USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=19 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 Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 24:sc= -9.99! USER MOD Single : A 17 MET CE :methyl 147:sc= -0.916 (180deg=-1.45) USER MOD Single : A 18 LYS NZ :NH3+ 175:sc= 1.3 (180deg=1.14) USER MOD Single : A 29 ASN : amide:sc= -0.0795 X(o=-0.08,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 21:sc= 0.0481 USER MOD Single : A 37 MET CE :methyl 141:sc= -2 (180deg=-5.18!) USER MOD Single : A 39 MET CE :methyl 169:sc=-0.00631 (180deg=-0.168) USER MOD Single : A 41 THR OG1 : rot 90:sc= 1.3 USER MOD Single : A 42 LYS NZ :NH3+ -154:sc= 1.29 (180deg=1.27) USER MOD Single : A 45 GLN : amide:sc= 0.378 K(o=0.38,f=-1.2) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 47 TYR OH : rot -38:sc= 0.911 USER MOD Single : A 48 THR OG1 : rot -32:sc= 0.373 USER MOD Single : A 49 LYS NZ :NH3+ -177:sc= 0.968 (180deg=0.872) USER MOD Single : A 52 THR OG1 : rot -120:sc= -0.071 USER MOD Single : A 56 MET CE :methyl 169:sc= -0.841 (180deg=-1.02) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 1.28 (180deg=1.28) USER MOD Single : A 67 LYS NZ :NH3+ -166:sc= 1.2 (180deg=1.03) USER MOD Single : A 68 ASN : amide:sc= -2.77! C(o=-2.8!,f=-4.7!) USER MOD Single : A 76 THR OG1 : rot 87:sc= 1.24 USER MOD Single : A 78 CYS SG : rot 93:sc=-0.00965 USER MOD Single : A 79 SER OG : rot 97:sc= 0.797 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 158 N GLU A 12 25.811 -30.612 -23.772 1.00 0.00 N ATOM 159 CA GLU A 12 27.136 -29.974 -23.726 1.00 0.00 C ATOM 160 C GLU A 12 27.323 -28.951 -24.853 1.00 0.00 C ATOM 161 O GLU A 12 28.040 -27.961 -24.707 1.00 0.00 O ATOM 162 CB GLU A 12 28.285 -30.989 -23.739 1.00 0.00 C ATOM 163 CG GLU A 12 29.576 -30.369 -23.187 1.00 0.00 C ATOM 164 CD GLU A 12 30.672 -31.411 -23.025 1.00 0.00 C ATOM 165 OE1 GLU A 12 30.446 -32.421 -22.325 1.00 0.00 O ATOM 166 OE2 GLU A 12 31.775 -31.214 -23.579 1.00 0.00 O ATOM 0 HA GLU A 12 27.172 -29.447 -22.773 1.00 0.00 H new ATOM 0 HB2 GLU A 12 28.012 -31.860 -23.143 1.00 0.00 H new ATOM 0 HB3 GLU A 12 28.453 -31.340 -24.757 1.00 0.00 H new ATOM 0 HG2 GLU A 12 29.918 -29.581 -23.858 1.00 0.00 H new ATOM 0 HG3 GLU A 12 29.373 -29.901 -22.224 1.00 0.00 H new ATOM 173 N LYS A 13 26.693 -29.191 -26.002 1.00 0.00 N ATOM 174 CA LYS A 13 26.706 -28.152 -27.033 1.00 0.00 C ATOM 175 C LYS A 13 25.915 -26.916 -26.623 1.00 0.00 C ATOM 176 O LYS A 13 26.309 -25.786 -26.930 1.00 0.00 O ATOM 177 CB LYS A 13 26.332 -28.670 -28.424 1.00 0.00 C ATOM 178 CG LYS A 13 24.823 -28.841 -28.618 1.00 0.00 C ATOM 179 CD LYS A 13 24.201 -27.584 -29.234 1.00 0.00 C ATOM 180 CE LYS A 13 22.695 -27.759 -29.445 1.00 0.00 C ATOM 181 NZ LYS A 13 21.964 -27.436 -28.202 1.00 0.00 N ATOM 0 H LYS A 13 26.192 -30.048 -26.237 1.00 0.00 H new ATOM 0 HA LYS A 13 27.745 -27.833 -27.120 1.00 0.00 H new ATOM 0 HB2 LYS A 13 26.713 -27.979 -29.176 1.00 0.00 H new ATOM 0 HB3 LYS A 13 26.824 -29.628 -28.593 1.00 0.00 H new ATOM 0 HG2 LYS A 13 24.631 -29.699 -29.262 1.00 0.00 H new ATOM 0 HG3 LYS A 13 24.351 -29.051 -27.658 1.00 0.00 H new ATOM 0 HD2 LYS A 13 24.383 -26.729 -28.583 1.00 0.00 H new ATOM 0 HD3 LYS A 13 24.682 -27.367 -30.188 1.00 0.00 H new ATOM 0 HE2 LYS A 13 22.356 -27.111 -30.253 1.00 0.00 H new ATOM 0 HE3 LYS A 13 22.479 -28.784 -29.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 20.943 -27.559 -28.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 22.277 -28.071 -27.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 22.157 -26.450 -27.932 1.00 0.00 H new ATOM 195 N ASP A 14 24.790 -27.095 -25.930 1.00 0.00 N ATOM 196 CA ASP A 14 24.140 -25.897 -25.391 1.00 0.00 C ATOM 197 C ASP A 14 25.038 -25.178 -24.370 1.00 0.00 C ATOM 198 O ASP A 14 25.021 -23.955 -24.250 1.00 0.00 O ATOM 199 CB ASP A 14 22.735 -26.149 -24.846 1.00 0.00 C ATOM 200 CG ASP A 14 21.820 -24.951 -25.079 1.00 0.00 C ATOM 201 OD1 ASP A 14 21.810 -24.023 -24.241 1.00 0.00 O ATOM 202 OD2 ASP A 14 21.110 -24.933 -26.107 1.00 0.00 O ATOM 0 H ASP A 14 24.335 -27.987 -25.737 1.00 0.00 H new ATOM 0 HA ASP A 14 24.000 -25.228 -26.240 1.00 0.00 H new ATOM 0 HB2 ASP A 14 22.311 -27.031 -25.326 1.00 0.00 H new ATOM 0 HB3 ASP A 14 22.791 -26.363 -23.779 1.00 0.00 H new ATOM 207 N GLU A 15 25.873 -25.949 -23.671 1.00 0.00 N ATOM 208 CA GLU A 15 26.877 -25.334 -22.796 1.00 0.00 C ATOM 209 C GLU A 15 27.886 -24.466 -23.546 1.00 0.00 C ATOM 210 O GLU A 15 28.188 -23.344 -23.139 1.00 0.00 O ATOM 211 CB GLU A 15 27.651 -26.368 -21.957 1.00 0.00 C ATOM 212 CG GLU A 15 26.905 -26.733 -20.670 1.00 0.00 C ATOM 213 CD GLU A 15 27.006 -25.626 -19.631 1.00 0.00 C ATOM 214 OE1 GLU A 15 26.148 -24.717 -19.633 1.00 0.00 O ATOM 215 OE2 GLU A 15 27.943 -25.662 -18.805 1.00 0.00 O ATOM 0 H GLU A 15 25.878 -26.969 -23.689 1.00 0.00 H new ATOM 0 HA GLU A 15 26.292 -24.696 -22.133 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.814 -27.268 -22.550 1.00 0.00 H new ATOM 0 HB3 GLU A 15 28.634 -25.969 -21.706 1.00 0.00 H new ATOM 0 HG2 GLU A 15 25.856 -26.924 -20.898 1.00 0.00 H new ATOM 0 HG3 GLU A 15 27.315 -27.656 -20.260 1.00 0.00 H new ATOM 222 N CYS A 16 28.426 -24.977 -24.646 1.00 0.00 N ATOM 223 CA CYS A 16 29.450 -24.201 -25.353 1.00 0.00 C ATOM 224 C CYS A 16 28.905 -23.003 -26.142 1.00 0.00 C ATOM 225 O CYS A 16 29.628 -22.037 -26.390 1.00 0.00 O ATOM 226 CB CYS A 16 30.400 -25.055 -26.187 1.00 0.00 C ATOM 227 SG CYS A 16 29.473 -26.359 -27.037 1.00 0.00 S ATOM 0 H CYS A 16 28.191 -25.881 -25.057 1.00 0.00 H new ATOM 0 HA CYS A 16 30.048 -23.773 -24.549 1.00 0.00 H new ATOM 0 HB2 CYS A 16 30.919 -24.432 -26.915 1.00 0.00 H new ATOM 0 HB3 CYS A 16 31.162 -25.498 -25.546 1.00 0.00 H new ATOM 0 HG CYS A 16 28.230 -25.998 -27.160 1.00 0.00 H new ATOM 233 N MET A 17 27.642 -23.030 -26.564 1.00 0.00 N ATOM 234 CA MET A 17 27.078 -21.779 -27.113 1.00 0.00 C ATOM 235 C MET A 17 26.520 -20.840 -26.024 1.00 0.00 C ATOM 236 O MET A 17 26.324 -19.647 -26.257 1.00 0.00 O ATOM 237 CB MET A 17 26.214 -21.939 -28.372 1.00 0.00 C ATOM 238 CG MET A 17 26.888 -21.218 -29.562 1.00 0.00 C ATOM 239 SD MET A 17 28.676 -21.552 -29.505 1.00 0.00 S ATOM 240 CE MET A 17 29.293 -20.623 -30.922 1.00 0.00 C ATOM 0 H MET A 17 27.020 -23.838 -26.545 1.00 0.00 H new ATOM 0 HA MET A 17 27.934 -21.240 -27.519 1.00 0.00 H new ATOM 0 HB2 MET A 17 26.082 -22.996 -28.602 1.00 0.00 H new ATOM 0 HB3 MET A 17 25.221 -21.524 -28.198 1.00 0.00 H new ATOM 0 HG2 MET A 17 26.467 -21.569 -30.504 1.00 0.00 H new ATOM 0 HG3 MET A 17 26.702 -20.145 -29.509 1.00 0.00 H new ATOM 0 HE1 MET A 17 30.293 -20.248 -30.704 1.00 0.00 H new ATOM 0 HE2 MET A 17 29.333 -21.275 -31.795 1.00 0.00 H new ATOM 0 HE3 MET A 17 28.627 -19.784 -31.125 1.00 0.00 H new ATOM 250 N LYS A 18 26.334 -21.348 -24.806 1.00 0.00 N ATOM 251 CA LYS A 18 26.034 -20.446 -23.694 1.00 0.00 C ATOM 252 C LYS A 18 27.310 -19.792 -23.140 1.00 0.00 C ATOM 253 O LYS A 18 27.354 -18.589 -22.878 1.00 0.00 O ATOM 254 CB LYS A 18 25.264 -21.176 -22.588 1.00 0.00 C ATOM 255 CG LYS A 18 24.118 -20.338 -22.004 1.00 0.00 C ATOM 256 CD LYS A 18 22.767 -20.928 -22.418 1.00 0.00 C ATOM 257 CE LYS A 18 22.420 -20.571 -23.865 1.00 0.00 C ATOM 258 NZ LYS A 18 21.308 -21.421 -24.328 1.00 0.00 N ATOM 0 H LYS A 18 26.383 -22.339 -24.568 1.00 0.00 H new ATOM 0 HA LYS A 18 25.398 -19.649 -24.078 1.00 0.00 H new ATOM 0 HB2 LYS A 18 24.860 -22.106 -22.987 1.00 0.00 H new ATOM 0 HB3 LYS A 18 25.954 -21.445 -21.789 1.00 0.00 H new ATOM 0 HG2 LYS A 18 24.194 -20.312 -20.917 1.00 0.00 H new ATOM 0 HG3 LYS A 18 24.196 -19.308 -22.353 1.00 0.00 H new ATOM 0 HD2 LYS A 18 22.792 -22.012 -22.305 1.00 0.00 H new ATOM 0 HD3 LYS A 18 21.987 -20.556 -21.753 1.00 0.00 H new ATOM 0 HE2 LYS A 18 22.141 -19.520 -23.935 1.00 0.00 H new ATOM 0 HE3 LYS A 18 23.291 -20.713 -24.