.00 0.00 C ATOM 0 H ILE A 19 27.845 -21.260 -22.925 1.00 0.00 H new ATOM 0 HA ILE A 19 28.389 -18.720 -21.788 1.00 0.00 H new ATOM 0 HB ILE A 19 29.430 -20.691 -20.874 1.00 0.00 H new ATOM 0 HG12 ILE A 19 31.633 -18.948 -21.985 1.00 0.00 H new ATOM 0 HG13 ILE A 19 30.415 -18.249 -20.937 1.00 0.00 H new ATOM 0 HG21 ILE A 19 31.291 -21.799 -21.974 1.00 0.00 H new ATOM 0 HG22 ILE A 19 29.770 -21.994 -22.878 1.00 0.00 H new ATOM 0 HG23 ILE A 19 31.001 -20.839 -23.445 1.00 0.00 H new ATOM 0 HD11 ILE A 19 32.387 -18.951 -19.643 1.00 0.00 H new ATOM 0 HD12 ILE A 19 30.962 -19.908 -19.173 1.00 0.00 H new ATOM 0 HD13 ILE A 19 32.199 -20.617 -20.239 1.00 0.00 H new ATOM 291 N PHE A 20 29.391 -19.151 -24.869 1.00 0.00 N ATOM 292 CA PHE A 20 29.695 -18.316 -26.040 1.00 0.00 C ATOM 293 C PHE A 20 28.771 -17.071 -26.096 1.00 0.00 C ATOM 294 O PHE A 20 29.144 -15.990 -26.548 1.00 0.00 O ATOM 295 CB PHE A 20 29.583 -19.111 -27.355 1.00 0.00 C ATOM 296 CG PHE A 20 30.320 -18.452 -28.503 1.00 0.00 C ATOM 297 CD1 PHE A 20 29.791 -17.365 -29.108 1.00 0.00 C ATOM 298 CD2 PHE A 20 31.557 -18.872 -28.866 1.00 0.00 C ATOM 299 CE1 PHE A 20 30.591 -16.534 -29.814 1.00 0.00 C ATOM 300 CE2 PHE A 20 32.386 -18.015 -29.507 1.00 0.00 C ATOM 301 CZ PHE A 20 31.911 -16.821 -29.940 1.00 0.00 C ATOM 0 H PHE A 20 29.172 -20.127 -25.068 1.00 0.00 H new ATOM 0 HA PHE A 20 30.727 -17.984 -25.930 1.00 0.00 H new ATOM 0 HB2 PHE A 20 29.980 -20.115 -27.203 1.00 0.00 H new ATOM 0 HB3 PHE A 20 28.531 -19.221 -27.620 1.00 0.00 H new ATOM 0 HD1 PHE A 20 28.733 -17.161 -29.028 1.00 0.00 H new ATOM 0 HD2 PHE A 20 31.878 -19.880 -28.646 1.00 0.00 H new ATOM 0 HE1 PHE A 20 30.182 -15.647 -30.275 1.00 0.00 H new ATOM 0 HE2 PHE A 20 33.420 -18.281 -29.673 1.00 0.00 H new ATOM 0 HZ PHE A 20 32.582 -16.100 -30.384 1.00 0.00 H new ATOM 311 N ASP A 21 27.548 -17.240 -25.608 1.00 0.00 N ATOM 312 CA ASP A 21 26.616 -16.105 -25.549 1.00 0.00 C ATOM 313 C ASP A 21 26.854 -15.170 -24.352 1.00 0.00 C ATOM 314 O ASP A 21 26.690 -13.954 -24.442 1.00 0.00 O ATOM 315 CB ASP A 21 25.164 -16.600 -25.564 1.00 0.00 C ATOM 316 CG ASP A 21 24.190 -15.553 -26.086 1.00 0.00 C ATOM 317 OD1 ASP A 21 24.204 -15.272 -27.303 1.00 0.00 O ATOM 318 OD2 ASP A 21 23.401 -15.008 -25.284 1.00 0.00 O ATOM 0 H ASP A 21 27.179 -18.123 -25.255 1.00 0.00 H new ATOM 0 HA ASP A 21 26.809 -15.509 -26.441 1.00 0.00 H new ATOM 0 HB2 ASP A 21 25.096 -17.494 -26.184 1.00 0.00 H new ATOM 0 HB3 ASP A 21 24.873 -16.889 -24.554 1.00 0.00 H new ATOM 323 N ILE A 22 27.218 -15.739 -23.211 1.00 0.00 N ATOM 324 CA ILE A 22 27.574 -14.868 -22.068 1.00 0.00 C ATOM 325 C ILE A 22 28.923 -14.164 -22.302 1.00 0.00 C ATOM 326 O ILE A 22 29.041 -12.941 -22.235 1.00 0.00 O ATOM 327 CB ILE A 22 27.593 -15.517 -20.651 1.00 0.00 C ATOM 328 CG1 ILE A 22 26.240 -16.124 -20.239 1.00 0.00 C ATOM 329 CG2 ILE A 22 27.965 -14.450 -19.615 1.00 0.00 C ATOM 330 CD1 ILE A 22 26.463 -17.250 -19.227 1.00 0.00 C ATOM 0 H ILE A 22 27.278 -16.743 -23.041 1.00 0.00 H new ATOM 0 HA ILE A 22 26.741 -14.165 -22.049 1.00 0.00 H new ATOM 0 HB ILE A 22 28.323 -16.325 -20.690 1.00 0.00 H new ATOM 0 HG12 ILE A 22 25.603 -15.354 -19.805 1.00 0.00 H new ATOM 0 HG13 ILE A 22 25.722 -16.509 -21.117 1.00 0.00 H new ATOM 0 HG21 ILE A 22 27.980 -14.897 -18.621 1.00 0.00 H new ATOM 0 HG22 ILE A 22 28.951 -14.046 -19.846 1.00 0.00 H new ATOM 0 HG23 ILE A 22 27.229 -13.646 -19.640 1.00 0.00 H new ATOM 0 HD11 ILE A 22 25.502 -17.676 -18.939 1.00 0.00 H new ATOM 0 HD12 ILE A 22 27.084 -18.025 -19.676 1.00 0.00 H new ATOM 0 HD13 ILE A 22 26.963 -16.852 -18.344 1.00 0.00 H new ATOM 342 N PHE A 23 29.948 -14.960 -22.562 1.00 0.00 N ATOM 343 CA PHE A 23 31.299 -14.397 -22.683 1.00 0.00 C ATOM 344 C PHE A 23 31.609 -13.760 -24.026 1.00 0.00 C ATOM 345 O PHE A 23 32.377 -12.809 -24.100 1.00 0.00 O ATOM 346 CB PHE A 23 32.383 -15.470 -22.505 1.00 0.00 C ATOM 347 CG PHE A 23 32.655 -15.811 -21.049 1.00 0.00 C ATOM 348 CD1 PHE A 23 31.625 -16.087 -20.218 1.00 0.00 C ATOM 349 CD2 PHE A 23 33.914 -15.755 -20.549 1.00 0.00 C ATOM 350 CE1 PHE A 23 31.797 -16.007 -18.878 1.00 0.00 C ATOM 351 CE2 PHE A 23 34.092 -15.640 -19.208 1.00 0.00 C ATOM 352 CZ PHE A 23 33.023 -15.723 -18.376 1.00 0.00 C ATOM 0 H PHE A 23 29.884 -15.970 -22.691 1.00 0.00 H new ATOM 0 HA PHE A 23 31.310 -13.640 -21.899 1.00 0.00 H new ATOM 0 HB2 PHE A 23 32.080 -16.374 -23.033 1.00 0.00 H new ATOM 0 HB3 PHE A 23 33.307 -15.124 -22.969 1.00 0.00 H new ATOM 0 HD1 PHE A 23 30.665 -16.371 -20.623 1.00 0.00 H new ATOM 0 HD2 PHE A 23 34.766 -15.801 -21.211 1.00 0.00 H new ATOM 0 HE1 PHE A 23 30.962 -16.169 -18.213 1.00 0.00 H new ATOM 0 HE2 PHE A 23 35.081 -15.483 -18.805 1.00 0.00 H new ATOM 0 HZ PHE A 23 33.149 -15.563 -17.315 1.00 0.00 H new ATOM 362 N ASP A 24 31.097 -14.339 -25.102 1.00 0.00 N ATOM 363 CA ASP A 24 31.606 -13.935 -26.410 1.00 0.00 C ATOM 364 C ASP A 24 30.666 -13.008 -27.193 1.00 0.00 C ATOM 365 O ASP A 24 30.863 -12.775 -28.385 1.00 0.00 O ATOM 366 CB ASP A 24 31.973 -15.144 -27.270 1.00 0.00 C ATOM 367 CG ASP A 24 33.318 -15.736 -26.892 1.00 0.00 C ATOM 368 OD1 ASP A 24 33.373 -16.559 -25.953 1.00 0.00 O ATOM 369 OD2 ASP A 24 34.324 -15.396 -27.548 1.00 0.00 O ATOM 0 H ASP A 24 30.368 -15.053 -25.105 1.00 0.00 H new ATOM 0 HA ASP A 24 32.504 -13.357 -26.189 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.201 -15.907 -27.167 1.00 0.00 H new ATOM 0 HB3 ASP A 24 31.991 -14.848 -28.319 1.00 0.00 H new ATOM 437 N ASN A 29 32.881 -10.890 -28.979 1.00 0.00 N ATOM 438 CA ASN A 29 33.008 -11.802 -30.136 1.00 0.00 C ATOM 439 C ASN A 29 34.410 -12.407 -30.287 1.00 0.00 C ATOM 440 O ASN A 29 34.737 -13.010 -31.305 1.00 0.00 O ATOM 441 CB ASN A 29 32.495 -11.191 -31.452 1.00 0.00 C ATOM 442 CG ASN A 29 31.045 -10.712 -31.357 1.00 0.00 C ATOM 443 OD1 ASN A 29 30.729 -9.561 -31.647 1.00 0.00 O ATOM 444 ND2 ASN A 29 30.138 -11.593 -30.976 1.00 0.00 N ATOM 0 HA ASN A 29 32.343 -12.635 -29.906 1.00 0.00 H new ATOM 0 HB2 ASN A 29 33.133 -10.352 -31.731 1.00 0.00 H new ATOM 0 HB3 ASN A 29 32.577 -11.932 -32.248 1.00 0.00 H new ATOM 0 HD21 ASN A 29 29.156 -11.322 -30.919 1.00 0.00 H new ATOM 0 HD22 ASN A 29 30.419 -12.544 -30.739 1.00 0.00 H new ATOM 451 N ILE A 30 35.229 -12.247 -29.255 1.00 0.00 N ATOM 452 CA ILE A 30 36.571 -12.830 -29.259 1.00 0.00 C ATOM 453 