USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 412 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 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -74:sc= 0.285 USER MOD Single : A 27 GLN : amide:sc= -0.836 K(o=-0.84,f=-1.6) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.279 X(o=-0.28,f=0) USER MOD Single : A 47 MET CE :methyl -154:sc= -0.0562 (180deg=-1.05) USER MOD Single : A 57 CYS SG : rot 7:sc= -1.54! USER MOD Single : A 58 LYS NZ :NH3+ -145:sc= 0.883 (180deg=-0.209) USER MOD Single : A 61 TYR OH : rot 172:sc= -0.646 USER MOD Single : A 67 ASN : amide:sc= -0.0559 K(o=-0.056,f=-1.6!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 209 N GLY A 17 8.095 1.411 3.319 1.00 0.00 N ATOM 210 CA GLY A 17 7.247 2.106 4.268 1.00 0.00 C ATOM 211 C GLY A 17 5.997 1.320 4.613 1.00 0.00 C ATOM 212 O GLY A 17 5.953 0.103 4.435 1.00 0.00 O ATOM 0 HA2 GLY A 17 7.812 2.303 5.179 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.962 3.073 3.855 1.00 0.00 H new ATOM 216 N ILE A 18 4.980 2.017 5.109 1.00 0.00 N ATOM 217 CA ILE A 18 3.725 1.376 5.480 1.00 0.00 C ATOM 218 C ILE A 18 3.088 0.679 4.282 1.00 0.00 C ATOM 219 O ILE A 18 2.981 1.255 3.199 1.00 0.00 O ATOM 220 CB ILE A 18 2.723 2.392 6.060 1.00 0.00 C ATOM 221 CG1 ILE A 18 3.257 2.976 7.370 1.00 0.00 C ATOM 222 CG2 ILE A 18 1.369 1.736 6.279 1.00 0.00 C ATOM 223 CD1 ILE A 18 4.091 4.223 7.181 1.00 0.00 C ATOM 0 H ILE A 18 5.001 3.025 5.263 1.00 0.00 H new ATOM 0 HA ILE A 18 3.963 0.636 6.244 1.00 0.00 H new ATOM 0 HB ILE A 18 2.598 3.205 5.345 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.417 3.207 8.025 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.858 2.221 7.877 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.672 2.467 6.689 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.987 1.364 5.328 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.476 0.905 6.977 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.435 4.581 8.151 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.952 3.993 6.553 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.488 4.995 6.703 1.00 0.00 H new ATOM 235 N THR A 19 2.665 -0.565 4.484 1.00 0.00 N ATOM 236 CA THR A 19 2.038 -1.340 3.422 1.00 0.00 C ATOM 237 C THR A 19 0.610 -1.727 3.792 1.00 0.00 C ATOM 238 O THR A 19 0.281 -1.869 4.969 1.00 0.00 O ATOM 239 CB THR A 19 2.839 -2.619 3.111 1.00 0.00 C ATOM 240 OG1 THR A 19 2.912 -3.446 4.277 1.00 0.00 O ATOM 241 CG2 THR A 19 4.244 -2.275 2.638 1.00 0.00 C ATOM 0 H THR A 19 2.746 -1.057 5.374 1.00 0.00 H new ATOM 0 HA THR A 19 2.022 -0.705 2.536 1.00 0.00 H new ATOM 0 HB THR A 19 2.326 -3.159 2.315 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.421 -4.258 4.071 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.791 -3.193 2.424 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.185 -1.669 1.734 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.763 -1.716 3.416 1.00 0.00 H new ATOM 249 N ALA A 20 -0.234 -1.896 2.779 1.00 0.00 N ATOM 250 CA ALA A 20 -1.625 -2.269 2.999 1.00 0.00 C ATOM 251 C ALA A 20 -2.144 -3.146 1.864 1.00 0.00 C ATOM 252 O ALA A 20 -1.554 -3.197 0.785 1.00 0.00 O ATOM 253 CB ALA A 20 -2.489 -1.025 3.144 1.00 0.00 C ATOM 0 H ALA A 20 0.022 -1.780 1.798 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.679 -2.845 3.923 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.526 -1.319 3.308 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.140 -0.437 3.993 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.421 -0.427 2.235 1.00 0.00 H new ATOM 259 N VAL A 21 -3.252 -3.837 2.116 1.00 0.00 N ATOM 260 CA VAL A 21 -3.851 -4.713 1.115 1.00 0.00 C ATOM 261 C VAL A 21 -5.304 -4.335 0.854 1.00 0.00 C ATOM 262 O VAL A 21 -6.071 -4.093 1.786 1.00 0.00 O ATOM 263 CB VAL A 21 -3.785 -6.189 1.549 1.00 0.00 C ATOM 264 CG1 VAL A 21 -4.709 -6.439 2.732 1.00 0.00 C ATOM 265 CG2 VAL A 21 -4.137 -7.102 0.385 1.00 0.00 C ATOM 0 H VAL A 21 -3.753 -3.807 3.004 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.276 -4.586 0.198 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.765 -6.413 1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.649 -7.487 3.025 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.406 -5.810 3.569 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.734 -6.199 2.450 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.085 -8.141 0.709 