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 21.016 -21.122 -25.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 21.618 -22.413 -24.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 20.505 -21.328 -23.674 1.00 0.00 H new ATOM 272 N ILE A 19 28.353 -20.603 -22.950 1.00 0.00 N ATOM 273 CA ILE A 19 29.683 -20.035 -22.660 1.00 0.00 C ATOM 274 C ILE A 19 30.092 -19.006 -23.731 1.00 0.00 C ATOM 275 O ILE A 19 30.517 -17.891 -23.433 1.00 0.00 O ATOM 276 CB ILE A 19 30.729 -21.166 -22.433 1.00 0.00 C ATOM 277 CG1 ILE A 19 31.895 -20.821 -21.490 1.00 0.00 C ATOM 278 CG2 ILE A 19 31.304 -21.742 -23.720 1.00 0.00 C ATOM 279 CD1 ILE A 19 32.186 -19.334 -21.375 1.00 0.00 C ATOM 0 H ILE A 19 28.314 -21.622 -22.988 1.00 0.00 H new ATOM 0 HA ILE A 19 29.638 -19.479 -21.724 1.00 0.00 H new ATOM 0 HB ILE A 19 30.119 -21.919 -21.935 1.00 0.00 H new ATOM 0 HG12 ILE A 19 31.673 -21.214 -20.498 1.00 0.00 H new ATOM 0 HG13 ILE A 19 32.793 -21.329 -21.841 1.00 0.00 H new ATOM 0 HG21 ILE A 19 32.024 -22.524 -23.479 1.00 0.00 H new ATOM 0 HG22 ILE A 19 30.499 -22.164 -24.322 1.00 0.00 H new ATOM 0 HG23 ILE A 19 31.801 -20.951 -24.282 1.00 0.00 H new ATOM 0 HD11 ILE A 19 33.021 -19.178 -20.692 1.00 0.00 H new ATOM 0 HD12 ILE A 19 32.442 -18.936 -22.357 1.00 0.00 H new ATOM 0 HD13 ILE A 19 31.304 -18.819 -20.993 1.00 0.00 H new ATOM 291 N PHE A 20 29.853 -19.361 -24.988 1.00 0.00 N ATOM 292 CA PHE A 20 30.116 -18.416 -26.077 1.00 0.00 C ATOM 293 C PHE A 20 29.318 -17.114 -25.960 1.00 0.00 C ATOM 294 O PHE A 20 29.864 -16.017 -26.049 1.00 0.00 O ATOM 295 CB PHE A 20 29.855 -19.077 -27.443 1.00 0.00 C ATOM 296 CG PHE A 20 30.439 -18.271 -28.581 1.00 0.00 C ATOM 297 CD1 PHE A 20 31.771 -18.327 -28.826 1.00 0.00 C ATOM 298 CD2 PHE A 20 29.685 -17.323 -29.188 1.00 0.00 C ATOM 299 CE1 PHE A 20 32.383 -17.290 -29.443 1.00 0.00 C ATOM 300 CE2 PHE A 20 30.288 -16.309 -29.853 1.00 0.00 C ATOM 301 CZ PHE A 20 31.640 -16.275 -29.947 1.00 0.00 C ATOM 0 H PHE A 20 29.488 -20.268 -25.278 1.00 0.00 H new ATOM 0 HA PHE A 20 31.169 -18.145 -25.995 1.00 0.00 H new ATOM 0 HB2 PHE A 20 30.285 -20.079 -27.450 1.00 0.00 H new ATOM 0 HB3 PHE A 20 28.781 -19.190 -27.592 1.00 0.00 H new ATOM 0 HD1 PHE A 20 32.341 -19.195 -28.530 1.00 0.00 H new ATOM 0 HD2 PHE A 20 28.607 -17.376 -29.142 1.00 0.00 H new ATOM 0 HE1 PHE A 20 33.459 -17.271 -29.533 1.00 0.00 H new ATOM 0 HE2 PHE A 20 29.694 -15.530 -30.307 1.00 0.00 H new ATOM 0 HZ PHE A 20 32.126 -15.437 -30.425 1.00 0.00 H new ATOM 311 N ASP A 21 28.017 -17.225 -25.744 1.00 0.00 N ATOM 312 CA ASP A 21 27.194 -16.005 -25.692 1.00 0.00 C ATOM 313 C ASP A 21 27.441 -15.127 -24.459 1.00 0.00 C ATOM 314 O ASP A 21 27.407 -13.898 -24.526 1.00 0.00 O ATOM 315 CB ASP A 21 25.704 -16.324 -25.837 1.00 0.00 C ATOM 316 CG ASP A 21 24.908 -15.143 -26.386 1.00 0.00 C ATOM 317 OD1 ASP A 21 25.322 -14.555 -27.409 1.00 0.00 O ATOM 318 OD2 ASP A 21 23.861 -14.802 -25.795 1.00 0.00 O ATOM 0 H ASP A 21 27.515 -18.102 -25.606 1.00 0.00 H new ATOM 0 HA ASP A 21 27.517 -15.414 -26.549 1.00 0.00 H new ATOM 0 HB2 ASP A 21 25.581 -17.181 -26.499 1.00 0.00 H new ATOM 0 HB3 ASP A 21 25.300 -16.611 -24.866 1.00 0.00 H new ATOM 323 N ILE A 22 27.681 -15.758 -23.320 1.00 0.00 N ATOM 324 CA ILE A 22 28.038 -14.952 -22.133 1.00 0.00 C ATOM 325 C ILE A 22 29.453 -14.361 -22.255 1.00 0.00 C ATOM 326 O ILE A 22 29.669 -13.163 -22.071 1.00 0.00 O ATOM 327 CB ILE A 22 27.907 -15.632 -20.738 1.00 0.00 C ATOM 328 CG1 ILE A 22 26.482 -16.124 -20.434 1.00 0.00 C ATOM 329 CG2 ILE A 22 28.296 -14.620 -19.652 1.00 0.00 C ATOM 330 CD1 ILE A 22 26.515 -17.166 -19.311 1.00 0.00 C ATOM 0 H ILE A 22 27.642 -16.768 -23.180 1.00 0.00 H new ATOM 0 HA ILE A 22 27.269 -14.179 -22.151 1.00 0.00 H new ATOM 0 HB ILE A 22 28.566 -16.500 -20.749 1.00 0.00 H new ATOM 0 HG12 ILE A 22 25.853 -15.283 -20.142 1.00 0.00 H new ATOM 0 HG13 ILE A 22 26.039 -16.558 -21.331 1.00 0.00 H new ATOM 0 HG21 ILE A 22 28.207 -15.087 -18.671 1.00 0.00 H new ATOM 0 HG22 ILE A 22 29.325 -14.296 -19.808 1.00 0.00 H new ATOM 0 HG23 ILE A 22 27.632 -13.757 -19.704 1.00 0.00 H new ATOM 0 HD11 ILE A 22 25.501 -17.509 -19.103 1.00 0.00 H new ATOM 0 HD12 ILE A 22 27.128 -18.013 -19.618 1.00 0.00 H new ATOM 0 HD13 ILE A 22 26.939 -16.719 -18.412 1.00 0.00 H new ATOM 342 N PHE A 23 30.429 -15.212 -22.546 1.00 0.00 N ATOM 343 CA PHE A 23 31.823 -14.746 -22.534 1.00 0.00 C ATOM 344 C PHE A 23 32.218 -13.910 -23.749 1.00 0.00 C ATOM 345 O PHE A 23 33.090 -13.046 -23.665 1.00 0.00 O ATOM 346 CB PHE A 23 32.828 -15.896 -22.422 1.00 0.00 C ATOM 347 CG PHE A 23 32.905 -16.433 -21.003 1.00 0.00 C ATOM 348 CD1 PHE A 23 31.788 -16.428 -20.236 1.00 0.00 C ATOM 349 CD2 PHE A 23 34.109 -16.473 -20.390 1.00 0.00 C ATOM 350 CE1 PHE A 23 31.865 -16.015 -18.947 1.00 0.00 C ATOM 351 CE2 PHE A 23 34.209 -16.049 -19.103 1.00 0.00 C ATOM 352 CZ PHE A 23 33.083 -15.775 -18.394 1.00 0.00 C ATOM 0 H PHE A 23 30.298 -16.195 -22.786 1.00 0.00 H new ATOM 0 HA PHE A 23 31.864 -14.114 -21.647 1.00 0.00 H new ATOM 0 HB2 PHE A 23 32.541 -16.699 -23.101 1.00 0.00 H new ATOM 0 HB3 PHE A 23 33.813 -15.551 -22.735 1.00 0.00 H new ATOM 0 HD1 PHE A 23 30.843 -16.751 -20.648 1.00 0.00 H new ATOM 0 HD2 PHE A 23 34.979 -16.837 -20.916 1.00 0.00 H new ATOM 0 HE1 PHE A 23 30.966 -15.878 -18.365 1.00 0.00 H new ATOM 0 HE2 PHE A 23 35.180 -15.930 -18.645 1.00 0.00 H new ATOM 0 HZ PHE A 23 33.155 -15.369 -17.396 1.00 0.00 H new ATOM 362 N ASP A 24 31.600 -14.181 -24.897 1.00 0.00 N ATOM 363 CA ASP A 24 31.996 -13.458 -26.104 1.00 0.00 C ATOM 364 C ASP A 24 31.480 -11.995 -26.145 1.00 0.00 C ATOM 365 O ASP A 24 31.149 -11.465 -27.202 1.00 0.00 O ATOM 366 CB ASP A 24 31.547 -14.189 -27.373 1.00 0.00 C ATOM 367 CG ASP A 24 32.177 -13.599 -28.628 1.00 0.00 C ATOM 368 OD1 ASP A 24 33.420 -13.485 -28.688 1.00 0.00 O ATOM 369 OD2 ASP A 24 31.426 -13.260 -29.569 1.00 0.00 O ATOM 0 H ASP A 24 30.854 -14.866 -25.017 1.00 0.00 H new ATOM 0 HA ASP A 24 33.085 -13.423 -26.069 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.812 -15.243 -27.296 1.00 0.00 H new ATOM 0 HB3 ASP A 24 30.461 -14.138 -27.455 1.00 0.00 H new ATOM 437 N ASN A 29 33.566 -9.868 -29.754 1.00 0.00 N ATOM 438 CA ASN A 29 33.503 -10.906 -30.792 1.00 0.00 C ATOM 439 C ASN A 29 34.766 -11.764 -30.853 1.00 0.00 C ATOM 440 O ASN A 29 34.957 -12.559 -31.771 1.00 0.00 O ATOM 441 CB ASN A 29 33.062 -10.359 -32.163 1.00 0.00 C ATOM 442 CG ASN A 29 31.782 -11.027 -32.680 1.00 0.00 C ATOM 443 OD1 ASN A 29 31.755 -11.599 -33.768 1.00 0.00 O ATOM 444 ND2 ASN A 29 30.696 -10.947 -31.926 1.00 0.00 N ATOM 0 HA ASN A 29 32.708 -11.587 -30.488 1.00 0.00 H new ATOM 0 HB2 ASN A 29 32.901 -9.284 -32.086 1.00 0.00 H new ATOM 0 HB3 ASN A 29 33.864 -10.510 -32.886 1.00 0.00 H new ATOM 0 HD21 ASN A 29 29.821 -11.363 -32.246 1.00 0.00 H new ATOM 0 HD22 ASN A 29 30.734 -10.469 -31.026 1.00 0.00 H new ATOM 451 N ILE A 30 35.606 -11.636 -29.833 1.00 0.00 N ATOM 