C ILE A 30 37.021 -13.022 -27.799 1.00 0.00 C ATOM 454 O ILE A 30 37.456 -12.086 -27.129 1.00 0.00 O ATOM 455 CB ILE A 30 37.626 -12.067 -30.099 1.00 0.00 C ATOM 456 CG1 ILE A 30 37.743 -10.597 -29.639 1.00 0.00 C ATOM 457 CG2 ILE A 30 37.311 -12.099 -31.597 1.00 0.00 C ATOM 458 CD1 ILE A 30 38.687 -9.780 -30.528 1.00 0.00 C ATOM 0 H ILE A 30 34.994 -11.724 -28.411 1.00 0.00 H new ATOM 0 HA ILE A 30 36.501 -13.790 -29.771 1.00 0.00 H new ATOM 0 HB ILE A 30 38.574 -12.580 -29.937 1.00 0.00 H new ATOM 0 HG12 ILE A 30 36.755 -10.138 -29.645 1.00 0.00 H new ATOM 0 HG13 ILE A 30 38.102 -10.569 -28.610 1.00 0.00 H new ATOM 0 HG21 ILE A 30 38.079 -11.551 -32.142 1.00 0.00 H new ATOM 0 HG22 ILE A 30 37.289 -13.133 -31.942 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.340 -11.636 -31.775 1.00 0.00 H new ATOM 0 HD11 ILE A 30 38.734 -8.754 -30.162 1.00 0.00 H new ATOM 0 HD12 ILE A 30 39.684 -10.221 -30.502 1.00 0.00 H new ATOM 0 HD13 ILE A 30 38.315 -9.783 -31.553 1.00 0.00 H new ATOM 470 N ALA A 31 36.898 -14.244 -27.290 1.00 0.00 N ATOM 471 CA ALA A 31 37.229 -14.477 -25.876 1.00 0.00 C ATOM 472 C ALA A 31 38.657 -15.017 -25.709 1.00 0.00 C ATOM 473 O ALA A 31 38.992 -16.063 -26.260 1.00 0.00 O ATOM 474 CB ALA A 31 36.244 -15.434 -25.211 1.00 0.00 C ATOM 0 H ALA A 31 36.584 -15.065 -27.807 1.00 0.00 H new ATOM 0 HA ALA A 31 37.159 -13.507 -25.383 1.00 0.00 H new ATOM 0 HB1 ALA A 31 36.525 -15.579 -24.168 1.00 0.00 H new ATOM 0 HB2 ALA A 31 35.239 -15.015 -25.261 1.00 0.00 H new ATOM 0 HB3 ALA A 31 36.263 -16.393 -25.728 1.00 0.00 H new ATOM 480 N PRO A 32 39.501 -14.400 -24.879 1.00 0.00 N ATOM 481 CA PRO A 32 40.909 -14.810 -24.864 1.00 0.00 C ATOM 482 C PRO A 32 41.154 -15.961 -23.873 1.00 0.00 C ATOM 483 O PRO A 32 40.227 -16.524 -23.289 1.00 0.00 O ATOM 484 CB PRO A 32 41.657 -13.530 -24.462 1.00 0.00 C ATOM 485 CG PRO A 32 40.611 -12.554 -23.917 1.00 0.00 C ATOM 486 CD PRO A 32 39.265 -13.019 -24.459 1.00 0.00 C ATOM 0 HA PRO A 32 41.245 -15.201 -25.824 1.00 0.00 H new ATOM 0 HB2 PRO A 32 42.413 -13.746 -23.707 1.00 0.00 H new ATOM 0 HB3 PRO A 32 42.176 -13.101 -25.319 1.00 0.00 H new ATOM 0 HG2 PRO A 32 40.611 -12.553 -22.827 1.00 0.00 H new ATOM 0 HG3 PRO A 32 40.827 -11.535 -24.237 1.00 0.00 H new ATOM 0 HD2 PRO A 32 38.488 -12.963 -23.696 1.00 0.00 H new ATOM 0 HD3 PRO A 32 38.937 -12.400 -25.294 1.00 0.00 H new ATOM 494 N VAL A 33 42.422 -16.333 -23.706 1.00 0.00 N ATOM 495 CA VAL A 33 42.762 -17.368 -22.682 1.00 0.00 C ATOM 496 C VAL A 33 42.125 -17.112 -21.314 1.00 0.00 C ATOM 497 O VAL A 33 41.523 -18.006 -20.720 1.00 0.00 O ATOM 498 CB VAL A 33 44.277 -17.556 -22.445 1.00 0.00 C ATOM 499 CG1 VAL A 33 44.824 -18.712 -23.280 1.00 0.00 C ATOM 500 CG2 VAL A 33 45.073 -16.270 -22.705 1.00 0.00 C ATOM 0 H VAL A 33 43.214 -15.963 -24.232 1.00 0.00 H new ATOM 0 HA VAL A 33 42.348 -18.273 -23.127 1.00 0.00 H new ATOM 0 HB VAL A 33 44.403 -17.802 -21.391 1.00 0.00 H new ATOM 0 HG11 VAL A 33 45.892 -18.822 -23.094 1.00 0.00 H new ATOM 0 HG12 VAL A 33 44.311 -19.634 -23.005 1.00 0.00 H new ATOM 0 HG13 VAL A 33 44.659 -18.507 -24.338 1.00 0.00 H new ATOM 0 HG21 VAL A 33 46.132 -16.455 -22.524 1.00 0.00 H new ATOM 0 HG22 VAL A 33 44.930 -15.957 -23.739 1.00 0.00 H new ATOM 0 HG23 VAL A 33 44.723 -15.484 -22.036 1.00 0.00 H new ATOM 510 N SER A 34 42.307 -15.913 -20.776 1.00 0.00 N ATOM 511 CA SER A 34 41.718 -15.619 -19.457 1.00 0.00 C ATOM 512 C SER A 34 40.210 -15.887 -19.403 1.00 0.00 C ATOM 513 O SER A 34 39.678 -16.427 -18.426 1.00 0.00 O ATOM 514 CB SER A 34 42.035 -14.201 -18.969 1.00 0.00 C ATOM 515 OG SER A 34 41.485 -13.240 -19.862 1.00 0.00 O ATOM 0 H SER A 34 42.833 -15.151 -21.203 1.00 0.00 H new ATOM 0 HA SER A 34 42.197 -16.318 -18.771 1.00 0.00 H new ATOM 0 HB2 SER A 34 41.628 -14.053 -17.969 1.00 0.00 H new ATOM 0 HB3 SER A 34 43.114 -14.066 -18.897 1.00 0.00 H new ATOM 0 HG SER A 34 41.692 -12.338 -19.540 1.00 0.00 H new ATOM 521 N ASP A 35 39.514 -15.514 -20.473 1.00 0.00 N ATOM 522 CA ASP A 35 38.108 -15.901 -20.575 1.00 0.00 C ATOM 523 C ASP A 35 37.916 -17.430 -20.519 1.00 0.00 C ATOM 524 O ASP A 35 37.076 -17.922 -19.774 1.00 0.00 O ATOM 525 CB ASP A 35 37.409 -15.230 -21.767 1.00 0.00 C ATOM 526 CG ASP A 35 36.983 -13.806 -21.428 1.00 0.00 C ATOM 527 OD1 ASP A 35 37.869 -12.952 -21.205 1.00 0.00 O ATOM 528 OD2 ASP A 35 35.765 -13.532 -21.395 1.00 0.00 O ATOM 0 H ASP A 35 39.879 -14.967 -21.253 1.00 0.00 H new ATOM 0 HA ASP A 35 37.602 -15.517 -19.689 1.00 0.00 H new ATOM 0 HB2 ASP A 35 38.081 -15.217 -22.625 1.00 0.00 H new ATOM 0 HB3 ASP A 35 36.535 -15.815 -22.055 1.00 0.00 H new ATOM 533 N THR A 36 38.756 -18.200 -21.222 1.00 0.00 N ATOM 534 CA THR A 36 38.695 -19.665 -21.086 1.00 0.00 C ATOM 535 C THR A 36 38.907 -20.160 -19.640 1.00 0.00 C ATOM 536 O THR A 36 38.350 -21.179 -19.230 1.00 0.00 O ATOM 537 CB THR A 36 39.663 -20.353 -22.070 1.00 0.00 C ATOM 538 OG1 THR A 36 39.389 -19.901 -23.389 1.00 0.00 O ATOM 539 CG2 THR A 36 39.517 -21.875 -22.043 1.00 0.00 C ATOM 0 H THR A 36 39.463 -17.852 -21.869 1.00 0.00 H new ATOM 0 HA THR A 36 37.677 -19.953 -21.347 1.00 0.00 H new ATOM 0 HB THR A 36 40.678 -20.097 -21.768 1.00 0.00 H new ATOM 0 HG1 THR A 36 39.888 -20.446 -24.032 1.00 0.00 H new ATOM 0 HG21 THR A 36 40.217 -22.320 -22.750 1.00 0.00 H new ATOM 0 HG22 THR A 36 39.732 -22.243 -21.040 1.00 0.00 H new ATOM 0 HG23 THR A 36 38.499 -22.148 -22.320 1.00 0.00 H new ATOM 547 N MET A 37 39.703 -19.433 -18.853 1.00 0.00 N ATOM 548 CA MET A 37 39.885 -19.824 -17.448 1.00 0.00 C ATOM 549 C MET A 37 38.609 -19.631 -16.634 1.00 0.00 C ATOM 550 O MET A 37 38.111 -20.564 -15.998 1.00 0.00 O ATOM 551 CB MET A 37 41.042 -19.093 -16.745 1.00 0.00 C ATOM 552 CG MET A 37 42.348 -19.136 -17.538 1.00 0.00 C ATOM 553 SD MET A 37 42.809 -20.843 -17.872 1.00 0.00 S ATOM 554 CE MET A 37 42.546 -20.854 -19.649 1.00 0.00 C ATOM 0 H MET A 37 40.215 -18.601 -19.146 1.00 0.00 H new ATOM 0 HA MET A 37 40.139 -20.883 -17.490 1.00 0.00 H new ATOM 0 HB2 MET A 37 40.759 -18.054 -16.578 1.00 0.00 H new ATOM 0 HB3 MET A 37 41.204 -19.541 -15.764 1.00 0.00 H new ATOM 0 HG2 MET A 37 42.232 -18.592 -18.475 1.00 0.00 H new ATOM 0 HG3 MET A 37 43.140 -18.640 -16.977 1.00 0.00 H new ATOM 0 HE1 MET A 37 43.218 -21.576 -20.112 1.00 0.00 H new ATOM 0 HE2 MET A 37 41.513 -21.131 -19.862 1.00 0.00 H new ATOM 0 HE3 MET A 37 42.746 -19.862 -20.053 1.00 0.00 H new ATOM 564 N ASP A 38 38.078 -18.409 -16.635 1.00 0.00 N ATOM 565 CA ASP A 38 36.762 -18.206 -16.004 1.00 0.00 C ATOM 566 C ASP A 38 35.692 -19.134 -16.589 1.00 0.00 C ATOM 567 O ASP A 38 34.856 -19.683 -15.872 1.00 0.00 O ATOM 568 CB ASP A 38 36.261 -16.769 -16.081 1.00 0.00 C ATOM 569 CG ASP A 38 37.065 -15.818 -15.207 1.00 0.00 C ATOM 570 OD1 ASP A 38 38.245 -15.554 -15.519 1.00 0.00 O ATOM 571 OD2 ASP A 38 36.505 -15.319 -14.206 1.00 0.00 O ATOM 0 H ASP A 38 38.507 -17.578 -17.042 1.00 0.00 H new ATOM 0 HA ASP A 38 36.925 -18.450 -14.954 1.00 0.00 H new ATOM 0 HB2 ASP A 38 36.304 -16.429 -17.116 1.00 0.00 H new ATOM 0 HB3 ASP A 38 35.214 -16.737 -15.778 1.00 0.00 H new ATOM 576 N MET A 39 35.724 -19.314 -17.905 1.00 0.00 N ATOM 577 CA MET A 39 34.762 -20.197 -18.546 1.00 0.00 C ATOM 578 C MET A 39 34.776 -21.621 -17.991 1.00 0.00 C ATOM 579 O MET A 39 33.831 -22.062 -17.338 1.00 0.00 O ATOM 580 CB MET A 39 34.992 -20.262 -20.055 1.00 0.00 C ATOM 581 CG MET A 39 34.695 -18.949 -20.785 1.00 0.00 C ATOM 582 SD MET A 39 35.772 -18.820 -22.226 1.00 0.00 S ATOM 583 CE MET A 39 34.714 -17.864 -23.326 1.00 0.00 C ATOM 0 H MET A 39 36.391 -18.870 -18.536 1.00 0.00 H new ATOM 0 HA MET A 39 33.787 -19.761 -18.328 1.00 0.00 H new ATOM 0 HB2 MET A 39 36.028 -20.545 -20.243 1.00 0.00 H new ATOM 0 HB3 MET A 39 34.366 -21.049 -20.475 1.00 0.00 H new ATOM 0 HG2 MET A 39 33.650 -18.918 -21.092 1.00 0.00 H new ATOM 0 HG3 MET A 39 34.857 -18.103 -20.118 1.00 0.00 H new ATOM 0 HE1 MET A 39 34.959 -18.099 -24.362 1.00 0.00 H new ATOM 0 HE2 MET A 39 33.670 -18.113 -23.134 1.00 0.00 H new ATOM 0 HE3 MET A 39 34.872 -16.800 -23.149 1.00 0.00 H new ATOM 593 N LEU A 40 35.855 -22.353 -18.242 1.00 0.00 N ATOM 594 CA LEU A 40 35.877 -23.749 -17.790 1.00 0.00 C ATOM 595 C LEU A 40 35.880 -23.921 -16.257 1.00 0.00 C ATOM 596 O LEU A 40 35.440 -24.950 -15.747 1.00 0.00 O ATOM 597 CB LEU A 40 36.973 -24.586 -18.497 1.00 0.00 C ATOM 598 CG LEU A 40 36.610 -25.121 -19.914 1.00 0.00 C ATOM 599 CD1 LEU A 40 35.105 -25.301 -20.129 1.00 0.00 C ATOM 600 CD2 LEU A 40 37.230 -24.275 -21.027 1.00 0.00 C ATOM 0 H LEU A 40 36.690 -22.030 -18.731 1.00 0.00 H new ATOM 0 HA LEU A 40 34.919 -24.162 -18.107 1.00 0.00 H new ATOM 0 HB2 LEU A 40 37.873 -23.976 -18.579 1.00 0.00 H new ATOM 0 HB3 LEU A 40 37.221 -25.436 -17.861 1.00 0.00 H new ATOM 0 HG LEU A 40 37.050 -26.117 -19.967 1.00 0.00 H new ATOM 0 HD11 LEU A 40 34.924 -25.676 -21.136 1.00 0.00 H new ATOM 0 HD12 LEU A 40 34.716 -26.013 -19.401 1.00 0.00 H new ATOM 0 HD13 LEU A 40 34.602 -24.342 -20.003 1.00 0.00 H new ATOM 0 HD21 LEU A 40 36.949 -24.687 -21.996 1.00 0.00 H new ATOM 0 HD22 LEU A 40 36.868 -23.250 -20.949 1.00 0.00 H new ATOM 0 HD23 LEU A 40 38.316 -24.285 -20.930 1.00 0.00 H new ATOM 612 N THR A 41 36.306 -22.906 -15.504 1.00 0.00 N ATOM 613 CA THR A 41 36.211 -23.026 -14.043 1.00 0.00 C ATOM 614 C THR A 41 34.766 -22.888 -13.527 1.00 0.00 C ATOM 615 O THR A 41 34.266 -23.752 -12.805 1.00 0.00 O ATOM 616 CB THR A 41 37.144 -22.040 -13.313 1.00 0.00 C ATOM 617 OG1 THR A 41 38.422 -22.046 -13.936 1.00 0.00 O ATOM 618 CG2 THR A 41 37.315 -22.421 -11.840 1.00 0.00 C ATOM 0 H THR A 41 36.701 -22.033 -15.854 1.00 0.00 H new ATOM 0 HA THR A 41 36.545 -24.037 -13.811 1.00 0.00 H new ATOM 0 HB THR A 41 36.694 -21.049 -13.369 1.00 0.00 H new ATOM 0 HG1 THR A 41 38.508 -21.259 -14.513 1.00 0.00 H new ATOM 0 HG21 THR A 41 37.979 -21.706 -11.354 1.00 0.00 H new ATOM 0 HG22 THR A 41 36.344 -22.409 -11.346 1.00 0.00 H new ATOM 0 HG23 THR A 41 37.745 -23.420 -11.770 1.00 0.00 H new ATOM 626 N LYS A 42 34.082 -21.804 -13.896 1.00 0.00 N ATOM 627 CA LYS A 42 32.748 -21.567 -13.323 1.00 0.00 C ATOM 628 C LYS A 42 31.545 -22.055 -14.152 1.00 0.00 C ATOM 629 O LYS A 42 30.476 -22.311 -13.598 1.00 0.00 O ATOM 630 CB LYS A 42 32.573 -20.127 -12.813 1.00 0.00 C ATOM 631 CG LYS A 42 32.392 -19.105 -13.944 1.00 0.00 C ATOM 632 CD LYS A 42 33.112 -17.796 -13.599 1.00 0.00 C ATOM 633 CE LYS A 42 32.764 -16.694 -14.600 1.00 0.00 C ATOM 634 NZ LYS A 42 33.538 -15.476 -14.289 1.00 0.00 N ATOM 0 H LYS A 42 34.407 -21.101 -14.560 1.00 0.00 H new ATOM 0 HA LYS A 42 32.731 -22.232 -12.459 1.00 0.00 H new ATOM 0 HB2 LYS A 42 31.708 -20.085 -12.152 1.00 0.00 H new ATOM 0 HB3 LYS A 42 33.443 -19.851 -12.218 1.00 0.00 H new ATOM 0 HG2 LYS A 42 32.786 -19.510 -14.876 1.00 0.00 H new ATOM 0 HG3 LYS A 42 31.331 -18.913 -14.104 1.00 0.00 H new ATOM 0 HD2 LYS A 42 32.834 -17.479 -12.594 1.00 0.00 H new ATOM 0 HD3 LYS A 42 34.190 -17.961 -13.595 1.00 0.00 H new ATOM 0 HE2 LYS A 42 32.985 -17.028 -15.614 1.00 0.00 H new ATOM 0 HE3 LYS A 42 31.696 -16.478 -14.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 33.514 -14.831 -15.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 33.123 -15.003 -13.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 34.524 -15.735 -14.081 1.00 0.00 H new ATOM 648 N LEU A 43 31.676 -22.169 -15.473 1.00 0.00 N ATOM 649 CA LEU A 43 30.551 -22.696 -16.241 1.00 0.00 C ATOM 650 C LEU A 43 30.342 -24.204 -15.989 1.00 0.00 C ATOM 651 O LEU A 43 29.219 -24.706 -16.045 1.00 0.00 O ATOM 652 CB LEU A 43 30.646 -22.258 -17.722 1.00 0.00 C ATOM 653 CG LEU A 43 30.165 -23.298 -18.748 1.00 0.00 C ATOM 654 CD1 LEU A 43 28.942 -22.795 -19.514 1.00 0.00 C ATOM 655 CD2 LEU A 43 31.269 -23.605 -19.753 1.00 0.00 C ATOM 0 H LEU A 43 32.505 -21.918 -16.011 1.00 0.00 H new ATOM 0 HA LEU A 43 29.622 -22.251 -15.883 1.00 0.00 H new ATOM 0 HB2 LEU A 43 30.062 -21.347 -17.852 1.00 0.00 H new ATOM 0 HB3 LEU A 43 31.683 -22.006 -17.943 1.00 0.00 H new ATOM 0 HG LEU A 43 29.900 -24.199 -18.195 1.00 0.00 H new ATOM 0 HD11 LEU A 43 28.626 -23.552 -20.232 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.130 -22.597 -18.814 1.00 0.00 H new ATOM 0 HD13 LEU A 43 29.197 -21.877 -20.044 1.00 0.00 H new ATOM 0 HD21 LEU A 43 30.912 -24.343 -20.472 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.547 -22.691 -20.278 1.00 0.00 H new ATOM 0 HD23 LEU A 43 32.139 -24.001 -19.229 1.00 0.00 H new ATOM 667 N GLY A 44 31.420 -24.933 -15.689 1.00 0.00 N ATOM 668 CA GLY A 44 31.249 -26.357 -15.391 1.00 0.00 C ATOM 669 C GLY A 44 32.329 -26.800 -14.417 1.00 0.00 C ATOM 670 O GLY A 44 32.172 -26.710 -13.199 1.00 0.00 O