452 CA ILE A 30 36.783 -12.498 -29.737 1.00 0.00 C ATOM 453 C ILE A 30 37.123 -12.697 -28.240 1.00 0.00 C ATOM 454 O ILE A 30 37.678 -11.815 -27.585 1.00 0.00 O ATOM 455 CB ILE A 30 37.991 -12.017 -30.587 1.00 0.00 C ATOM 456 CG1 ILE A 30 38.370 -10.566 -30.220 1.00 0.00 C ATOM 457 CG2 ILE A 30 37.703 -12.114 -32.086 1.00 0.00 C ATOM 458 CD1 ILE A 30 39.365 -9.955 -31.211 1.00 0.00 C ATOM 0 H ILE A 30 35.501 -10.961 -29.076 1.00 0.00 H new ATOM 0 HA ILE A 30 36.542 -13.464 -30.181 1.00 0.00 H new ATOM 0 HB ILE A 30 38.829 -12.676 -30.360 1.00 0.00 H new ATOM 0 HG12 ILE A 30 37.468 -9.954 -30.190 1.00 0.00 H new ATOM 0 HG13 ILE A 30 38.801 -10.548 -29.219 1.00 0.00 H new ATOM 0 HG21 ILE A 30 38.572 -11.769 -32.646 1.00 0.00 H new ATOM 0 HG22 ILE A 30 37.490 -13.150 -32.349 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.842 -11.493 -32.332 1.00 0.00 H new ATOM 0 HD11 ILE A 30 39.599 -8.934 -30.909 1.00 0.00 H new ATOM 0 HD12 ILE A 30 40.279 -10.549 -31.222 1.00 0.00 H new ATOM 0 HD13 ILE A 30 38.926 -9.946 -32.209 1.00 0.00 H new ATOM 470 N ALA A 31 36.751 -13.848 -27.680 1.00 0.00 N ATOM 471 CA ALA A 31 36.970 -14.069 -26.235 1.00 0.00 C ATOM 472 C ALA A 31 38.350 -14.697 -25.928 1.00 0.00 C ATOM 473 O ALA A 31 38.681 -15.746 -26.469 1.00 0.00 O ATOM 474 CB ALA A 31 35.868 -14.934 -25.627 1.00 0.00 C ATOM 0 H ALA A 31 36.311 -14.623 -28.177 1.00 0.00 H new ATOM 0 HA ALA A 31 36.943 -13.080 -25.777 1.00 0.00 H new ATOM 0 HB1 ALA A 31 36.062 -15.076 -24.564 1.00 0.00 H new ATOM 0 HB2 ALA A 31 34.905 -14.441 -25.758 1.00 0.00 H new ATOM 0 HB3 ALA A 31 35.850 -15.904 -26.125 1.00 0.00 H new ATOM 480 N PRO A 32 39.143 -14.155 -24.992 1.00 0.00 N ATOM 481 CA PRO A 32 40.563 -14.552 -24.920 1.00 0.00 C ATOM 482 C PRO A 32 40.805 -15.759 -23.985 1.00 0.00 C ATOM 483 O PRO A 32 39.873 -16.381 -23.479 1.00 0.00 O ATOM 484 CB PRO A 32 41.242 -13.283 -24.384 1.00 0.00 C ATOM 485 CG PRO A 32 40.144 -12.424 -23.750 1.00 0.00 C ATOM 486 CD PRO A 32 38.841 -12.843 -24.420 1.00 0.00 C ATOM 0 HA PRO A 32 40.949 -14.886 -25.883 1.00 0.00 H new ATOM 0 HB2 PRO A 32 42.007 -13.535 -23.650 1.00 0.00 H new ATOM 0 HB3 PRO A 32 41.739 -12.742 -25.189 1.00 0.00 H new ATOM 0 HG2 PRO A 32 40.097 -12.584 -22.673 1.00 0.00 H new ATOM 0 HG3 PRO A 32 40.340 -11.363 -23.907 1.00 0.00 H new ATOM 0 HD2 PRO A 32 38.023 -12.899 -23.702 1.00 0.00 H new ATOM 0 HD3 PRO A 32 38.541 -12.132 -25.189 1.00 0.00 H new ATOM 494 N VAL A 33 42.081 -16.103 -23.772 1.00 0.00 N ATOM 495 CA VAL A 33 42.406 -17.184 -22.787 1.00 0.00 C ATOM 496 C VAL A 33 41.716 -17.009 -21.432 1.00 0.00 C ATOM 497 O VAL A 33 41.195 -17.965 -20.859 1.00 0.00 O ATOM 498 CB VAL A 33 43.922 -17.361 -22.503 1.00 0.00 C ATOM 499 CG1 VAL A 33 44.454 -18.615 -23.190 1.00 0.00 C ATOM 500 CG2 VAL A 33 44.740 -16.125 -22.902 1.00 0.00 C ATOM 0 H VAL A 33 42.885 -15.681 -24.237 1.00 0.00 H new ATOM 0 HA VAL A 33 42.026 -18.072 -23.292 1.00 0.00 H new ATOM 0 HB VAL A 33 44.036 -17.478 -21.425 1.00 0.00 H new ATOM 0 HG11 VAL A 33 45.518 -18.722 -22.979 1.00 0.00 H new ATOM 0 HG12 VAL A 33 43.921 -19.489 -22.816 1.00 0.00 H new ATOM 0 HG13 VAL A 33 44.304 -18.532 -24.266 1.00 0.00 H new ATOM 0 HG21 VAL A 33 45.793 -16.300 -22.683 1.00 0.00 H new ATOM 0 HG22 VAL A 33 44.617 -15.936 -23.969 1.00 0.00 H new ATOM 0 HG23 VAL A 33 44.391 -15.260 -22.338 1.00 0.00 H new ATOM 510 N SER A 34 41.755 -15.802 -20.877 1.00 0.00 N ATOM 511 CA SER A 34 41.106 -15.600 -19.575 1.00 0.00 C ATOM 512 C SER A 34 39.628 -16.015 -19.570 1.00 0.00 C ATOM 513 O SER A 34 39.113 -16.530 -18.578 1.00 0.00 O ATOM 514 CB SER A 34 41.286 -14.182 -19.033 1.00 0.00 C ATOM 515 OG SER A 34 40.664 -13.244 -19.901 1.00 0.00 O ATOM 0 H SER A 34 42.205 -14.980 -21.280 1.00 0.00 H new ATOM 0 HA SER A 34 41.627 -16.271 -18.892 1.00 0.00 H new ATOM 0 HB2 SER A 34 40.853 -14.108 -18.035 1.00 0.00 H new ATOM 0 HB3 SER A 34 42.347 -13.953 -18.938 1.00 0.00 H new ATOM 0 HG SER A 34 40.783 -12.339 -19.544 1.00 0.00 H new ATOM 521 N ASP A 35 38.941 -15.796 -20.690 1.00 0.00 N ATOM 522 CA ASP A 35 37.593 -16.361 -20.834 1.00 0.00 C ATOM 523 C ASP A 35 37.570 -17.896 -20.627 1.00 0.00 C ATOM 524 O ASP A 35 36.760 -18.448 -19.879 1.00 0.00 O ATOM 525 CB ASP A 35 36.935 -15.894 -22.153 1.00 0.00 C ATOM 526 CG ASP A 35 36.568 -17.031 -23.113 1.00 0.00 C ATOM 527 OD1 ASP A 35 37.483 -17.652 -23.697 1.00 0.00 O ATOM 528 OD2 ASP A 35 35.361 -17.298 -23.293 1.00 0.00 O ATOM 0 H ASP A 35 39.276 -15.253 -21.486 1.00 0.00 H new ATOM 0 HA ASP A 35 36.974 -15.967 -20.028 1.00 0.00 H new ATOM 0 HB2 ASP A 35 36.033 -15.330 -21.915 1.00 0.00 H new ATOM 0 HB3 ASP A 35 37.614 -15.210 -22.662 1.00 0.00 H new ATOM 533 N THR A 36 38.515 -18.571 -21.274 1.00 0.00 N ATOM 534 CA THR A 36 38.605 -20.030 -21.157 1.00 0.00 C ATOM 535 C THR A 36 38.893 -20.519 -19.717 1.00 0.00 C ATOM 536 O THR A 36 38.345 -21.530 -19.276 1.00 0.00 O ATOM 537 CB THR A 36 39.594 -20.570 -22.212 1.00 0.00 C ATOM 538 OG1 THR A 36 39.195 -20.115 -23.500 1.00 0.00 O ATOM 539 CG2 THR A 36 39.645 -22.095 -22.244 1.00 0.00 C ATOM 0 H THR A 36 39.220 -18.144 -21.876 1.00 0.00 H new ATOM 0 HA THR A 36 37.623 -20.452 -21.371 1.00 0.00 H new ATOM 0 HB THR A 36 40.584 -20.202 -21.941 1.00 0.00 H new ATOM 0 HG1 THR A 36 38.618 -19.329 -23.405 1.00 0.00 H new ATOM 0 HG21 THR A 36 40.356 -22.419 -23.004 1.00 0.00 H new ATOM 0 HG22 THR A 36 39.959 -22.469 -21.270 1.00 0.00 H new ATOM 0 HG23 THR A 36 38.656 -22.487 -22.482 1.00 0.00 H new ATOM 547 N MET A 37 39.728 -19.796 -18.963 1.00 0.00 N ATOM 548 CA MET A 37 39.955 -20.188 -17.558 1.00 0.00 C ATOM 549 C MET A 37 38.730 -19.912 -16.694 1.00 0.00 C ATOM 550 O MET A 37 38.243 -20.789 -15.975 1.00 0.00 O ATOM 551 CB MET A 37 41.167 -19.521 -16.873 1.00 0.00 C ATOM 552 CG MET A 37 42.377 -19.325 -17.784 1.00 0.00 C ATOM 553 SD MET A 37 42.976 -20.919 -18.352 1.00 0.00 S ATOM 554 CE MET A 37 42.539 -20.752 -20.083 1.00 0.00 C ATOM 0 H MET A 37 40.240 -18.972 -19.278 1.00 0.00 H new ATOM 0 HA MET A 37 40.164 -21.255 -17.629 1.00 0.00 H new ATOM 0 HB2 MET A 37 40.860 -18.551 -16.483 1.00 0.00 H new ATOM 0 HB3 MET A 37 41.465 -20.128 -16.018 1.00 0.00 H new ATOM 0 HG2 MET A 37 42.104 -18.704 -18.637 1.00 0.00 H new ATOM 0 HG3 MET A 37 43.167 -18.800 -17.247 1.00 0.00 H new ATOM 0 HE1 MET A 37 43.326 -21.184 -20.700 1.00 0.00 H new ATOM 0 HE2 MET A 37 41.601 -21.274 -20.273 1.00 0.00 H new ATOM 0 HE3 MET A 37 42.423 -19.696 -20.329 1.00 0.00 H new ATOM 564 N ASP A 38 38.264 -18.660 -16.728 1.00 0.00 N ATOM 565 CA ASP A 38 37.015 -18.318 -16.036 1.00 0.00 C ATOM 566 C ASP A 38 35.943 -19.391 -16.153 1.00 0.00 C ATOM 567 O ASP A 38 35.380 -19.843 -15.157 1.00 0.00 O ATOM 568 CB ASP A 38 36.420 -17.009 -16.547 1.00 0.00 C ATOM 569 CG ASP A 38 36.916 -15.802 -15.766 1.00 0.00 C ATOM 570 OD1 ASP A 38 37.988 -15.257 -16.106 1.00 0.00 O ATOM 571 OD2 ASP A 38 36.226 -15.388 -14.810 1.00 0.00 O ATOM 0 H ASP A 38 38.717 -17.885 -17.212 1.00 0.00 H new ATOM 0 HA ASP A 38 37.304 -18.223 -14.989 1.00 0.00 H new ATOM 0 HB2 ASP A 38 36.672 -16.885 -17.600 1.00 0.00 H new ATOM 0 HB3 ASP A 38 35.333 -17.058 -16.483 1.00 0.00 H new ATOM 576 N MET A 39 35.682 -19.833 -17.377 1.00 0.00 N ATOM 577 CA MET A 39 34.532 -20.709 -17.561 1.00 0.00 C ATOM 578 C MET A 39 34.811 -22.195 -17.449 1.00 0.00 C ATOM 579 O MET A 39 34.061 -22.912 -16.790 1.00 0.00 O ATOM 580 CB MET A 39 33.674 -20.259 -18.721 1.00 0.00 C ATOM 581 CG MET A 39 32.800 -19.085 -18.253 1.00 0.00 C ATOM 582 SD MET A 39 31.598 -19.644 -17.027 1.00 0.00 S ATOM 583 CE MET A 39 30.084 -19.022 -17.775 1.00 0.00 C ATOM 0 H MET A 39 36.218 -19.615 -18.217 1.00 0.00 H new ATOM 0 HA MET A 39 33.903 -20.583 -16.680 1.00 0.00 H new ATOM 0 HB2 MET A 39 34.300 -19.955 -19.560 1.00 0.00 H new ATOM 0 HB3 MET A 39 33.049 -21.081 -19.071 1.00 0.00 H new ATOM 0 HG2 MET A 39 33.428 -18.304 -17.826 1.00 0.00 H new ATOM 0 HG3 MET A 39 32.282 -18.647 -19.106 1.00 0.00 H new ATOM 0 HE1 MET A 39 29.222 -19.442 -17.256 1.00 0.00 H new ATOM 0 HE2 MET A 39 30.060 -17.935 -17.697 1.00 0.00 H new ATOM 0 HE3 MET A 39 30.052 -19.311 -18.825 1.00 0.00 H new ATOM 593 N LEU A 40 35.894 -22.714 -17.998 1.00 0.00 N ATOM 594 CA LEU A 40 36.174 -24.120 -17.675 1.00 0.00 C ATOM 595 C LEU A 40 36.420 -24.337 -16.159 1.00 0.00 C ATOM 596 O LEU A 40 36.444 -25.466 -15.669 1.00 0.00 O ATOM 597 CB LEU A 40 37.215 -24.784 -18.595 1.00 0.00 C ATOM 598 CG LEU A 40 36.719 -25.067 -20.040 1.00 0.00 C ATOM 599 CD1 LEU A 40 35.216 -24.856 -20.246 1.00 0.00 C ATOM 600 CD2 LEU A 40 37.491 -24.213 -21.038 1.00 0.00 C ATOM 0 H LEU A 40 36.551 -22.241 -18.619 1.00 0.00 H new ATOM 0 HA LEU A 40 35.259 -24.668 -17.902 1.00 0.00 H new ATOM 0 HB2 LEU A 40 38.095 -24.143 -18.647 1.00 0.00 H new ATOM 0 HB3 LEU A 40 37.531 -25.724 -18.144 1.00 0.00 H new ATOM 0 HG LEU A 40 36.906 -26.127 -20.209 1.00 0.00 H new ATOM 0 HD11 LEU A 40 34.956 -25.076 -21.282 1.00 0.00 H new ATOM 0 HD12 LEU A 40 34.661 -25.521 -19.584 1.00 0.00 H new ATOM 0 HD13 LEU A 40 34.959 -23.821 -20.019 1.00 0.00 H new ATOM 0 HD21 LEU A 40 37.134 -24.420 -22.047 1.00 0.00 H new ATOM 0 HD22 LEU A 40 37.339 -23.158 -20.809 1.00 0.00 H new ATOM 0 HD23 LEU A 40 38.553 -24.448 -20.973 1.00 0.00 H new ATOM 612 N THR A 41 36.551 -23.243 -15.401 1.00 0.00 N ATOM 613 CA THR A 41 36.442 -23.358 -13.946 1.00 0.00 C ATOM 614 C THR A 41 34.978 -23.189 -13.466 1.00 0.00 C ATOM 615 O THR A 41 34.449 -24.030 -12.739 1.00 0.00 O ATOM 616 CB THR A 41 37.368 -22.371 -13.211 1.00 0.00 C ATOM 617 OG1 THR A 41 38.643 -22.361 -13.837 1.00 0.00 O ATOM 618 CG2 THR A 41 37.545 -22.768 -11.743 1.00 0.00 C ATOM 0 H THR A 41 36.726 -22.302 -15.755 1.00 0.00 H new ATOM 0 HA THR A 41 36.769 -24.367 -13.694 1.00 0.00 H new ATOM 0 HB THR A 41 36.912 -21.382 -13.256 1.00 0.00 H new ATOM 0 HG1 THR A 41 38.658 -21.675 -14.537 1.00 0.00 H new ATOM 0 HG21 THR A 41 38.204 -22.053 -11.250 1.00 0.00 H new ATOM 0 HG22 THR A 41 36.574 -22.770 -11.247 1.00 0.00 H new ATOM 0 HG23 THR A 41 37.983 -23.764 -11.686 1.00 0.00 H new ATOM 626 N LYS A 42 34.311 -22.108 -13.889 1.00 0.00 N ATOM 627 CA LYS A 42 32.963 -21.835 -13.354 1.00 0.00 C ATOM 628 C LYS A 42 31.766 -22.257 -14.236 1.00 0.00 C ATOM 629 O LYS A 42 30.672 -22.492 -13.725 1.00 0.00 O ATOM 630 CB LYS A 42 32.835 -20.384 -12.852 1.00 0.00 C ATOM 631 CG LYS A 42 32.592 -19.384 -13.991 1.00 0.00 C ATOM 632 CD LYS A 42 33.171 -18.008 -13.645 1.00 0.00 C ATOM 633 CE LYS A 42 32.849 -16.984 -14.735 1.00 0.00 C ATOM 634 NZ LYS A 42 33.565 -15.722 -14.463 1.00 0.00 N ATOM 0 H LYS A 42 34.659 -21.432 -14.569 1.00 0.00 H new ATOM 0 HA LYS A 42 32.885 -22.512 -12.504 1.00 0.00 H new ATOM 0 HB2 LYS A 42 32.014 -20.322 -12.138 1.00 0.00 H new ATOM 0 HB3 LYS A 42 33.744 -20.107 -12.318 1.00 0.00 H new ATOM 0 HG2 LYS A 42 33.049 -19.754 -14.909 1.00 0.00 H new ATOM 0 HG3 LYS A 42 31.522 -19.295 -14.180 1.00 0.00 H new ATOM 0 HD2 LYS A 42 32.765 -17.669 -12.692 1.00 0.00 H new ATOM 0 HD3 LYS A 42 34.251 -18.085 -13.522 1.00 0.00 H new ATOM 0 HE2 LYS A 42 33.139 -17.374 -15.711 1.00 0.00 H new ATOM 0 HE3 LYS A 42 31.775 -16.803 -14.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 33.048 -14.929 -14.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 33.631 -15.575 -13.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 34.522 -15.772 -14.867 1.00 0.00 H new ATOM 648 N LEU A 43 31.941 -22.315 -15.558 1.00 0.00 N ATOM 649 CA LEU A 43 30.849 -22.786 -16.407 1.00 0.00 C ATOM 650 C LEU A 43 30.365 -24.185 -15.995 1.00 0.00 C ATOM 651 O LEU A 43 29.167 -24.469 -16.008 1.00 0.00 O ATOM 652 CB LEU A 43 31.264 -22.642 -17.892 1.00 0.00 C ATOM 653 CG LEU A 43 30.512 -23.537 -18.873 1.00 0.00 C ATOM 654 CD1 LEU A 43 29.564 -22.704 -19.735 1.00 0.00 C ATOM 655 CD2 LEU A 43 31.498 -24.255 -19.798 1.00 0.00 C ATOM 0 H LEU A 43 32.796 -22.052 -16.048 1.00 0.00 H new ATOM 0 HA LEU A 43 29.966 -22.162 -16.269 1.00 0.00 H new ATOM 0 HB2 LEU A 43 31.122 -21.604 -18.192 1.00 0.00 H new ATOM 0 HB3 LEU A 43 32.330 -22.855 -17.976 1.00 0.00 H new ATOM 0 HG LEU A 43 29.944 -24.266 -18.295 1.00 0.00 H new ATOM 0 HD11 LEU A 43 29.035 -23.357 -20.429 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.843 -22.195 -19.095 1.00 0.00 H new ATOM 0 HD13 LEU A 43 30.137 -21.965 -20.296 1.00 0.00 H new ATOM 0 HD21 LEU A 43 30.949 -24.890 -20.493 1.00 0.00 H new ATOM 0 HD22 LEU A 43 32.074 -23.518 -20.358 1.00 0.00 H new ATOM 0 HD23 LEU A 43 32.174 -24.869 -19.203 1.00 0.00 H new ATOM 667 N GLY A 44 31.293 -25.059 -15.598 1.00 0.00 N ATOM 668 CA GLY A 44 30.855 -26.352 -15.052 1.00 0.00 C ATOM 669 C GLY A 44 31.522 -27.543 -15.732 1.00 0.00 C ATOM 670 O GLY A 44 31.858 -28.533 -15.081 1.00 0.00 O ATOM 0 H GLY A 44 32.302 -24.912 -15.638 1.00 0.00 H new ATOM 0 HA2 GLY A 44 31.073 -26.382 -13.984 1.00 0.00 H new ATOM 0 HA3 GLY A 44 29.774 -26.438 -15.160 1.00 0.00 H new ATOM 674 N GLN A 45 31.718 -27.468 -17.044 1.00 0.00 N ATOM 675 CA GLN A 45 32.246 -28.648 -17.732 1.00 0.00 C ATOM 676 C GLN A 45 33.761 -28.580 -17.916 1.00 0.00 C ATOM 677 O GLN A 45 34.270 -28.178 -18.963 1.00 0.00 O ATOM 678 CB GLN A 45 31.522 -28.930 -19.060 1.00 0.00 C ATOM 679 CG GLN A 45 31.776 -30.360 -19.566 1.00 0.00 C ATOM 680 CD GLN A 45 30.874 -31.379 -18.876 1.00 0.00 C ATOM 681 OE1 GLN A 45 31.030 -31.689 -17.695 1.00 0.00 O ATOM 682 NE2 GLN A 45 29.925 -31.926 -19.608 1.00 0.00 N ATOM 0 H GLN A 45 31.533 -26.653 -17.629 1.00 0.00 H new ATOM 0 HA GLN A 45 32.042 -29.496 -17.079 1.00 0.00 H new ATOM 0 HB2 GLN A 45 30.451 -28.778 -18.928 1.00 0.00 H new ATOM 0 HB3 GLN A 45 31.855 -28.215 -19.813 1.00 0.00 H new ATOM 0 HG2 GLN A 45 31.609 -30.399 -20.643 1.00 0.00 H new ATOM 0 HG3 GLN A 45 32.819 -30.625 -19.395 1.00 0.00 H new ATOM 0 HE21 GLN A 45 29.814 -31.654 -20.585 1.00 0.00 H new ATOM 0 HE22 GLN A 45 29.301 -32.621 -19.198 1.00 0.00 H new ATOM 691 N THR A 46 34.492 -28.960 -16.874 1.00 0.00 N ATOM 692 CA THR A 46 35.949 -29.046 -17.024 1.00 0.00 C ATOM 693 C THR A 46 36.327 -30.398 -17.695 1.00 0.00 C ATOM 694 O THR A 46 35.495 -31.304 -17.758 1.00 0.00 O ATOM 695 CB THR A 46 36.719 -28.826 -15.702 1.00 0.00 C ATOM 696 OG1 THR A 46 38.077 -29.210 -15.858 1.00 0.00 O ATOM 697 CG2 THR A 46 36.110 -29.625 -14.542 1.00 0.00 C ATOM 0 H THR A 46 34.126 -29.205 -15.954 1.00 0.00 H new ATOM 0 HA THR A 46 36.259 -28.225 -17.671 1.00 0.00 H new ATOM 0 HB THR A 46 36.649 -27.765 -15.464 1.00 0.00 H new ATOM 0 HG1 THR A 46 38.557 -29.065 -15.016 1.00 0.00 H new ATOM 0 HG21 THR A 46 36.683 -29.440 -13.633 1.00 0.00 H new ATOM 0 HG22 THR A 46 35.076 -29.314 -14.389 1.00 0.00 H new ATOM 0 HG23 THR A 46 36.138 -30.689 -14.779 1.00 0.00 H new ATOM 705 N TYR A 47 37.557 -30.578 -18.200 1.00 0.00 N ATOM 706 CA TYR A 47 37.799 -31.789 -18.980 1.00 0.00 C ATOM 