ATOM 0 H GLY A 44 32.377 -24.583 -15.646 1.00 0.00 H new ATOM 0 HA2 GLY A 44 30.262 -26.535 -14.963 1.00 0.00 H new ATOM 0 HA3 GLY A 44 31.309 -26.942 -16.309 1.00 0.00 H new ATOM 674 N GLN A 45 33.438 -27.283 -14.960 1.00 0.00 N ATOM 675 CA GLN A 45 34.544 -27.680 -14.079 1.00 0.00 C ATOM 676 C GLN A 45 35.838 -27.900 -14.866 1.00 0.00 C ATOM 677 O GLN A 45 36.774 -27.104 -14.788 1.00 0.00 O ATOM 678 CB GLN A 45 34.224 -28.896 -13.189 1.00 0.00 C ATOM 679 CG GLN A 45 35.232 -29.021 -12.036 1.00 0.00 C ATOM 680 CD GLN A 45 35.048 -30.334 -11.283 1.00 0.00 C ATOM 681 OE1 GLN A 45 33.987 -30.623 -10.733 1.00 0.00 O ATOM 682 NE2 GLN A 45 36.089 -31.143 -11.239 1.00 0.00 N ATOM 0 H GLN A 45 33.600 -27.409 -15.959 1.00 0.00 H new ATOM 0 HA GLN A 45 34.690 -26.840 -13.399 1.00 0.00 H new ATOM 0 HB2 GLN A 45 33.216 -28.800 -12.786 1.00 0.00 H new ATOM 0 HB3 GLN A 45 34.241 -29.805 -13.791 1.00 0.00 H new ATOM 0 HG2 GLN A 45 36.247 -28.963 -12.429 1.00 0.00 H new ATOM 0 HG3 GLN A 45 35.108 -28.184 -11.349 1.00 0.00 H new ATOM 0 HE21 GLN A 45 36.959 -30.881 -11.703 1.00 0.00 H new ATOM 0 HE22 GLN A 45 36.024 -32.031 -10.741 1.00 0.00 H new ATOM 691 N THR A 46 35.897 -28.980 -15.640 1.00 0.00 N ATOM 692 CA THR A 46 37.135 -29.304 -16.345 1.00 0.00 C ATOM 693 C THR A 46 36.859 -30.290 -17.543 1.00 0.00 C ATOM 694 O THR A 46 35.697 -30.600 -17.808 1.00 0.00 O ATOM 695 CB THR A 46 38.152 -29.968 -15.390 1.00 0.00 C ATOM 696 OG1 THR A 46 37.453 -30.676 -14.375 1.00 0.00 O ATOM 697 CG2 THR A 46 39.049 -28.926 -14.726 1.00 0.00 C ATOM 0 H THR A 46 35.126 -29.630 -15.793 1.00 0.00 H new ATOM 0 HA THR A 46 37.544 -28.369 -16.727 1.00 0.00 H new ATOM 0 HB THR A 46 38.773 -30.646 -15.976 1.00 0.00 H new ATOM 0 HG1 THR A 46 38.096 -31.099 -13.769 1.00 0.00 H new ATOM 0 HG21 THR A 46 39.754 -29.424 -14.060 1.00 0.00 H new ATOM 0 HG22 THR A 46 39.598 -28.378 -15.491 1.00 0.00 H new ATOM 0 HG23 THR A 46 38.436 -28.231 -14.152 1.00 0.00 H new ATOM 705 N TYR A 47 37.871 -30.809 -18.286 1.00 0.00 N ATOM 706 CA TYR A 47 37.575 -32.005 -19.092 1.00 0.00 C ATOM 707 C TYR A 47 38.454 -33.195 -18.640 1.00 0.00 C ATOM 708 O TYR A 47 38.458 -33.556 -17.463 1.00 0.00 O ATOM 709 CB TYR A 47 37.657 -31.730 -20.601 1.00 0.00 C ATOM 710 CG TYR A 47 36.412 -31.047 -21.150 1.00 0.00 C ATOM 711 CD1 TYR A 47 36.312 -29.694 -21.093 1.00 0.00 C ATOM 712 CD2 TYR A 47 35.528 -31.749 -21.904 1.00 0.00 C ATOM 713 CE1 TYR A 47 35.149 -29.096 -21.473 1.00 0.00 C ATOM 714 CE2 TYR A 47 34.361 -31.157 -22.281 1.00 0.00 C ATOM 715 CZ TYR A 47 34.171 -29.833 -22.052 1.00 0.00 C ATOM 716 OH TYR A 47 33.013 -29.227 -22.466 1.00 0.00 O ATOM 0 H TYR A 47 38.824 -30.449 -18.341 1.00 0.00 H new ATOM 0 HA TYR A 47 36.537 -32.285 -18.912 1.00 0.00 H new ATOM 0 HB2 TYR A 47 38.527 -31.105 -20.804 1.00 0.00 H new ATOM 0 HB3 TYR A 47 37.811 -32.671 -21.128 1.00 0.00 H new ATOM 0 HD1 TYR A 47 37.145 -29.099 -20.750 1.00 0.00 H new ATOM 0 HD2 TYR A 47 35.747 -32.764 -22.201 1.00 0.00 H new ATOM 0 HE1 TYR A 47 35.007 -28.037 -21.313 1.00 0.00 H new ATOM 0 HE2 TYR A 47 33.589 -31.740 -22.761 1.00 0.00 H new ATOM 0 HH TYR A 47 32.639 -29.720 -23.226 1.00 0.00 H new ATOM 726 N THR A 48 39.198 -33.819 -19.558 1.00 0.00 N ATOM 727 CA THR A 48 40.052 -34.948 -19.153 1.00 0.00 C ATOM 728 C THR A 48 41.328 -35.027 -20.001 1.00 0.00 C ATOM 729 O THR A 48 41.312 -34.807 -21.213 1.00 0.00 O ATOM 730 CB THR A 48 39.332 -36.311 -19.196 1.00 0.00 C ATOM 731 OG1 THR A 48 38.656 -36.452 -20.437 1.00 0.00 O ATOM 732 CG2 THR A 48 38.318 -36.450 -18.059 1.00 0.00 C ATOM 0 H THR A 48 39.231 -33.578 -20.549 1.00 0.00 H new ATOM 0 HA THR A 48 40.313 -34.743 -18.115 1.00 0.00 H new ATOM 0 HB THR A 48 40.086 -37.090 -19.081 1.00 0.00 H new ATOM 0 HG1 THR A 48 38.200 -37.319 -20.464 1.00 0.00 H new ATOM 0 HG21 THR A 48 37.831 -37.423 -18.123 1.00 0.00 H new ATOM 0 HG22 THR A 48 38.831 -36.363 -17.101 1.00 0.00 H new ATOM 0 HG23 THR A 48 37.568 -35.663 -18.142 1.00 0.00 H new ATOM 740 N LYS A 49 42.445 -35.356 -19.354 1.00 0.00 N ATOM 741 CA LYS A 49 43.707 -35.525 -20.102 1.00 0.00 C ATOM 742 C LYS A 49 44.359 -34.193 -20.529 1.00 0.00 C ATOM 743 O LYS A 49 43.906 -33.104 -20.174 1.00 0.00 O ATOM 744 CB LYS A 49 43.584 -36.526 -21.272 1.00 0.00 C ATOM 745 CG LYS A 49 44.853 -37.379 -21.442 1.00 0.00 C ATOM 746 CD LYS A 49 45.256 -37.505 -22.913 1.00 0.00 C ATOM 747 CE LYS A 49 44.324 -38.456 -23.667 1.00 0.00 C ATOM 748 NZ LYS A 49 44.813 -38.637 -25.045 1.00 0.00 N ATOM 0 H LYS A 49 42.512 -35.508 -18.348 1.00 0.00 H new ATOM 0 HA LYS A 49 44.399 -35.971 -19.388 1.00 0.00 H new ATOM 0 HB2 LYS A 49 42.729 -37.180 -21.100 1.00 0.00 H new ATOM 0 HB3 LYS A 49 43.388 -35.981 -22.195 1.00 0.00 H new ATOM 0 HG2 LYS A 49 45.671 -36.931 -20.877 1.00 0.00 H new ATOM 0 HG3 LYS A 49 44.683 -38.372 -21.025 1.00 0.00 H new ATOM 0 HD2 LYS A 49 45.234 -36.522 -23.384 1.00 0.00 H new ATOM 0 HD3 LYS A 49 46.282 -37.868 -22.981 1.00 0.00 H new ATOM 0 HE2 LYS A 49 44.279 -39.418 -23.157 1.00 0.00 H new ATOM 0 HE3 LYS A 49 43.311 -38.054 -23.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 44.008 -38.821 -25.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 45.306 -37.775 -25.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 45.470 -39.443 -25.077 1.00 0.00 H new ATOM 762 N ARG A 50 45.451 -34.288 -21.286 1.00 0.00 N ATOM 763 CA ARG A 50 46.178 -33.068 -21.674 1.00 0.00 C ATOM 764 C ARG A 50 45.658 -32.373 -22.950 1.00 0.00 C ATOM 765 O ARG A 50 46.047 -31.245 -23.261 1.00 0.00 O ATOM 766 CB ARG A 50 47.682 -33.354 -21.819 1.00 0.00 C ATOM 767 CG ARG A 50 48.541 -32.131 -21.463 1.00 0.00 C ATOM 768 CD ARG A 50 49.320 -32.362 -20.165 1.00 0.00 C ATOM 769 NE ARG A 50 49.685 -31.070 -19.572 1.00 0.00 N ATOM 770 CZ ARG A 50 50.255 -31.051 -18.376 1.00 0.00 C ATOM 771 NH1 ARG A 50 51.178 -31.938 -18.058 1.00 0.00 N ATOM 772 NH2 ARG A 50 49.918 -30.121 -17.510 1.00 0.00 N ATOM 0 H ARG A 50 45.846 -35.161 -21.635 1.00 0.00 H new ATOM 0 HA ARG A 50 45.995 -32.368 -20.859 1.00 0.00 H new ATOM 0 HB2 ARG A 50 47.956 -34.189 -21.173 1.00 0.00 H new ATOM 0 HB3 ARG A 50 47.895 -33.660 -22.843 1.00 0.00 H new ATOM 0 HG2 ARG A 50 49.237 -31.923 -22.276 1.00 0.00 H new ATOM 0 HG3 ARG A 50 47.903 -31.254 -21.356 1.00 0.00 H new ATOM 0 HD2 ARG A 50 48.715 -32.937 -19.464 1.00 0.00 H new ATOM 0 HD3 ARG A 50 50.217 -32.947 -20.367 1.00 0.00 H new ATOM 0 HE ARG A 50 49.503 -30.200 -20.073 1.00 0.00 H new ATOM 0 HH11 ARG A 50 51.459 -32.647 -18.735 1.00 0.00 H new ATOM 0 HH12 ARG A 50 51.611 -31.915 -17.135 1.00 0.00 H new ATOM 0 HH21 ARG A 50 49.221 -29.419 -17.760 1.00 0.00 H new ATOM 0 HH22 ARG A 50 50.353 -30.101 -16.588 1.00 0.00 H new ATOM 786 N GLU A 51 44.769 -33.023 -23.694 1.00 0.00 N ATOM 787 CA GLU A 51 44.298 -32.404 -24.942 1.00 0.00 C ATOM 788 C GLU A 51 43.156 -31.392 -24.723 1.00 0.00 C ATOM 789 O GLU A 51 43.001 -30.418 -25.463 1.00 0.00 O ATOM 790 CB GLU A 51 44.004 -33.439 -26.034 1.00 0.00 C ATOM 791 CG GLU A 51 45.295 -34.022 -26.631 1.00 0.00 C ATOM 792 CD GLU A 51 45.766 -35.248 -25.865 1.00 0.00 C ATOM 793 OE1 GLU A 51 45.310 -36.368 -26.184 1.00 0.00 O ATOM 794 OE2 GLU A 51 46.597 -35.103 -24.942 1.00 0.00 O ATOM 0 H GLU A 51 44.371 -33.936 -23.475 1.00 0.00 H new ATOM 0 HA GLU A 51 45.129 -31.808 -25.320 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.400 -34.245 -25.618 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.415 -32.975 -26.825 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.126 -34.288 -27.674 1.00 0.00 H new ATOM 0 HG3 GLU A 51 46.077 -33.263 -26.618 1.00 0.00 H new ATOM 801 N THR A 52 42.341 -31.579 -23.694 1.00 0.00 N ATOM 802 CA THR A 52 41.469 -30.469 -23.300 1.00 0.00 C ATOM 803 C THR A 52 42.301 -29.297 -22.728 1.00 0.00 C ATOM 804 O THR A 52 41.962 -28.122 -22.867 1.00 0.00 O ATOM 805 CB THR A 52 40.299 -30.852 -22.390 1.00 0.00 C ATOM 806 OG1 THR A 52 40.462 -32.181 -21.921 1.00 0.00 O ATOM 807 CG2 THR A 52 38.954 -30.779 -23.132 1.00 0.00 C ATOM 0 H THR A 52 42.261 -32.433 -23.142 1.00 0.00 H new ATOM 0 HA THR A 52 40.982 -30.139 -24.218 1.00 0.00 H new ATOM 0 HB THR A 52 40.294 -30.143 -21.562 1.00 0.00 H new ATOM 0 HG1 THR A 52 39.790 -32.760 -22.338 1.00 0.00 H new ATOM 0 HG21 THR A 52 38.148 -31.058 -22.453 1.00 0.00 H new ATOM 0 HG22 THR A 52 38.791 -29.763 -23.491 1.00 0.00 H new ATOM 0 HG23 THR A 52 38.968 -31.465 -23.979 1.00 0.00 H new ATOM 815 N GLU A 53 43.424 -29.620 -22.091 1.00 0.00 N ATOM 816 CA GLU A 53 44.442 -28.580 -21.854 1.00 0.00 C ATOM 817 C GLU A 53 44.816 -27.864 -23.165 1.00 0.00 C ATOM 818 O GLU A 53 45.100 -26.667 -23.192 1.00 0.00 O ATOM 819 CB GLU A 53 45.719 -29.130 -21.203 1.00 0.00 C ATOM 820 CG GLU A 53 45.982 -28.490 -19.832 1.00 0.00 C ATOM 821 CD GLU A 53 47.368 -28.839 -19.312 1.00 0.00 C ATOM 822 OE1 GLU A 53 48.338 -28.809 -20.103 1.00 0.00 O ATOM 823 OE2 GLU A 53 47.499 -29.143 -18.108 1.00 0.00 O ATOM 0 H GLU A 53 43.654 -30.550 -21.740 1.00 0.00 H new ATOM 0 HA GLU A 53 43.988 -27.873 -21.159 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.632 -30.211 -21.089 1.00 0.00 H new ATOM 0 HB3 GLU A 53 46.570 -28.946 -21.859 1.00 0.00 H new ATOM 0 HG2 GLU A 53 45.883 -27.407 -19.909 1.00 0.00 H new ATOM 0 HG3 GLU A 53 45.229 -28.829 -19.120 1.00 0.00 H new ATOM 830 N ALA A 54 44.865 -28.635 -24.254 1.00 0.00 N ATOM 831 CA ALA A 54 44.951 -28.017 -25.593 1.00 0.00 C ATOM 832 C ALA A 54 43.871 -26.968 -25.811 1.00 0.00 C ATOM 833 O ALA A 54 44.152 -25.877 -26.296 1.00 0.00 O ATOM 834 CB ALA A 54 44.845 -29.004 -26.757 1.00 0.00 C ATOM 0 H ALA A 54 44.848 -29.655 -24.247 1.00 0.00 H new ATOM 0 HA ALA A 54 45.946 -27.573 -25.596 1.00 0.00 H new ATOM 0 HB1 ALA A 54 44.918 -28.463 -27.700 1.00 0.00 H new ATOM 0 HB2 ALA A 54 45.654 -29.731 -26.692 1.00 0.00 H new ATOM 0 HB3 ALA A 54 43.887 -29.522 -26.709 1.00 0.00 H new ATOM 840 N ILE A 55 42.614 -27.308 -25.497 1.00 0.00 N ATOM 841 CA ILE A 55 41.568 -26.248 -25.476 1.00 0.00 C ATOM 842 C ILE A 55 42.126 -24.965 -24.829 1.00 0.00 C ATOM 843 O ILE A 55 42.212 -23.892 -25.435 1.00 0.00 O ATOM 844 CB ILE A 55 40.298 -26.531 -24.620 1.00 0.00 C ATOM 845 CG1 ILE A 55 39.483 -27.753 -24.960 1.00 0.00 C ATOM 846 CG2 ILE A 55 39.367 -25.320 -24.639 1.00 0.00 C ATOM 847 CD1 ILE A 55 38.439 -28.031 -23.886 1.00 0.00 C ATOM 0 H ILE A 55 42.297 -28.249 -25.265 1.00 0.00 H new ATOM 0 HA ILE A 55 41.294 -26.181 -26.529 1.00 0.00 H new ATOM 0 HB ILE A 55 40.717 -26.736 -23.635 1.00 0.00 H new ATOM 0 HG12 ILE A 55 38.991 -27.610 -25.922 1.00 0.00 H new ATOM 0 HG13 ILE A 55 40.141 -28.616 -25.064 1.00 0.00 H new ATOM 0 HG21 ILE A 55 38.483 -25.531 -24.037 1.00 0.00 H new ATOM 0 HG22 ILE A 55 39.887 -24.455 -24.229 1.00 0.00 H new ATOM 0 HG23 ILE A 55 39.065 -25.109 -25.665 1.00 0.00 H new ATOM 0 HD11 ILE A 55 37.866 -28.918 -24.157 1.00 0.00 H new ATOM 0 HD12 ILE A 55 38.936 -28.198 -22.930 1.00 0.00 H new ATOM 0 HD13 ILE A 55 37.768 -27.177 -23.801 1.00 0.00 H new ATOM 859 N MET A 56 42.538 -25.131 -23.576 1.00 0.00 N ATOM 860 CA MET A 56 42.945 -23.980 -22.769 1.00 0.00 C ATOM 861 C MET A 56 44.166 -23.221 -23.299 1.00 0.00 C ATOM 862 O MET A 56 44.226 -21.993 -23.261 1.00 0.00 O ATOM 863 CB MET A 56 43.136 -24.431 -21.316 1.00 0.00 C ATOM 864 CG MET A 56 41.831 -25.005 -20.744 1.00 0.00 C ATOM 865 SD MET A 56 42.062 -26.731 -20.257 1.00 0.00 S ATOM 866 CE MET A 56 40.358 -27.338 -20.366 1.00 0.00 C ATOM 0 H MET A 56 42.599 -26.032 -23.102 1.00 0.00 H new ATOM 0 HA MET A 56 42.140 -23.248 -22.832 1.00 0.00 H new ATOM 0 HB2 MET A 56 43.922 -25.184 -21.265 1.00 0.00 H new ATOM 0 HB3 MET A 56 43.463 -23.587 -20.709 1.00 0.00 H new ATOM 0 HG2 MET A 56 41.514 -24.417 -19.883 1.00 0.00 H new ATOM 0 HG3 MET A 56 41.038 -24.933 -21.488 1.00 0.00 H new ATOM 0 HE1 MET A 56 40.344 -28.415 -20.199 1.00 0.00 H new ATOM 0 HE2 MET A 56 39.747 -26.846 -19.609 1.00 0.00 H new ATOM 0 HE3 MET A 56 39.956 -27.119 -21.355 1.00 0.00 H new ATOM 876 N LYS A 57 45.141 -23.958 -23.805 1.00 0.00 N ATOM 877 CA LYS A 57 46.341 -23.299 -24.342 1.00 0.00 C ATOM 878 C LYS A 57 46.166 -22.776 -25.777 1.00 0.00 C ATOM 879 O LYS A 57 46.634 -21.690 -26.123 1.00 0.00 O ATOM 880 CB LYS A 57 47.579 -24.200 -24.262 1.00 0.00 C ATOM 881 CG LYS A 57 48.021 -24.411 -22.808 1.00 0.00 C ATOM 882 CD LYS A 57 49.046 -25.542 -22.696 1.00 0.00 C ATOM 883 CE LYS A 57 48.388 -26.906 -22.923 1.00 0.00 C ATOM 884 NZ LYS A 57 49.278 -27.977 -22.442 1.00 0.00 N ATOM 0 H LYS A 57 45.138 -24.977 -23.860 1.00 0.00 H new ATOM 0 HA LYS A 57 46.494 -22.432 -23.699 1.00 0.00 H new ATOM 0 HB2 LYS A 57 47.360 -25.164 -24.722 1.00 0.00 H new ATOM 0 HB3 LYS A 57 48.394 -23.753 -24.831 1.00 0.00 H new ATOM 0 HG2 LYS A 57 48.451 -23.488 -22.419 1.00 0.00 H new ATOM 0 HG3 LYS A 57 47.152 -24.642 -22.192 1.00 0.00 H new ATOM 0 HD2 LYS A 57 49.840 -25.391 -23.428 1.00 0.00 H new ATOM 0 HD3 LYS A 57 49.512 -25.519 -21.711 1.00 0.00 H new ATOM 0 HE2 LYS A 57 47.434 -26.951 -22.399 1.00 0.00 H new ATOM 0 HE3 LYS A 57 48.176 -27.046 -23.