707 C TYR A 47 38.951 -32.617 -18.368 1.00 0.00 C ATOM 708 O TYR A 47 39.080 -32.697 -17.146 1.00 0.00 O ATOM 709 CB TYR A 47 37.959 -31.455 -20.465 1.00 0.00 C ATOM 710 CG TYR A 47 36.658 -30.939 -21.089 1.00 0.00 C ATOM 711 CD1 TYR A 47 35.741 -31.804 -21.600 1.00 0.00 C ATOM 712 CD2 TYR A 47 36.464 -29.600 -21.224 1.00 0.00 C ATOM 713 CE1 TYR A 47 34.538 -31.333 -22.028 1.00 0.00 C ATOM 714 CE2 TYR A 47 35.273 -29.130 -21.684 1.00 0.00 C ATOM 715 CZ TYR A 47 34.318 -29.998 -22.093 1.00 0.00 C ATOM 716 OH TYR A 47 33.132 -29.518 -22.587 1.00 0.00 O ATOM 0 H TYR A 47 38.349 -29.944 -18.091 1.00 0.00 H new ATOM 0 HA TYR A 47 36.927 -32.441 -18.929 1.00 0.00 H new ATOM 0 HB2 TYR A 47 38.739 -30.703 -20.584 1.00 0.00 H new ATOM 0 HB3 TYR A 47 38.289 -32.345 -21.002 1.00 0.00 H new ATOM 0 HD1 TYR A 47 35.966 -32.858 -21.666 1.00 0.00 H new ATOM 0 HD2 TYR A 47 37.254 -28.910 -20.966 1.00 0.00 H new ATOM 0 HE1 TYR A 47 33.759 -32.023 -22.316 1.00 0.00 H new ATOM 0 HE2 TYR A 47 35.090 -28.066 -21.723 1.00 0.00 H new ATOM 0 HH TYR A 47 32.844 -30.072 -23.342 1.00 0.00 H new ATOM 726 N THR A 48 39.784 -33.261 -19.187 1.00 0.00 N ATOM 727 CA THR A 48 40.856 -34.089 -18.599 1.00 0.00 C ATOM 728 C THR A 48 41.991 -34.341 -19.605 1.00 0.00 C ATOM 729 O THR A 48 41.769 -34.402 -20.814 1.00 0.00 O ATOM 730 CB THR A 48 40.341 -35.432 -18.030 1.00 0.00 C ATOM 731 OG1 THR A 48 39.178 -35.205 -17.246 1.00 0.00 O ATOM 732 CG2 THR A 48 41.390 -36.109 -17.143 1.00 0.00 C ATOM 0 H THR A 48 39.750 -33.235 -20.206 1.00 0.00 H new ATOM 0 HA THR A 48 41.248 -33.512 -17.761 1.00 0.00 H new ATOM 0 HB THR A 48 40.120 -36.082 -18.877 1.00 0.00 H new ATOM 0 HG1 THR A 48 39.237 -34.324 -16.820 1.00 0.00 H new ATOM 0 HG21 THR A 48 40.992 -37.049 -16.762 1.00 0.00 H new ATOM 0 HG22 THR A 48 42.289 -36.306 -17.728 1.00 0.00 H new ATOM 0 HG23 THR A 48 41.637 -35.454 -16.307 1.00 0.00 H new ATOM 740 N LYS A 49 43.214 -34.508 -19.096 1.00 0.00 N ATOM 741 CA LYS A 49 44.357 -34.785 -19.989 1.00 0.00 C ATOM 742 C LYS A 49 44.983 -33.505 -20.562 1.00 0.00 C ATOM 743 O LYS A 49 44.392 -32.425 -20.532 1.00 0.00 O ATOM 744 CB LYS A 49 44.043 -35.820 -21.093 1.00 0.00 C ATOM 745 CG LYS A 49 45.260 -36.668 -21.478 1.00 0.00 C ATOM 746 CD LYS A 49 44.852 -37.755 -22.478 1.00 0.00 C ATOM 747 CE LYS A 49 46.057 -38.576 -22.943 1.00 0.00 C ATOM 748 NZ LYS A 49 46.911 -37.760 -23.826 1.00 0.00 N ATOM 0 H LYS A 49 43.442 -34.460 -18.103 1.00 0.00 H new ATOM 0 HA LYS A 49 45.109 -35.249 -19.351 1.00 0.00 H new ATOM 0 HB2 LYS A 49 43.242 -36.476 -20.752 1.00 0.00 H new ATOM 0 HB3 LYS A 49 43.674 -35.300 -21.977 1.00 0.00 H new ATOM 0 HG2 LYS A 49 46.031 -36.033 -21.914 1.00 0.00 H new ATOM 0 HG3 LYS A 49 45.690 -37.126 -20.587 1.00 0.00 H new ATOM 0 HD2 LYS A 49 44.117 -38.416 -22.018 1.00 0.00 H new ATOM 0 HD3 LYS A 49 44.371 -37.294 -23.341 1.00 0.00 H new ATOM 0 HE2 LYS A 49 46.631 -38.916 -22.081 1.00 0.00 H new ATOM 0 HE3 LYS A 49 45.719 -39.467 -23.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 47.700 -38.339 -24.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 46.349 -37.414 -24.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 47.288 -36.950 -23.293 1.00 0.00 H new ATOM 762 N ARG A 50 46.194 -33.625 -21.100 1.00 0.00 N ATOM 763 CA ARG A 50 46.867 -32.432 -21.645 1.00 0.00 C ATOM 764 C ARG A 50 46.245 -31.877 -22.943 1.00 0.00 C ATOM 765 O ARG A 50 46.580 -30.777 -23.388 1.00 0.00 O ATOM 766 CB ARG A 50 48.373 -32.667 -21.850 1.00 0.00 C ATOM 767 CG ARG A 50 49.110 -32.760 -20.505 1.00 0.00 C ATOM 768 CD ARG A 50 50.597 -32.391 -20.637 1.00 0.00 C ATOM 769 NE ARG A 50 50.779 -30.975 -21.015 1.00 0.00 N ATOM 770 CZ ARG A 50 50.282 -30.015 -20.240 1.00 0.00 C ATOM 771 NH1 ARG A 50 50.169 -30.186 -18.938 1.00 0.00 N ATOM 772 NH2 ARG A 50 49.900 -28.878 -20.782 1.00 0.00 N ATOM 0 H ARG A 50 46.719 -34.496 -21.173 1.00 0.00 H new ATOM 0 HA ARG A 50 46.716 -31.670 -20.880 1.00 0.00 H new ATOM 0 HB2 ARG A 50 48.526 -33.586 -22.416 1.00 0.00 H new ATOM 0 HB3 ARG A 50 48.793 -31.854 -22.442 1.00 0.00 H new ATOM 0 HG2 ARG A 50 48.634 -32.095 -19.784 1.00 0.00 H new ATOM 0 HG3 ARG A 50 49.021 -33.773 -20.112 1.00 0.00 H new ATOM 0 HD2 ARG A 50 51.104 -32.583 -19.692 1.00 0.00 H new ATOM 0 HD3 ARG A 50 51.065 -33.030 -21.386 1.00 0.00 H new ATOM 0 HE ARG A 50 51.284 -30.734 -21.868 1.00 0.00 H new ATOM 0 HH11 ARG A 50 50.465 -31.064 -18.511 1.00 0.00 H new ATOM 0 HH12 ARG A 50 49.786 -29.440 -18.357 1.00 0.00 H new ATOM 0 HH21 ARG A 50 49.986 -28.739 -21.789 1.00 0.00 H new ATOM 0 HH22 ARG A 50 49.518 -28.136 -20.195 1.00 0.00 H new ATOM 786 N GLU A 51 45.319 -32.610 -23.548 1.00 0.00 N ATOM 787 CA GLU A 51 44.732 -32.133 -24.807 1.00 0.00 C ATOM 788 C GLU A 51 43.535 -31.182 -24.589 1.00 0.00 C ATOM 789 O GLU A 51 43.353 -30.199 -25.310 1.00 0.00 O ATOM 790 CB GLU A 51 44.441 -33.281 -25.786 1.00 0.00 C ATOM 791 CG GLU A 51 45.730 -33.974 -26.260 1.00 0.00 C ATOM 792 CD GLU A 51 46.103 -35.146 -25.362 1.00 0.00 C ATOM 793 OE1 GLU A 51 45.538 -36.247 -25.542 1.00 0.00 O ATOM 794 OE2 GLU A 51 46.968 -34.977 -24.475 1.00 0.00 O ATOM 0 H GLU A 51 44.964 -33.504 -23.209 1.00 0.00 H new ATOM 0 HA GLU A 51 45.491 -31.520 -25.293 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.792 -34.012 -25.305 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.899 -32.893 -26.649 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.598 -34.327 -27.283 1.00 0.00 H new ATOM 0 HG3 GLU A 51 46.547 -33.252 -26.274 1.00 0.00 H new ATOM 801 N THR A 52 42.681 -31.443 -23.608 1.00 0.00 N ATOM 802 CA THR A 52 41.728 -30.392 -23.242 1.00 0.00 C ATOM 803 C THR A 52 42.473 -29.173 -22.644 1.00 0.00 C ATOM 804 O THR A 52 42.069 -28.020 -22.793 1.00 0.00 O ATOM 805 CB THR A 52 40.554 -30.856 -22.377 1.00 0.00 C ATOM 806 OG1 THR A 52 40.816 -32.141 -21.846 1.00 0.00 O ATOM 807 CG2 THR A 52 39.248 -30.932 -23.194 1.00 0.00 C ATOM 0 H THR A 52 42.622 -32.313 -23.078 1.00 0.00 H new ATOM 0 HA THR A 52 41.246 -30.083 -24.170 1.00 0.00 H new ATOM 0 HB THR A 52 40.436 -30.127 -21.575 1.00 0.00 H new ATOM 0 HG1 THR A 52 40.126 -32.767 -22.149 1.00 0.00 H new ATOM 0 HG21 THR A 52 38.434 -31.265 -22.549 1.00 0.00 H new ATOM 0 HG22 THR A 52 39.013 -29.947 -23.596 1.00 0.00 H new ATOM 0 HG23 THR A 52 39.373 -31.638 -24.015 1.00 0.00 H new ATOM 815 N GLU A 53 43.599 -29.431 -21.983 1.00 0.00 N ATOM 816 CA GLU A 53 44.552 -28.333 -21.725 1.00 0.00 C ATOM 817 C GLU A 53 44.898 -27.586 -23.032 1.00 0.00 C ATOM 818 O GLU A 53 45.135 -26.380 -23.038 1.00 0.00 O ATOM 819 CB GLU A 53 45.844 -28.790 -21.033 1.00 0.00 C ATOM 820 CG GLU A 53 45.870 -28.403 -19.545 1.00 0.00 C ATOM 821 CD GLU A 53 47.293 -28.371 -19.010 1.00 0.00 C ATOM 822 OE1 GLU A 53 48.046 -27.434 -19.355 1.00 0.00 O ATOM 823 OE2 GLU A 53 47.671 -29.283 -18.246 1.00 0.00 O ATOM 0 H GLU A 53 43.875 -30.346 -21.626 1.00 0.00 H new ATOM 0 HA GLU A 53 44.044 -27.659 -21.036 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.943 -29.871 -21.128 1.00 0.00 H new ATOM 0 HB3 GLU A 53 46.702 -28.346 -21.538 1.00 0.00 H new ATOM 0 HG2 GLU A 53 45.407 -27.425 -19.413 1.00 0.00 H new ATOM 0 HG3 GLU A 53 45.279 -29.116 -18.971 1.00 0.00 H new ATOM 830 N ALA A 54 44.977 -28.334 -24.137 1.00 0.00 N ATOM 831 CA ALA A 54 45.024 -27.690 -25.468 1.00 0.00 C ATOM 832 C ALA A 54 43.887 -26.701 -25.667 1.00 0.00 C ATOM 833 O ALA A 54 44.103 -25.597 -26.154 1.00 0.00 O ATOM 834 CB ALA A 54 44.938 -28.645 -26.664 1.00 0.00 C ATOM 0 H ALA A 54 45.009 -29.353 -24.148 1.00 0.00 H new ATOM 0 HA ALA A 54 46.004 -27.212 -25.455 1.00 0.00 H new ATOM 0 HB1 ALA A 54 44.981 -28.073 -27.591 1.00 0.00 H new ATOM 0 HB2 ALA A 54 45.773 -29.345 -26.631 1.00 0.00 H new ATOM 0 HB3 ALA A 54 43.999 -29.197 -26.622 1.00 0.00 H new ATOM 840 N ILE A 55 42.652 -27.111 -25.356 1.00 0.00 N ATOM 841 CA ILE A 55 41.554 -26.106 -25.320 1.00 0.00 C ATOM 842 C ILE A 55 42.053 -24.799 -24.664 1.00 0.00 C ATOM 843 O ILE A 55 42.100 -23.720 -25.267 1.00 0.00 O ATOM 844 CB ILE A 55 40.306 -26.475 -24.466 1.00 0.00 C ATOM 845 CG1 ILE A 55 39.573 -27.741 -24.831 1.00 0.00 C ATOM 846 CG2 ILE A 55 39.309 -25.318 -24.465 1.00 0.00 C ATOM 847 CD1 ILE A 55 38.588 -28.163 -23.745 1.00 0.00 C ATOM 0 H ILE A 55 42.384 -28.070 -25.136 1.00 0.00 H new ATOM 0 HA ILE A 55 41.268 -26.033 -26.369 1.00 0.00 H new ATOM 0 HB ILE A 55 40.727 -26.668 -23.479 1.00 0.00 H new ATOM 0 HG12 ILE A 55 39.037 -27.593 -25.769 1.00 0.00 H new ATOM 0 HG13 ILE A 55 40.293 -28.542 -24.999 1.00 0.00 H new ATOM 0 HG21 ILE A 55 38.440 -25.587 -23.865 1.00 0.00 H new ATOM 0 HG22 ILE A 55 39.781 -24.431 -24.043 1.00 0.00 H new ATOM 0 HG23 ILE A 55 38.993 -25.109 -25.487 1.00 0.00 H new ATOM 0 HD11 ILE A 55 38.082 -29.079 -24.049 1.00 0.00 H new ATOM 0 HD12 ILE A 55 39.126 -28.338 -22.813 1.00 0.00 H new ATOM 0 HD13 ILE A 55 37.851 -27.374 -23.596 1.00 0.00 H new ATOM 859 N MET A 56 42.478 -24.961 -23.415 1.00 0.00 N ATOM 860 CA MET A 56 42.860 -23.806 -22.599 1.00 0.00 C ATOM 861 C MET A 56 44.054 -23.008 -23.132 1.00 0.00 C ATOM 862 O MET A 56 44.070 -21.778 -23.093 1.00 0.00 O ATOM 863 CB MET A 56 43.073 -24.258 -21.150 1.00 0.00 C ATOM 864 CG MET A 56 41.798 -24.897 -20.580 1.00 0.00 C ATOM 865 SD MET A 56 42.017 -26.680 -20.380 1.00 0.00 S ATOM 866 CE MET A 56 40.299 -27.245 -20.487 1.00 0.00 C ATOM 0 H MET A 56 42.567 -25.864 -22.949 1.00 0.00 H new ATOM 0 HA MET A 56 42.033 -23.098 -22.650 1.00 0.00 H new ATOM 0 HB2 MET A 56 43.894 -24.974 -21.105 1.00 0.00 H new ATOM 0 HB3 MET A 56 43.361 -23.404 -20.537 1.00 0.00 H new ATOM 0 HG2 MET A 56 41.556 -24.444 -19.618 1.00 0.00 H new ATOM 0 HG3 MET A 56 40.957 -24.700 -21.245 1.00 0.00 H new ATOM 0 HE1 MET A 56 40.278 -28.331 -20.578 1.00 0.00 H new ATOM 0 HE2 MET A 56 39.761 -26.946 -19.588 1.00 0.00 H new ATOM 0 HE3 MET A 56 39.823 -26.799 -21.360 1.00 0.00 H new ATOM 876 N LYS A 57 45.055 -23.709 -23.634 1.00 0.00 N ATOM 877 CA LYS A 57 46.232 -23.014 -24.172 1.00 0.00 C ATOM 878 C LYS A 57 46.023 -22.469 -25.596 1.00 0.00 C ATOM 879 O LYS A 57 46.470 -21.371 -25.931 1.00 0.00 O ATOM 880 CB LYS A 57 47.497 -23.891 -24.120 1.00 0.00 C ATOM 881 CG LYS A 57 48.307 -23.677 -22.832 1.00 0.00 C ATOM 882 CD LYS A 57 47.609 -24.290 -21.613 1.00 0.00 C ATOM 883 CE LYS A 57 48.482 -24.147 -20.366 1.00 0.00 C ATOM 884 NZ LYS A 57 47.825 -24.796 -19.217 1.00 0.00 N ATOM 0 H LYS A 57 45.088 -24.727 -23.685 1.00 0.00 H new ATOM 0 HA LYS A 57 46.376 -22.155 -23.517 1.00 0.00 H new ATOM 0 HB2 LYS A 57 47.212 -24.940 -24.196 1.00 0.00 H new ATOM 0 HB3 LYS A 57 48.126 -23.668 -24.982 1.00 0.00 H new ATOM 0 HG2 LYS A 57 49.296 -24.121 -22.946 1.00 0.00 H new ATOM 0 HG3 LYS A 57 48.454 -22.609 -22.668 1.00 0.00 H new ATOM 0 HD2 LYS A 57 46.650 -23.798 -21.451 1.00 0.00 H new ATOM 0 HD3 LYS A 57 47.400 -25.344 -21.798 1.00 0.00 H new ATOM 0 HE2 LYS A 57 49.458 -24.599 -20.541 1.00 0.00 H new ATOM 0 HE3 LYS A 57 48.653 -23.092 -20.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 48.424 -24.695 -18.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 46.904 -24.346 -19.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 47.684 -25.806 -19.423 1.00 0.00 H new ATOM 898 N GLU A 58 45.353 -23.246 -26.445 1.00 0.00 N ATOM 899 CA GLU A 58 45.134 -22.797 -27.832 1.00 0.00 C ATOM 900 C GLU A 58 44.188 -21.593 -27.970 1.00 0.00 C ATOM 901 O GLU A 58 44.273 -20.834 -28.936 1.00 0.00 O ATOM 902 CB GLU A 58 44.720 -23.955 -28.760 1.00 0.00 C ATOM 903 CG GLU A 58 43.212 -24.254 -28.700 1.00 0.00 C ATOM 904 CD GLU A 58 42.874 -25.570 -29.389 1.00 0.00 C ATOM 905 OE1 GLU A 58 43.356 -25.805 -30.518 1.00 0.00 O ATOM 906 OE2 GLU A 58 42.112 -26.372 -28.805 1.00 0.00 O ATOM 0 H GLU A 58 44.962 -24.160 -26.216 1.00 0.00 H new ATOM 0 HA GLU A 58 46.108 -22.435 -28.161 1.00 0.00 H new ATOM 0 HB2 GLU A 58 44.997 -23.710 -29.785 1.00 0.00 H new ATOM 0 HB3 GLU A 58 45.275 -24.852 -28.485 1.00 0.00 H new ATOM 0 HG2 GLU A 58 42.889 -24.294 -27.660 1.00 0.00 H new ATOM 0 HG3 GLU A 58 42.660 -23.442 -29.174 1.00 0.00 H new ATOM 913 N ALA A 59 43.270 -21.419 -27.016 1.00 0.00 N ATOM 914 CA ALA A 59 42.378 -20.249 -27.079 1.00 0.00 C ATOM 915 C ALA A 59 43.120 -18.925 -27.336 1.00 0.00 C ATOM 916 O ALA A 59 42.737 -18.130 -28.193 1.00 0.00 O ATOM 917 CB ALA A 59 41.474 -20.158 -25.848 1.00 0.00 C ATOM 0 H ALA A 59 43.124 -22.041 -26.221 1.00 0.00 H new ATOM 0 HA ALA A 59 41.742 -20.409 -27.950 1.00 0.00 H new ATOM 0 HB1 ALA A 59 40.831 -19.282 -25.933 1.00 0.00 H new ATOM 0 HB2 ALA A 59 40.858 -21.055 -25.782 1.00 0.00 H new ATOM 0 HB3 ALA A 59 42.088 -20.072 -24.951 1.00 0.00 H new ATOM 923 N ARG A 60 44.178 -18.675 -26.571 1.00 0.00 N ATOM 924 CA ARG A 60 45.094 -17.572 -26.953 1.00 0.00 C ATOM 925 C ARG A 60 45.674 -17.787 -28.357 1.00 0.00 C ATOM 926 O ARG A 60 45.037 -17.441 -29.349 1.00 0.00 O ATOM 927 CB ARG A 60 46.169 -17.321 -25.884 1.00 0.00 C ATOM 928 CG ARG A 60 46.913 -15.999 -26.116 1.00 0.00 C ATOM 929 CD ARG A 60 47.899 -15.717 -24.977 1.00 0.00 C ATOM 930 NE ARG A 60 48.046 -14.265 -24.786 1.00 0.00 N ATOM 931 CZ ARG A 60 48.966 -13.808 -23.941 1.00 0.00 C ATOM 932 NH1 ARG A 60 49.372 -14.540 -22.920 1.00 0.00 N ATOM 933 NH2 ARG A 60 49.462 -12.599 -24.114 1.00 0.00 N ATOM 0 H ARG A 60 44.427 -19.184 -25.723 1.00 0.00 H new ATOM 0 HA ARG A 60 44.508 -16.654 -27.001 1.00 0.00 H new ATOM 0 HB2 ARG A 60 45.704 -17.307 -24.898 1.00 0.00 H new ATOM 0 HB3 ARG A 60 46.883 -18.144 -25.888 1.00 0.00 H new ATOM 0 HG2 ARG A 60 47.449 -16.041 -27.064 1.00 0.00 H new ATOM 0 HG3 ARG A 60 46.195 -15.182 -26.191 1.00 0.00 H new ATOM 0 HD2 ARG A 60 47.545 -16.179 -24.056 1.00 0.00 H new ATOM 0 HD3 ARG A 60 48.868 -16.162 -25.205 1.00 0.00 H new ATOM 0 HE ARG A 60 47.448 -13.615 -25.297 1.00 0.00 H new ATOM 0 HH11 ARG A 60 48.979 -15.470 -22.771 1.00 0.00 H new ATOM 0 HH12 ARG A 60 50.078 -14.176 -22.280 1.00 0.00 H new ATOM 0 HH21 ARG A 60 49.140 -12.022 -24.891 1.00 0.00 H new ATOM 0 HH22 ARG A 60 50.168 -12.240 -23.471 1.00 0.00 H new ATOM 1031 N LYS A 67 45.330 -12.321 -29.557 1.00 0.00 N ATOM 1032 CA LYS A 67 44.610 -13.490 -30.074 1.00 0.00 C ATOM 1033 C LYS A 67 43.524 -13.971 -29.121 1.00 0.00 C ATOM 1034 O LYS A 67 43.763 -14.338 -27.971 1.00 0.00 O ATOM 1035 CB LYS A 67 45.553 -14.611 -30.545 1.00 0.00 C ATOM 1036 CG LYS A 67 45.095 -15.238 -31.877 1.00 0.00 C ATOM 1037 CD LYS A 67 43.945 -16.237 -31.684 1.00 0.00 C ATOM 1038 CE LYS A 67 42.961 -16.196 -32.856 1.00 0.00 C ATOM 1039 NZ LYS A 67 41.769 -17.004 -32.537 1.00 0.00 N ATOM 0 HA LYS A 67 44.088 -13.159 -30.972 1.00 0.00 H new ATOM 0 HB2 LYS A 67 46.560 -14.211 -30.661 1.00 0.00 H new ATOM 0 HB3 LYS A 67 45.604 -15.386 -29.780 1.00 0.00 H new ATOM 0 HG2 LYS A 67 44.777 -14.448 -32.558 1.00 0.00 H new ATOM 0 HG3 LYS A 67 45.938 -15.744 -32.347 1.00 0.00 H new ATOM 0 HD2 LYS A 67 44.350 -17.244 -31.583 1.00 0.00 H new ATOM 0 HD3 LYS A 67 43.418 -16.011 -30.757 1.00 0.00 H new ATOM 0 HE2 LYS A 67 42.669 -15.166 -33.062 1.00 0.00 H new ATOM 0 HE3 LYS A 67 43.440 -16.578 -33.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 41.220 -17.170 -33.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 42.065 -17.916 -32.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 41.180 -16.496 -31.847 1.00 0.00 H new ATOM 1053 N ASN A 68 42.304 -13.937 -29.632 1.00 0.00 N ATOM 1054 CA ASN A 68 41.162 -14.353 -28.821 1.00 0.00 C ATOM 1055 C ASN A 68 40.251 -15.241 -29.663 1.00 0.00 C ATOM 1056 O ASN A 68 40.297 -15.223 -30.896 1.00 0.00 O ATOM 1057 CB ASN A 68 40.355 -13.203 -28.200 1.00 0.00 C ATOM 1058 CG ASN A 68 41.100 -11.863 -28.098 1.00 0.00 C ATOM 1059 OD1 ASN A 68 41.405 -11.384 -27.008 1.00 0.00 O ATOM 1060 ND2 ASN A 68 41.361 -11.210 -29.219 1.00 0.00 N ATOM 0 H ASN A 68 42.077 -13.635 -30.579 1.00 0.00 H new ATOM 0 HA ASN A 68 41.574 -14.898 -27.972 1.00 0.00 H new ATOM 0 HB2 ASN A 68 39.451 -13.054 -28.791 1.00 0.00 H new ATOM 0 HB3 ASN A 68 40.037 -13.501 -27.201 1.00 0.00 H new ATOM 0 HD21 ASN A 68 41.820 -10.300 -29.184 1.00 0.00 H new ATOM 0 HD22 ASN A 68 41.103 -11.617 -30.118 1.00 0.00 H new ATOM 1067 N ILE A 69 39.419 -16.035 -29.011 1.00 0.00 N ATOM 1068 CA ILE A 69 38.566 -16.930 -29.791 1.00 0.00 C ATOM 1069 C ILE A 69 37.175 -16.367 -30.049 1.00 0.00 C ATOM 1070 O ILE A 69 36.352 -16.153 -29.160 1.00 0.00 O ATOM 1071 CB ILE A 69 38.516 -18.372 -29.303 1.00 0.00 C ATOM 1072 CG1 ILE A 69 37.812 -18.495 -27.941 1.00 0.00 C ATOM 1073 CG2 ILE A 69 39.943 -18.924 -29.218 1.00 0.00 C ATOM 1074 CD1 ILE A 69 38.013 -19.876 -27.315 1.00 0.00 C ATOM 0 H ILE A 69 39.313 -16.084 -27.998 1.00 0.00 H new ATOM 0 HA ILE A 69 39.076 -16.980 -30.753 1.00 0.00 H new ATOM 0 HB ILE A 69 37.934 -18.955 -30.017 1.00 0.00 H new ATOM 0 HG12 ILE A 69 38.195 -17.731 -27.265 1.00 0.00 H new ATOM 0 HG13 ILE A 69 36.746 -18.305 -28.065 1.00 0.00 H new ATOM 0 HG21 ILE A 69 39.914 -19.956 -28.869 1.00 0.00 H new ATOM 0 HG22 ILE A 69 40.407 -18.887 -30.204 1.00 0.00 H new ATOM 0 HG23 ILE A 69 40.525 -18.322 -28.521 1.00 0.00 H new ATOM 0 HD11 ILE A 69 37.499 -19.918 -26.355 1.00 0.00 H new ATOM 0 HD12 ILE A 69 37.606 -20.639 -27.978 1.00 0.00 H new ATOM 0 HD13 ILE A 69 39.078 -20.056 -27.165 1.00 0.00 H new ATOM 1086 N GLY A 70 36.935 -16.156 -31.322 1.00 0.00 N ATOM 1087 CA GLY A 70 35.672 -15.536 -31.740 1.00 0.00 C ATOM 1088 C GLY A 70 34.582 -16.572 -32.053 1.00 0.00 C ATOM 1089 O GLY A 70 34.622 -17.707 -31.574 1.00 0.00 O ATOM 0 H GLY A 70 37.573 -16.394 -32.081 1.00 0.00 H new ATOM 0 HA2 GLY A 70 35.320 -14.870 -30.952 1.00 0.00 H new ATOM 0 HA3 GLY A 70 35.848 -14.921 -32.622 1.00 0.00 H new ATOM 1093 N PRO A 71 33.557 -16.148 -32.813 1.00 0.00 N ATOM 1094 CA PRO A 71 32.361 -16.986 -33.042 1.00 0.00 C ATOM 1095 C PRO A 71 32.589 -18.504 -33.107 1.00 0.00 C ATOM 1096 O PRO A 71 31.960 -19.272 -32.378 1.00 0.00 O ATOM 1097 CB PRO A 71 31.770 -16.467 -34.362 1.00 0.00 C ATOM 1098 CG PRO A 71 32.618 -15.280 -34.824 1.00 0.00 C ATOM 1099 CD PRO A 71 33.791 -15.150 -33.856 1.00 0.00 C ATOM 0 HA PRO A 71 31.700 -16.890 -32.181 1.00 0.00 H new ATOM 0 HB2 PRO A 71 31.772 -17.254 -35.116 1.00 0.00 H new ATOM 0 HB3 PRO A 71 30.733 -16.163 -34.222 1.00 0.00 H new ATOM 0 HG2 PRO A 71 32.976 -15.438 -35.841 1.00 0.00 H new ATOM 0 HG3 PRO A 71 32.025 -14.365 -34.833 1.00 0.00 H new ATOM 0 HD2 PRO A 71 34.739 -15.329 -34.363 1.00 0.00 H new ATOM 0 HD3 PRO A 71 33.840 -14.146 -33.433 1.00 0.00 H new ATOM 1107 N GLU A 72 33.474 -18.951 -33.984 1.00 0.00 N ATOM 1108 CA GLU A 72 33.511 -20.387 -34.286 1.00 0.00 C ATOM 1109 C GLU A 72 34.577 -21.238 -33.565 1.00 0.00 C ATOM 1110 O GLU A 72 34.380 -22.434 -33.365 1.00 0.00 O ATOM 1111 CB GLU A 72 33.471 -20.649 -35.798 1.00 0.00 C ATOM 1112 CG GLU A 72 34.822 -20.406 -36.489 1.00 0.00 C ATOM 1113 CD GLU A 72 35.160 -18.922 -36.561 1.00 0.00 C ATOM 1114 OE1 GLU A 72 34.693 -18.245 -37.502 1.00 0.00 O ATOM 1115 OE2 GLU A 72 35.889 -18.426 -35.676 1.00 0.00 O ATOM 0 H GLU A 72 34.152 -18.376 -34.484 1.00 0.00 H new ATOM 0 HA GLU A 72 32.589 -20.756 -33.836 1.00 0.00 H new ATOM 0 HB2 GLU A 72 33.160 -21.679 -35.974 1.00 0.00 H new ATOM 0 HB3 GLU A 72 32.717 -20.006 -36.252 1.00 0.00 H new ATOM 0 HG2 GLU A 72 35.608 -20.932 -35.947 1.00 0.00 H new ATOM 0 HG3 GLU A 72 34.796 -20.822 -37.496 1.00 0.00 H new ATOM 1122 N GLU A 73 35.717 -20.661 -33.191 1.00 0.00 N ATOM 1123 CA GLU A 73 36.767 -21.474 -32.562 1.00 0.00 C ATOM 1124 C GLU A 73 36.346 -22.138 -31.239 1.00 0.00 C ATOM 1125 O GLU A 73 36.648 -23.305 -30.977 1.00 0.00 O ATOM 1126 CB GLU A 73 38.062 -20.655 -32.428 1.00 0.00 C ATOM 1127 CG GLU A 73 39.145 -21.358 -31.595 1.00 0.00 C ATOM 1128 CD GLU A 73 40.536 -20.856 -31.965 1.00 0.00 C ATOM 1129 OE1 GLU A 73 40.702 -19.639 -32.206 1.00 0.00 O ATOM 1130 OE2 GLU A 73 41.475 -21.680 -32.013 1.00 0.00 O ATOM 0 H GLU A 73 35.938 -19.672 -33.304 1.00 0.00 H new ATOM 0 HA GLU A 73 36.955 -22.315 -33.229 1.00 0.00 H new ATOM 0 HB2 GLU A 73 38.457 -20.448 -33.423 1.00 0.00 H new ATOM 0 HB3 GLU A 73 37.829 -19.693 -31.971 1.00 0.00 H new ATOM 0 HG2 GLU A 73 38.963 -21.184 -30.535 1.00 0.00 H new ATOM 0 HG3 GLU A 73 39.089 -22.435 -31.755 1.00 0.00 H new ATOM 1137 N TRP A 74 35.612 -21.410 -30.414 1.00 0.00 N ATOM 1138 CA TRP A 74 35.209 -21.960 -29.114 1.00 0.00 C ATOM 1139 C TRP A 74 34.188 -23.113 -29.212 1.00 0.00 C ATOM 1140 O TRP A 74 34.350 -24.152 -28.568 1.00 0.00 O ATOM 1141 CB TRP A 74 34.845 -20.777 -28.183 1.00 0.00 C ATOM 1142 CG TRP A 74 34.262 -21.079 -26.798 1.00 0.00 C ATOM 1143 CD1 TRP A 74 33.065 -20.412 -26.551 1.00 0.00 C ATOM 1144 CD2 TRP A 74 35.050 -20.870 -25.666 1.00 0.00 C ATOM 1145 NE1 TRP A 74 33.125 -19.672 -25.364 1.00 0.00 N ATOM 1146 CE2 TRP A 74 34.358 -20.002 -24.813 1.00 0.00 C ATOM 1147 CE3 TRP A 74 35.806 -21.871 -25.119 1.00 0.00 C ATOM 1148 CZ2 TRP A 74 34.489 -20.145 -23.459 1.00 0.00 C ATOM 1149 CZ3 TRP A 74 35.936 -21.955 -23.762 1.00 0.00 C ATOM 1150 CH2 TRP A 74 35.169 -21.195 -22.946 1.00 0.00 C ATOM 0 H TRP A 74 35.286 -20.462 -30.605 1.00 0.00 H new ATOM 0 HA TRP A 74 36.043 -22.485 -28.648 1.00 0.00 H new ATOM 0 HB2 TRP A 74 35.746 -20.181 -28.039 1.00 0.00 H new ATOM 0 HB3 TRP A 74 34.129 -20.149 -28.713 1.00 0.00 H new ATOM 0 HD1 TRP A 74 32.199 -20.460 -27.194 1.00 0.00 H new ATOM 0 HE1 TRP A 74 32.423 -19.035 -24.988 1.00 0.00 H new ATOM 0 HE3 TRP A 74 36.297 -22.591 -25.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 34.047 -19.416 -22.