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 49.394 -28.693 -23.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 50.206 -27.575 -22.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 48.863 -28.421 -21.598 1.00 0.00 H new ATOM 898 N GLU A 58 45.505 -23.558 -26.626 1.00 0.00 N ATOM 899 CA GLU A 58 45.306 -23.116 -28.019 1.00 0.00 C ATOM 900 C GLU A 58 44.375 -21.899 -28.175 1.00 0.00 C ATOM 901 O GLU A 58 44.466 -21.157 -29.153 1.00 0.00 O ATOM 902 CB GLU A 58 44.886 -24.270 -28.945 1.00 0.00 C ATOM 903 CG GLU A 58 43.376 -24.552 -28.886 1.00 0.00 C ATOM 904 CD GLU A 58 43.038 -25.891 -29.524 1.00 0.00 C ATOM 905 OE1 GLU A 58 43.439 -26.125 -30.684 1.00 0.00 O ATOM 906 OE2 GLU A 58 42.359 -26.713 -28.872 1.00 0.00 O ATOM 0 H GLU A 58 45.108 -24.469 -26.395 1.00 0.00 H new ATOM 0 HA GLU A 58 46.290 -22.772 -28.338 1.00 0.00 H new ATOM 0 HB2 GLU A 58 45.168 -24.030 -29.970 1.00 0.00 H new ATOM 0 HB3 GLU A 58 45.432 -25.172 -28.667 1.00 0.00 H new ATOM 0 HG2 GLU A 58 43.043 -24.547 -27.848 1.00 0.00 H new ATOM 0 HG3 GLU A 58 42.835 -23.756 -29.398 1.00 0.00 H new ATOM 913 N ALA A 59 43.457 -21.709 -27.223 1.00 0.00 N ATOM 914 CA ALA A 59 42.594 -20.522 -27.278 1.00 0.00 C ATOM 915 C ALA A 59 43.365 -19.228 -27.562 1.00 0.00 C ATOM 916 O ALA A 59 43.077 -18.505 -28.516 1.00 0.00 O ATOM 917 CB ALA A 59 41.745 -20.384 -26.014 1.00 0.00 C ATOM 0 H ALA A 59 43.294 -22.334 -26.433 1.00 0.00 H new ATOM 0 HA ALA A 59 41.926 -20.679 -28.125 1.00 0.00 H new ATOM 0 HB1 ALA A 59 41.120 -19.495 -26.091 1.00 0.00 H new ATOM 0 HB2 ALA A 59 41.112 -21.264 -25.903 1.00 0.00 H new ATOM 0 HB3 ALA A 59 42.397 -20.295 -25.145 1.00 0.00 H new ATOM 923 N ARG A 60 44.340 -18.926 -26.714 1.00 0.00 N ATOM 924 CA ARG A 60 45.277 -17.832 -27.076 1.00 0.00 C ATOM 925 C ARG A 60 46.028 -18.146 -28.381 1.00 0.00 C ATOM 926 O ARG A 60 45.530 -17.863 -29.468 1.00 0.00 O ATOM 927 CB ARG A 60 46.232 -17.436 -25.936 1.00 0.00 C ATOM 928 CG ARG A 60 47.183 -16.294 -26.346 1.00 0.00 C ATOM 929 CD ARG A 60 47.063 -15.081 -25.419 1.00 0.00 C ATOM 930 NE ARG A 60 45.842 -14.324 -25.734 1.00 0.00 N ATOM 931 CZ ARG A 60 45.745 -13.049 -25.372 1.00 0.00 C ATOM 932 NH1 ARG A 60 46.521 -12.550 -24.427 1.00 0.00 N ATOM 933 NH2 ARG A 60 44.851 -12.278 -25.953 1.00 0.00 N ATOM 0 H ARG A 60 44.511 -19.383 -25.818 1.00 0.00 H new ATOM 0 HA ARG A 60 44.660 -16.950 -27.251 1.00 0.00 H new ATOM 0 HB2 ARG A 60 45.650 -17.128 -25.067 1.00 0.00 H new ATOM 0 HB3 ARG A 60 46.818 -18.305 -25.636 1.00 0.00 H new ATOM 0 HG2 ARG A 60 48.211 -16.657 -26.335 1.00 0.00 H new ATOM 0 HG3 ARG A 60 46.963 -15.990 -27.370 1.00 0.00 H new ATOM 0 HD2 ARG A 60 47.039 -15.409 -24.380 1.00 0.00 H new ATOM 0 HD3 ARG A 60 47.937 -14.440 -25.531 1.00 0.00 H new ATOM 0 HE ARG A 60 45.073 -14.776 -26.228 1.00 0.00 H new ATOM 0 HH11 ARG A 60 47.207 -13.145 -23.963 1.00 0.00 H new ATOM 0 HH12 ARG A 60 46.434 -11.569 -24.161 1.00 0.00 H new ATOM 0 HH21 ARG A 60 44.240 -12.660 -26.675 1.00 0.00 H new ATOM 0 HH22 ARG A 60 44.769 -11.298 -25.682 1.00 0.00 H new ATOM 1031 N LYS A 67 45.440 -12.579 -29.406 1.00 0.00 N ATOM 1032 CA LYS A 67 44.708 -13.717 -29.969 1.00 0.00 C ATOM 1033 C LYS A 67 43.602 -14.191 -29.032 1.00 0.00 C ATOM 1034 O LYS A 67 43.806 -14.431 -27.841 1.00 0.00 O ATOM 1035 CB LYS A 67 45.627 -14.877 -30.391 1.00 0.00 C ATOM 1036 CG LYS A 67 45.114 -15.620 -31.641 1.00 0.00 C ATOM 1037 CD LYS A 67 43.868 -16.471 -31.343 1.00 0.00 C ATOM 1038 CE LYS A 67 43.960 -17.853 -32.001 1.00 0.00 C ATOM 1039 NZ LYS A 67 42.972 -18.766 -31.394 1.00 0.00 N ATOM 0 HA LYS A 67 44.239 -13.353 -30.883 1.00 0.00 H new ATOM 0 HB2 LYS A 67 46.626 -14.490 -30.589 1.00 0.00 H new ATOM 0 HB3 LYS A 67 45.716 -15.583 -29.565 1.00 0.00 H new ATOM 0 HG2 LYS A 67 44.879 -14.896 -32.421 1.00 0.00 H new ATOM 0 HG3 LYS A 67 45.905 -16.261 -32.030 1.00 0.00 H new ATOM 0 HD2 LYS A 67 43.755 -16.587 -30.265 1.00 0.00 H new ATOM 0 HD3 LYS A 67 42.979 -15.954 -31.703 1.00 0.00 H new ATOM 0 HE2 LYS A 67 43.779 -17.768 -33.072 1.00 0.00 H new ATOM 0 HE3 LYS A 67 44.965 -18.257 -31.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 43.284 -19.750 -31.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 42.886 -18.559 -30.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 42.048 -18.633 -31.853 1.00 0.00 H new ATOM 1053 N ASN A 68 42.416 -14.317 -29.596 1.00 0.00 N ATOM 1054 CA ASN A 68 41.255 -14.691 -28.791 1.00 0.00 C ATOM 1055 C ASN A 68 40.355 -15.626 -29.577 1.00 0.00 C ATOM 1056 O ASN A 68 40.423 -15.707 -30.806 1.00 0.00 O ATOM 1057 CB ASN A 68 40.420 -13.507 -28.269 1.00 0.00 C ATOM 1058 CG ASN A 68 40.775 -12.145 -28.898 1.00 0.00 C ATOM 1059 OD1 ASN A 68 41.175 -12.048 -30.057 1.00 0.00 O ATOM 1060 ND2 ASN A 68 40.580 -11.064 -28.165 1.00 0.00 N ATOM 0 H ASN A 68 42.226 -14.171 -30.587 1.00 0.00 H new ATOM 0 HA ASN A 68 41.666 -15.184 -27.910 1.00 0.00 H new ATOM 0 HB2 ASN A 68 39.366 -13.714 -28.453 1.00 0.00 H new ATOM 0 HB3 ASN A 68 40.547 -13.438 -27.189 1.00 0.00 H new ATOM 0 HD21 ASN A 68 40.761 -10.141 -28.559 1.00 0.00 H new ATOM 0 HD22 ASN A 68 40.248 -11.152 -27.205 1.00 0.00 H new ATOM 1067 N ILE A 69 39.489 -16.339 -28.877 1.00 0.00 N ATOM 1068 CA ILE A 69 38.599 -17.245 -29.599 1.00 0.00 C ATOM 1069 C ILE A 69 37.215 -16.661 -29.828 1.00 0.00 C ATOM 1070 O ILE A 69 36.379 -16.523 -28.936 1.00 0.00 O ATOM 1071 CB ILE A 69 38.573 -18.673 -29.092 1.00 0.00 C ATOM 1072 CG1 ILE A 69 37.955 -18.797 -27.688 1.00 0.00 C ATOM 1073 CG2 ILE A 69 40.002 -19.223 -29.092 1.00 0.00 C ATOM 1074 CD1 ILE A 69 38.242 -20.163 -27.061 1.00 0.00 C ATOM 0 H ILE A 69 39.380 -16.317 -27.863 1.00 0.00 H new ATOM 0 HA ILE A 69 39.061 -17.335 -30.582 1.00 0.00 H new ATOM 0 HB ILE A 69 37.938 -19.254 -29.760 1.00 0.00 H new ATOM 0 HG12 ILE A 69 38.352 -18.011 -27.045 1.00 0.00 H new ATOM 0 HG13 ILE A 69 36.878 -18.644 -27.750 1.00 0.00 H new ATOM 0 HG21 ILE A 69 39.996 -20.251 -28.729 1.00 0.00 H new ATOM 0 HG22 ILE A 69 40.401 -19.199 -30.106 1.00 0.00 H new ATOM 0 HG23 ILE A 69 40.627 -18.612 -28.441 1.00 0.00 H new ATOM 0 HD11 ILE A 69 37.789 -20.211 -26.071 1.00 0.00 H new ATOM 0 HD12 ILE A 69 37.822 -20.948 -27.690 1.00 0.00 H new ATOM 0 HD13 ILE A 69 39.319 -20.305 -26.975 1.00 0.00 H new ATOM 1086 N GLY A 70 37.003 -16.335 -31.081 1.00 0.00 N ATOM 1087 CA GLY A 70 35.785 -15.605 -31.453 1.00 0.00 C ATOM 1088 C GLY A 70 34.648 -16.500 -31.945 1.00 0.00 C ATOM 1089 O GLY A 70 34.555 -17.668 -31.574 1.00 0.00 O ATOM 0 H GLY A 70 37.633 -16.551 -31.854 1.00 0.00 H new ATOM 0 HA2 GLY A 70 35.438 -15.035 -30.591 1.00 0.00 H new ATOM 0 HA3 GLY A 70 36.030 -14.885 -32.233 1.00 0.00 H new ATOM 1093 N PRO A 71 33.744 -15.902 -32.745 1.00 0.00 N ATOM 1094 CA PRO A 71 32.449 -16.542 -33.069 1.00 0.00 C ATOM 1095 C PRO A 71 32.415 -18.077 -33.033 1.00 0.00 C ATOM 1096 O PRO A 71 31.572 -18.677 -32.370 1.00 0.00 O ATOM 1097 CB PRO A 71 32.080 -16.017 -34.463 1.00 0.00 C ATOM 1098 CG PRO A 71 33.162 -15.026 -34.894 1.00 0.00 C ATOM 1099 CD PRO A 71 34.220 -14.999 -33.796 1.00 0.00 C ATOM 0 HA PRO A 71 31.733 -16.279 -32.290 1.00 0.00 H new ATOM 0 HB2 PRO A 71 32.011 -16.840 -35.175 1.00 0.00 H new ATOM 0 HB3 PRO A 71 31.104 -15.531 -34.442 1.00 0.00 H new ATOM 0 HG2 PRO A 71 33.603 -15.328 -35.844 1.00 0.00 H new ATOM 0 HG3 PRO A 71 32.736 -14.033 -35.041 1.00 0.00 H new ATOM 0 HD2 PRO A 71 35.187 -15.324 -34.180 1.00 0.00 H new ATOM 0 HD3 PRO A 71 34.354 -13.989 -33.410 1.00 0.00 H new ATOM 1107 N GLU A 72 33.296 -18.715 -33.784 1.00 0.00 N ATOM 1108 CA GLU A 72 33.202 -20.174 -33.908 1.00 0.00 C ATOM 1109 C GLU A 72 34.218 -21.003 -33.093 1.00 0.00 C ATOM 1110 O GLU A 72 33.865 -22.060 -32.571 1.00 0.00 O ATOM 1111 CB GLU A 72 33.214 -20.604 -35.375 1.00 0.00 C ATOM 1112 CG GLU A 72 32.444 -21.911 -35.604 1.00 0.00 C ATOM 1113 CD GLU A 72 32.892 -22.582 -36.894 1.00 0.00 C ATOM 1114 OE1 GLU A 72 33.927 -23.284 -36.878 1.00 0.00 O ATOM 1115 OE2 GLU A 72 32.214 -22.413 -37.929 1.00 0.00 O ATOM 0 H GLU A 72 34.058 -18.276 -34.301 1.00 0.00 H new ATOM 0 HA GLU A 72 32.240 -20.406 -33.451 1.00 0.00 H new ATOM 0 HB2 GLU A 72 32.776 -19.815 -35.986 1.00 0.00 H new ATOM 0 HB3 GLU A 72 34.245 -20.729 -35.706 1.00 0.00 H new ATOM 0 HG2 GLU A 72 32.605 -22.585 -34.763 1.00 0.00 H new ATOM 0 HG3 GLU A 72 31.374 -21.706 -35.648 1.00 0.00 H new ATOM 1122 N GLU A 73 35.479 -20.555 -32.999 1.00 0.00 N ATOM 1123 CA GLU A 73 36.526 -21.418 -32.419 1.00 0.00 C ATOM 1124 C GLU A 73 36.147 -22.133 -31.115 1.00 0.00 C ATOM 1125 O GLU A 73 36.437 -23.316 -30.928 1.00 0.00 O ATOM 1126 CB GLU A 73 37.842 -20.629 -32.290 1.00 0.00 C ATOM 1127 CG GLU A 73 38.930 -21.363 -31.480 1.00 0.00 C ATOM 1128 CD GLU A 73 40.322 -20.822 -31.801 1.00 0.00 C ATOM 1129 OE1 GLU A 73 40.430 -19.689 -32.320 1.00 0.00 O ATOM 1130 OE2 GLU A 73 41.316 -21.521 -31.514 1.00 0.00 O ATOM 0 H GLU A 73 35.794 -19.634 -33.304 1.00 0.00 H new ATOM 0 HA GLU A 73 36.659 -22.240 -33.123 1.00 0.00 H new ATOM 0 HB2 GLU A 73 38.226 -20.416 -33.287 1.00 0.00 H new ATOM 0 HB3 GLU A 73 37.635 -19.669 -31.816 1.00 0.00 H new ATOM 0 HG2 GLU A 73 38.731 -21.250 -30.414 1.00 0.00 H new ATOM 0 HG3 GLU A 73 38.893 -22.430 -31.700 1.00 0.00 H new ATOM 1137 N TRP A 74 35.468 -21.432 -30.218 1.00 0.00 N ATOM 1138 CA TRP A 74 35.152 -22.051 -28.926 1.00 0.00 C ATOM 1139 C TRP A 74 34.079 -23.172 -29.001 1.00 0.00 C ATOM 1140 O TRP A 74 34.215 -24.212 -28.351 1.00 0.00 O ATOM 1141 CB TRP A 74 35.131 -20.981 -27.796 1.00 0.00 C ATOM 1142 CG TRP A 74 33.980 -20.999 -26.798 1.00 0.00 C ATOM 1143 CD1 TRP A 74 33.175 -19.863 -26.657 1.00 0.00 C ATOM 1144 CD2 TRP A 74 34.056 -21.588 -25.552 1.00 0.00 C ATOM 1145 NE1 TRP A 74 32.630 -19.784 -25.370 1.00 0.00 N ATOM 1146 CE2 TRP A 74 33.187 -20.887 -24.710 1.00 0.00 C ATOM 1147 CE3 TRP A 74 35.239 -22.065 -25.022 1.00 0.00 C ATOM 1148 CZ2 TRP A 74 33.404 -20.896 -23.373 1.00 0.00 C ATOM 1149 CZ3 TRP A 74 35.419 -22.033 -23.669 1.00 0.00 C ATOM 1150 CH2 TRP A 74 34.387 -21.679 -22.877 1.00 0.00 C ATOM 0 H TRP A 74 35.135 -20.476 -30.344 1.00 0.00 H new ATOM 0 HA TRP A 74 35.964 -22.695 -28.589 1.00 0.00 H new ATOM 0 HB2 TRP A 74 36.059 -21.076 -27.233 1.00 0.00 H new ATOM 0 HB3 TRP A 74 35.144 -19.999 -28.269 1.00 0.00 H new ATOM 0 HD1 TRP A 74 32.997 -19.141 -27.440 1.00 0.00 H new ATOM 0 HE1 TRP A 74 31.982 -19.089 -25.001 1.00 0.00 H new ATOM 0 HE3 TRP A 74 36.010 -22.457 -25.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 32.802 -20.288 -22.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 36.376 -22.288 -23.239 1.00 0.00 H new ATOM 0 HH2 TRP A 74 34.346 -22.019 -21.853 1.00 0.00 H new ATOM 1161 N LEU A 75 33.089 -23.046 -29.896 1.00 0.00 N ATOM 1162 CA LEU A 75 32.199 -24.204 -30.146 1.00 0.00 C ATOM 1163 C LEU A 75 32.784 -25.228 -31.129 1.00 0.00 C ATOM 1164 O LEU A 75 32.421 -26.401 -31.084 1.00 0.00 O ATOM 1165 CB LEU A 75 30.777 -23.864 -30.628 1.00 0.00 C ATOM 1166 CG LEU A 75 29.685 -24.661 -29.875 1.00 0.00 C ATOM 1167 CD1 LEU A 75 28.318 -24.304 -30.373 1.00 0.00 C ATOM 1168 CD2 LEU A 75 29.698 -26.163 -30.126 1.00 0.00 C ATOM 0 H LEU A 75 32.885 -22.205 -30.436 1.00 0.00 H new ATOM 0 HA LEU A 75 32.125 -24.631 -29.146 1.00 0.00 H new ATOM 0 HB2 LEU A 75 30.598 -22.797 -30.496 1.00 0.00 H new ATOM 0 HB3 LEU A 75 30.701 -24.070 -31.696 1.00 0.00 H new ATOM 0 HG LEU A 75 29.895 -24.415 -28.834 1.00 0.00 H new ATOM 0 HD11 LEU A 75 27.570 -24.879 -29.827 1.00 0.00 H new ATOM 0 HD12 LEU A 75 28.141 -23.239 -30.219 1.00 0.00 H new ATOM 0 HD13 LEU A 75 28.247 -24.534 -31.436 1.00 0.00 H new ATOM 0 HD21 LEU A 75 28.897 -26.634 -29.556 1.00 0.00 H new ATOM 0 HD22 LEU A 75 29.549 -26.356 -31.188 1.00 0.00 H new ATOM 0 HD23 LEU A 75 30.657 -26.576 -29.814 1.00 0.00 H new ATOM 1180 N THR A 76 33.652 -24.829 -32.061 1.00 0.00 N ATOM 1181 CA THR A 76 34.200 -25.855 -32.962 1.00 0.00 C ATOM 1182 C THR A 76 35.157 -26.797 -32.234 1.00 0.00 C ATOM 1183 O THR A 76 35.053 -28.016 -32.375 1.00 0.00 O ATOM 1184 CB THR A 76 34.752 -25.375 -34.307 1.00 0.00 C ATOM 1185 OG1 THR A 76 33.669 -24.979 -35.136 1.00 0.00 O ATOM 1186 CG2 THR A 76 35.732 -24.217 -34.170 1.00 0.00 C ATOM 0 H THR A 76 33.976 -23.873 -32.211 1.00 0.00 H new ATOM 0 HA THR A 76 33.318 -26.420 -33.264 1.00 0.00 H new ATOM 0 HB THR A 76 35.302 -26.207 -34.748 