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 36.659 -22.635 -23.336 1.00 0.00 H new ATOM 0 HH2 TRP A 74 35.101 -21.425 -21.893 1.00 0.00 H new ATOM 1161 N LEU A 75 33.182 -22.984 -30.080 1.00 0.00 N ATOM 1162 CA LEU A 75 32.291 -24.139 -30.312 1.00 0.00 C ATOM 1163 C LEU A 75 32.873 -25.185 -31.277 1.00 0.00 C ATOM 1164 O LEU A 75 32.425 -26.330 -31.290 1.00 0.00 O ATOM 1165 CB LEU A 75 30.870 -23.780 -30.772 1.00 0.00 C ATOM 1166 CG LEU A 75 29.776 -24.450 -29.916 1.00 0.00 C ATOM 1167 CD1 LEU A 75 28.421 -24.211 -30.517 1.00 0.00 C ATOM 1168 CD2 LEU A 75 29.857 -25.968 -29.880 1.00 0.00 C ATOM 0 H LEU A 75 32.964 -22.142 -30.612 1.00 0.00 H new ATOM 0 HA LEU A 75 32.218 -24.573 -29.315 1.00 0.00 H new ATOM 0 HB2 LEU A 75 30.743 -22.698 -30.733 1.00 0.00 H new ATOM 0 HB3 LEU A 75 30.744 -24.079 -31.813 1.00 0.00 H new ATOM 0 HG LEU A 75 29.925 -24.020 -28.926 1.00 0.00 H new ATOM 0 HD11 LEU A 75 27.660 -24.690 -29.901 1.00 0.00 H new ATOM 0 HD12 LEU A 75 28.228 -23.139 -30.564 1.00 0.00 H new ATOM 0 HD13 LEU A 75 28.390 -24.630 -31.523 1.00 0.00 H new ATOM 0 HD21 LEU A 75 29.053 -26.361 -29.257 1.00 0.00 H new ATOM 0 HD22 LEU A 75 29.758 -26.362 -30.892 1.00 0.00 H new ATOM 0 HD23 LEU A 75 30.818 -26.271 -29.465 1.00 0.00 H new ATOM 1180 N THR A 76 33.844 -24.827 -32.119 1.00 0.00 N ATOM 1181 CA THR A 76 34.428 -25.869 -32.971 1.00 0.00 C ATOM 1182 C THR A 76 35.299 -26.824 -32.163 1.00 0.00 C ATOM 1183 O THR A 76 35.132 -28.042 -32.239 1.00 0.00 O ATOM 1184 CB THR A 76 35.131 -25.382 -34.243 1.00 0.00 C ATOM 1185 OG1 THR A 76 34.300 -24.450 -34.919 1.00 0.00 O ATOM 1186 CG2 THR A 76 36.485 -24.736 -33.967 1.00 0.00 C ATOM 0 H THR A 76 34.225 -23.887 -32.230 1.00 0.00 H new ATOM 0 HA THR A 76 33.567 -26.416 -33.354 1.00 0.00 H new ATOM 0 HB THR A 76 35.311 -26.262 -34.860 1.00 0.00 H new ATOM 0 HG1 THR A 76 34.462 -23.551 -34.565 1.00 0.00 H new ATOM 0 HG21 THR A 76 36.932 -24.412 -34.907 1.00 0.00 H new ATOM 0 HG22 THR A 76 36.350 -23.874 -33.313 1.00 0.00 H new ATOM 0 HG23 THR A 76 37.141 -25.459 -33.483 1.00 0.00 H new ATOM 1194 N LEU A 77 36.221 -26.293 -31.355 1.00 0.00 N ATOM 1195 CA LEU A 77 36.928 -27.201 -30.444 1.00 0.00 C ATOM 1196 C LEU A 77 35.962 -27.836 -29.434 1.00 0.00 C ATOM 1197 O LEU A 77 36.044 -29.028 -29.168 1.00 0.00 O ATOM 1198 CB LEU A 77 38.208 -26.649 -29.790 1.00 0.00 C ATOM 1199 CG LEU A 77 37.893 -25.594 -28.730 1.00 0.00 C ATOM 1200 CD1 LEU A 77 38.209 -26.022 -27.314 1.00 0.00 C ATOM 1201 CD2 LEU A 77 38.722 -24.351 -28.995 1.00 0.00 C ATOM 0 H LEU A 77 36.484 -25.309 -31.309 1.00 0.00 H new ATOM 0 HA LEU A 77 37.319 -27.988 -31.089 1.00 0.00 H new ATOM 0 HB2 LEU A 77 38.765 -27.467 -29.334 1.00 0.00 H new ATOM 0 HB3 LEU A 77 38.850 -26.214 -30.556 1.00 0.00 H new ATOM 0 HG LEU A 77 36.819 -25.422 -28.806 1.00 0.00 H new ATOM 0 HD11 LEU A 77 37.956 -25.216 -26.625 1.00 0.00 H new ATOM 0 HD12 LEU A 77 37.627 -26.909 -27.064 1.00 0.00 H new ATOM 0 HD13 LEU A 77 39.272 -26.250 -27.231 1.00 0.00 H new ATOM 0 HD21 LEU A 77 38.499 -23.597 -28.240 1.00 0.00 H new ATOM 0 HD22 LEU A 77 39.781 -24.604 -28.953 1.00 0.00 H new ATOM 0 HD23 LEU A 77 38.482 -23.957 -29.983 1.00 0.00 H new ATOM 1213 N CYS A 78 34.986 -27.084 -28.918 1.00 0.00 N ATOM 1214 CA CYS A 78 34.013 -27.712 -28.020 1.00 0.00 C ATOM 1215 C CYS A 78 33.186 -28.810 -28.710 1.00 0.00 C ATOM 1216 O CYS A 78 32.835 -29.815 -28.091 1.00 0.00 O ATOM 1217 CB CYS A 78 33.105 -26.710 -27.307 1.00 0.00 C ATOM 1218 SG CYS A 78 34.016 -25.923 -25.940 1.00 0.00 S ATOM 0 H CYS A 78 34.850 -26.089 -29.094 1.00 0.00 H new ATOM 0 HA CYS A 78 34.618 -28.191 -27.250 1.00 0.00 H new ATOM 0 HB2 CYS A 78 32.760 -25.953 -28.011 1.00 0.00 H new ATOM 0 HB3 CYS A 78 32.219 -27.216 -26.923 1.00 0.00 H new ATOM 0 HG CYS A 78 34.565 -24.822 -26.361 1.00 0.00 H new ATOM 1224 N SER A 79 32.878 -28.642 -30.000 1.00 0.00 N ATOM 1225 CA SER A 79 32.178 -29.719 -30.719 1.00 0.00 C ATOM 1226 C SER A 79 33.035 -30.979 -30.857 1.00 0.00 C ATOM 1227 O SER A 79 32.606 -32.084 -30.517 1.00 0.00 O ATOM 1228 CB SER A 79 31.674 -29.283 -32.098 1.00 0.00 C ATOM 1229 OG SER A 79 30.760 -28.206 -31.964 1.00 0.00 O ATOM 0 H SER A 79 33.089 -27.810 -30.551 1.00 0.00 H new ATOM 0 HA SER A 79 31.311 -29.956 -30.103 1.00 0.00 H new ATOM 0 HB2 SER A 79 32.515 -28.981 -32.723 1.00 0.00 H new ATOM 0 HB3 SER A 79 31.190 -30.121 -32.599 1.00 0.00 H new ATOM 0 HG SER A 79 31.232 -27.358 -32.101 1.00 0.00 H new ATOM 1235 N LYS A 80 34.259 -30.813 -31.355 1.00 0.00 N ATOM 1236 CA LYS A 80 35.170 -31.967 -31.432 1.00 0.00 C ATOM 1237 C LYS A 80 35.541 -32.530 -30.049 1.00 0.00 C ATOM 1238 O LYS A 80 35.732 -33.732 -29.875 1.00 0.00 O ATOM 1239 CB LYS A 80 36.450 -31.688 -32.241 1.00 0.00 C ATOM 1240 CG LYS A 80 36.192 -30.916 -33.544 1.00 0.00 C ATOM 1241 CD LYS A 80 35.298 -31.699 -34.508 1.00 0.00 C ATOM 1242 CE LYS A 80 34.738 -30.773 -35.590 1.00 0.00 C ATOM 1243 NZ LYS A 80 34.003 -31.563 -36.592 1.00 0.00 N ATOM 0 H LYS A 80 34.638 -29.931 -31.700 1.00 0.00 H new ATOM 0 HA LYS A 80 34.597 -32.723 -31.969 1.00 0.00 H new ATOM 0 HB2 LYS A 80 37.145 -31.120 -31.623 1.00 0.00 H new ATOM 0 HB3 LYS A 80 36.935 -32.635 -32.478 1.00 0.00 H new ATOM 0 HG2 LYS A 80 35.724 -29.959 -33.312 1.00 0.00 H new ATOM 0 HG3 LYS A 80 37.143 -30.696 -34.029 1.00 0.00 H new ATOM 0 HD2 LYS A 80 35.869 -32.505 -34.970 1.00 0.00 H new ATOM 0 HD3 LYS A 80 34.479 -32.163 -33.958 1.00 0.00 H new ATOM 0 HE2 LYS A 80 34.076 -30.032 -35.141 1.00 0.00 H new ATOM 0 HE3 LYS A 80 35.550 -30.226 -36.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 33.625 -30.929 -37.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 34.646 -32.253 -37.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 33.218 -32.066 -36.130 1.00 0.00 H new ATOM 1257 N TRP A 81 35.638 -31.650 -29.057 1.00 0.00 N ATOM 1258 CA TRP A 81 35.950 -32.105 -27.701 1.00 0.00 C ATOM 1259 C TRP A 81 34.817 -32.893 -27.043 1.00 0.00 C ATOM 1260 O TRP A 81 35.052 -33.782 -26.225 1.00 0.00 O ATOM 1261 CB TRP A 81 36.449 -30.945 -26.809 1.00 0.00 C ATOM 1262 CG TRP A 81 37.913 -30.660 -27.080 1.00 0.00 C ATOM 1263 CD1 TRP A 81 38.492 -29.523 -27.650 1.00 0.00 C ATOM 1264 CD2 TRP A 81 38.850 -31.633 -27.034 1.00 0.00 C ATOM 1265 NE1 TRP A 81 39.866 -29.774 -27.900 1.00 0.00 N ATOM 1266 CE2 TRP A 81 40.037 -31.116 -27.520 1.00 0.00 C ATOM 1267 CE3 TRP A 81 38.855 -32.569 -26.049 1.00 0.00 C ATOM 1268 CZ2 TRP A 81 41.211 -31.593 -27.030 1.00 0.00 C ATOM 1269 CZ3 TRP A 81 40.024 -33.140 -25.693 1.00 0.00 C ATOM 1270 CH2 TRP A 81 41.194 -32.635 -26.150 1.00 0.00 C ATOM 0 H TRP A 81 35.509 -30.643 -29.158 1.00 0.00 H new ATOM 0 HA TRP A 81 36.771 -32.814 -27.806 1.00 0.00 H new ATOM 0 HB2 TRP A 81 35.857 -30.050 -27.000 1.00 0.00 H new ATOM 0 HB3 TRP A 81 36.310 -31.200 -25.758 1.00 0.00 H new ATOM 0 HD1 TRP A 81 37.975 -28.599 -27.866 1.00 0.00 H new ATOM 0 HE1 TRP A 81 40.566 -29.131 -28.269 1.00 0.00 H new ATOM 0 HE3 TRP A 81 37.936 -32.852 -25.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 42.148 -31.151 -27.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 40.027 -34.002 -25.042 1.00 0.00 H new ATOM 0 HH2 TRP A 81 42.127 -33.063 -25.813 1.00 0.00 H new ATOM 1281 N VAL A 82 33.579 -32.579 -27.405 1.00 0.00 N ATOM 1282 CA VAL A 82 32.467 -33.392 -26.890 1.00 0.00 C ATOM 1283 C VAL A 82 32.211 -34.618 -27.786 1.00 0.00 C ATOM 1284 O VAL A 82 32.581 -35.739 -27.439 1.00 0.00 O ATOM 1285 CB VAL A 82 31.202 -32.578 -26.535 1.00 0.00 C ATOM 1286 CG1 VAL A 82 30.551 -31.926 -27.762 1.00 0.00 C ATOM 1287 CG2 VAL A 82 30.176 -33.471 -25.829 1.00 0.00 C ATOM 0 H VAL A 82 33.319 -31.809 -28.021 1.00 0.00 H new ATOM 0 HA VAL A 82 32.782 -33.782 -25.922 1.00 0.00 H new ATOM 0 HB VAL A 82 31.524 -31.777 -25.870 1.00 0.00 H new ATOM 0 HG11 VAL A 82 29.668 -31.368 -27.452 1.00 0.00 H new ATOM 0 HG12 VAL A 82 31.262 -31.247 -28.234 1.00 0.00 H new ATOM 0 HG13 VAL A 82 30.260 -32.699 -28.474 1.00 0.00 H new ATOM 0 HG21 VAL A 82 29.290 -32.885 -25.585 1.00 0.00 H new ATOM 0 HG22 VAL A 82 29.896 -34.294 -26.487 1.00 0.00 H new ATOM 0 HG23 VAL A 82 30.611 -33.870 -24.913 1.00 0.00 H new