1.00 0.00 H new ATOM 0 HG1 THR A 76 34.016 -24.626 -35.982 1.00 0.00 H new ATOM 0 HG21 THR A 76 36.088 -23.923 -35.157 1.00 0.00 H new ATOM 0 HG22 THR A 76 35.232 -23.371 -33.697 1.00 0.00 H new ATOM 0 HG23 THR A 76 36.578 -24.527 -33.557 1.00 0.00 H new ATOM 1194 N LEU A 77 36.080 -26.269 -31.428 1.00 0.00 N ATOM 1195 CA LEU A 77 36.826 -27.187 -30.563 1.00 0.00 C ATOM 1196 C LEU A 77 35.905 -27.833 -29.516 1.00 0.00 C ATOM 1197 O LEU A 77 36.036 -29.016 -29.242 1.00 0.00 O ATOM 1198 CB LEU A 77 38.143 -26.650 -29.970 1.00 0.00 C ATOM 1199 CG LEU A 77 37.888 -25.614 -28.879 1.00 0.00 C ATOM 1200 CD1 LEU A 77 38.225 -26.073 -27.481 1.00 0.00 C ATOM 1201 CD2 LEU A 77 38.744 -24.389 -29.135 1.00 0.00 C ATOM 0 H LEU A 77 36.319 -25.280 -31.354 1.00 0.00 H new ATOM 0 HA LEU A 77 37.183 -27.968 -31.234 1.00 0.00 H new ATOM 0 HB2 LEU A 77 38.721 -27.477 -29.559 1.00 0.00 H new ATOM 0 HB3 LEU A 77 38.744 -26.204 -30.762 1.00 0.00 H new ATOM 0 HG LEU A 77 36.817 -25.418 -28.926 1.00 0.00 H new ATOM 0 HD11 LEU A 77 38.012 -25.272 -26.774 1.00 0.00 H new ATOM 0 HD12 LEU A 77 37.625 -26.948 -27.231 1.00 0.00 H new ATOM 0 HD13 LEU A 77 39.283 -26.332 -27.428 1.00 0.00 H new ATOM 0 HD21 LEU A 77 38.562 -23.649 -28.356 1.00 0.00 H new ATOM 0 HD22 LEU A 77 39.796 -24.673 -29.128 1.00 0.00 H new ATOM 0 HD23 LEU A 77 38.490 -23.964 -30.106 1.00 0.00 H new ATOM 1213 N CYS A 78 34.906 -27.122 -28.981 1.00 0.00 N ATOM 1214 CA CYS A 78 33.985 -27.809 -28.059 1.00 0.00 C ATOM 1215 C CYS A 78 33.229 -28.972 -28.725 1.00 0.00 C ATOM 1216 O CYS A 78 33.028 -30.026 -28.123 1.00 0.00 O ATOM 1217 CB CYS A 78 33.017 -26.865 -27.347 1.00 0.00 C ATOM 1218 SG CYS A 78 32.154 -27.774 -26.022 1.00 0.00 S ATOM 0 H CYS A 78 34.717 -26.134 -29.152 1.00 0.00 H new ATOM 0 HA CYS A 78 34.632 -28.234 -27.292 1.00 0.00 H new ATOM 0 HB2 CYS A 78 33.559 -26.017 -26.928 1.00 0.00 H new ATOM 0 HB3 CYS A 78 32.295 -26.462 -28.057 1.00 0.00 H new ATOM 0 HG CYS A 78 32.158 -29.045 -26.294 1.00 0.00 H new ATOM 1224 N SER A 79 32.830 -28.796 -29.985 1.00 0.00 N ATOM 1225 CA SER A 79 32.171 -29.903 -30.694 1.00 0.00 C ATOM 1226 C SER A 79 33.123 -31.067 -31.007 1.00 0.00 C ATOM 1227 O SER A 79 32.757 -32.236 -30.878 1.00 0.00 O ATOM 1228 CB SER A 79 31.424 -29.438 -31.950 1.00 0.00 C ATOM 1229 OG SER A 79 32.239 -28.552 -32.706 1.00 0.00 O ATOM 0 H SER A 79 32.943 -27.936 -30.522 1.00 0.00 H new ATOM 0 HA SER A 79 31.424 -30.286 -29.999 1.00 0.00 H new ATOM 0 HB2 SER A 79 31.149 -30.300 -32.558 1.00 0.00 H new ATOM 0 HB3 SER A 79 30.497 -28.939 -31.667 1.00 0.00 H new ATOM 0 HG SER A 79 32.255 -27.673 -32.274 1.00 0.00 H new ATOM 1235 N LYS A 80 34.351 -30.761 -31.428 1.00 0.00 N ATOM 1236 CA LYS A 80 35.339 -31.839 -31.615 1.00 0.00 C ATOM 1237 C LYS A 80 35.806 -32.464 -30.287 1.00 0.00 C ATOM 1238 O LYS A 80 36.109 -33.653 -30.199 1.00 0.00 O ATOM 1239 CB LYS A 80 36.557 -31.403 -32.442 1.00 0.00 C ATOM 1240 CG LYS A 80 36.206 -31.246 -33.927 1.00 0.00 C ATOM 1241 CD LYS A 80 36.575 -29.850 -34.447 1.00 0.00 C ATOM 1242 CE LYS A 80 35.566 -29.344 -35.481 1.00 0.00 C ATOM 1243 NZ LYS A 80 34.227 -29.191 -34.873 1.00 0.00 N ATOM 0 H LYS A 80 34.682 -29.820 -31.640 1.00 0.00 H new ATOM 0 HA LYS A 80 34.805 -32.603 -32.180 1.00 0.00 H new ATOM 0 HB2 LYS A 80 36.940 -30.458 -32.056 1.00 0.00 H new ATOM 0 HB3 LYS A 80 37.354 -32.138 -32.332 1.00 0.00 H new ATOM 0 HG2 LYS A 80 36.732 -32.003 -34.508 1.00 0.00 H new ATOM 0 HG3 LYS A 80 35.139 -31.419 -34.070 1.00 0.00 H new ATOM 0 HD2 LYS A 80 36.621 -29.151 -33.612 1.00 0.00 H new ATOM 0 HD3 LYS A 80 37.569 -29.879 -34.893 1.00 0.00 H new ATOM 0 HE2 LYS A 80 35.899 -28.388 -35.884 1.00 0.00 H new ATOM 0 HE3 LYS A 80 35.514 -30.041 -36.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 33.670 -28.510 -35.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 33.742 -30.111 -34.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 34.326 -28.844 -33.898 1.00 0.00 H new ATOM 1257 N TRP A 81 35.882 -31.633 -29.255 1.00 0.00 N ATOM 1258 CA TRP A 81 36.229 -32.134 -27.919 1.00 0.00 C ATOM 1259 C TRP A 81 35.212 -33.141 -27.377 1.00 0.00 C ATOM 1260 O TRP A 81 35.571 -34.169 -26.800 1.00 0.00 O ATOM 1261 CB TRP A 81 36.416 -30.970 -26.918 1.00 0.00 C ATOM 1262 CG TRP A 81 37.838 -30.430 -26.928 1.00 0.00 C ATOM 1263 CD1 TRP A 81 38.385 -29.744 -28.020 1.00 0.00 C ATOM 1264 CD2 TRP A 81 38.840 -31.165 -26.368 1.00 0.00 C ATOM 1265 NE1 TRP A 81 39.742 -30.110 -28.188 1.00 0.00 N ATOM 1266 CE2 TRP A 81 39.990 -30.988 -27.123 1.00 0.00 C ATOM 1267 CE3 TRP A 81 38.605 -32.350 -25.734 1.00 0.00 C ATOM 1268 CZ2 TRP A 81 40.874 -32.019 -27.222 1.00 0.00 C ATOM 1269 CZ3 TRP A 81 39.552 -33.310 -25.749 1.00 0.00 C ATOM 1270 CH2 TRP A 81 40.698 -33.126 -26.447 1.00 0.00 C ATOM 0 H TRP A 81 35.713 -30.628 -29.308 1.00 0.00 H new ATOM 0 HA TRP A 81 37.176 -32.663 -28.030 1.00 0.00 H new ATOM 0 HB2 TRP A 81 35.722 -30.166 -27.163 1.00 0.00 H new ATOM 0 HB3 TRP A 81 36.166 -31.312 -25.914 1.00 0.00 H new ATOM 0 HD1 TRP A 81 37.851 -29.040 -28.641 1.00 0.00 H new ATOM 0 HE1 TRP A 81 40.389 -29.806 -28.915 1.00 0.00 H new ATOM 0 HE3 TRP A 81 37.668 -32.518 -25.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 41.706 -31.960 -27.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 39.396 -34.228 -25.203 1.00 0.00 H new ATOM 0 HH2 TRP A 81 41.482 -33.866 -26.389 1.00 0.00 H new ATOM 1281 N VAL A 82 33.931 -32.849 -27.566 1.00 0.00 N ATOM 1282 CA VAL A 82 32.906 -33.777 -27.054 1.00 0.00 C ATOM 1283 C VAL A 82 32.549 -34.901 -28.046 1.00 0.00 C ATOM 1284 O VAL A 82 32.671 -36.086 -27.737 1.00 0.00 O ATOM 1285 CB VAL A 82 31.667 -33.056 -26.481 1.00 0.00 C ATOM 1286 CG1 VAL A 82 30.830 -32.383 -27.576 1.00 0.00 C ATOM 1287 CG2 VAL A 82 30.788 -34.041 -25.702 1.00 0.00 C ATOM 0 H VAL A 82 33.579 -32.020 -28.045 1.00 0.00 H new ATOM 0 HA VAL A 82 33.370 -34.280 -26.205 1.00 0.00 H new ATOM 0 HB VAL A 82 32.034 -32.278 -25.812 1.00 0.00 H new ATOM 0 HG11 VAL A 82 29.970 -31.889 -27.124 1.00 0.00 H new ATOM 0 HG12 VAL A 82 31.439 -31.645 -28.098 1.00 0.00 H new ATOM 0 HG13 VAL A 82 30.485 -33.136 -28.285 1.00 0.00 H new ATOM 0 HG21 VAL A 82 29.919 -33.517 -25.304 1.00 0.00 H new ATOM 0 HG22 VAL A 82 30.458 -34.839 -26.367 1.00 0.00 H new ATOM 0 HG23 VAL A 82 31.361 -34.468 -24.879 1.00 0.00 H new