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.147 -6.879 0.040 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.432 -6.941 -0.430 1.00 0.00 H new ATOM 275 N ALA A 22 -5.677 -4.286 -0.421 1.00 0.00 N ATOM 276 CA ALA A 22 -7.040 -3.940 -0.806 1.00 0.00 C ATOM 277 C ALA A 22 -8.014 -5.053 -0.435 1.00 0.00 C ATOM 278 O ALA A 22 -7.666 -6.234 -0.467 1.00 0.00 O ATOM 279 CB ALA A 22 -7.110 -3.651 -2.298 1.00 0.00 C ATOM 0 H ALA A 22 -5.054 -4.482 -1.205 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.329 -3.042 -0.259 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.133 -3.394 -2.571 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.450 -2.817 -2.538 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.797 -4.534 -2.855 1.00 0.00 H new ATOM 285 N LEU A 23 -9.236 -4.670 -0.081 1.00 0.00 N ATOM 286 CA LEU A 23 -10.262 -5.636 0.297 1.00 0.00 C ATOM 287 C LEU A 23 -11.286 -5.809 -0.820 1.00 0.00 C ATOM 288 O LEU A 23 -11.813 -6.901 -1.029 1.00 0.00 O ATOM 289 CB LEU A 23 -10.962 -5.190 1.582 1.00 0.00 C ATOM 290 CG LEU A 23 -10.053 -4.909 2.779 1.00 0.00 C ATOM 291 CD1 LEU A 23 -10.837 -4.247 3.901 1.00 0.00 C ATOM 292 CD2 LEU A 23 -9.402 -6.196 3.267 1.00 0.00 C ATOM 0 H LEU A 23 -9.541 -3.697 -0.048 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.776 -6.596 0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.534 -4.288 1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.678 -5.960 1.868 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.266 -4.225 2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.174 -4.055 4.744 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.255 -3.305 3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.645 -4.906 4.218 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.758 -5.978 4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.175 -6.903 3.568 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.806 -6.629 2.464 1.00 0.00 H new ATOM 304 N TYR A 24 -11.561 -4.724 -1.536 1.00 0.00 N ATOM 305 CA TYR A 24 -12.522 -4.755 -2.632 1.00 0.00 C ATOM 306 C TYR A 24 -12.082 -3.837 -3.768 1.00 0.00 C ATOM 307 O TYR A 24 -11.333 -2.883 -3.556 1.00 0.00 O ATOM 308 CB TYR A 24 -13.908 -4.341 -2.134 1.00 0.00 C ATOM 309 CG TYR A 24 -14.237 -4.865 -0.754 1.00 0.00 C ATOM 310 CD1 TYR A 24 -13.697 -4.274 0.381 1.00 0.00 C ATOM 311 CD2 TYR A 24 -15.088 -5.950 -0.586 1.00 0.00 C ATOM 312 CE1 TYR A 24 -13.994 -4.749 1.644 1.00 0.00 C ATOM 313 CE2 TYR A 24 -15.393 -6.431 0.672 1.00 0.00 C ATOM 314 CZ TYR A 24 -14.843 -5.827 1.784 1.00 0.00 C ATOM 315 OH TYR A 24 -15.142 -6.304 3.040 1.00 0.00 O ATOM 0 H TYR A 24 -11.132 -3.812 -1.377 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.570 -5.776 -3.012 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -13.972 -3.253 -2.125 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -14.660 -4.698 -2.838 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.033 -3.429 0.274 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -15.519 -6.426 -1.455 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -13.564 -4.279 2.516 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -16.058 -7.275 0.785 1.00 0.00 H new ATOM 0 HH TYR A 24 -15.754 -7.065 2.964 1.00 0.00 H new ATOM 325 N ASP A 25 -12.554 -4.132 -4.974 1.00 0.00 N ATOM 326 CA ASP A 25 -12.212 -3.333 -6.145 1.00 0.00 C ATOM 327 C ASP A 25 -12.608 -1.874 -5.942 1.00 0.00 C ATOM 328 O ASP A 25 -13.646 -1.578 -5.350 1.00 0.00 O ATOM 329 CB ASP A 25 -12.903 -3.893 -7.390 1.00 0.00 C ATOM 330 CG ASP A 25 -14.413 -3.783 -7.314 1.00 0.00 C ATOM 331 OD1 ASP A 25 -14.932 -2.656 -7.449 1.00 0.00 O ATOM 332 OD2 ASP A 25 -15.075 -4.824 -7.118 1.00 0.00 O ATOM 0 H ASP A 25 -13.174 -4.918 -5.166 1.00 0.00 H new ATOM 0 HA ASP A 25 -11.132 -3.382 -6.285 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.547 -3.359 -8.271 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.624 -4.939 -7.517 1.00 0.00 H new ATOM 337 N TYR A 26 -11.773 -0.966 -6.436 1.00 0.00 N ATOM 338 CA TYR A 26 -12.034 0.462 -6.306 1.00 0.00 C ATOM 339 C TYR A 26 -11.617 1.209 -7.569 1.00 0.00 C ATOM 340 O TYR A 26 -10.450 1.189 -7.959 1.00 0.00 O ATOM 341 CB TYR A 26 -11.289 1.030 -5.096 1.00 0.00 C ATOM 342 CG TYR A 26 -11.790 2.387 -4.659 1.00 0.00 C ATOM 343 CD1 TYR A 26 -11.280 3.552 -5.219 1.00 0.00 C ATOM 344 CD2 TYR A 26 -12.775 2.506 -3.685 1.00 0.00 C ATOM 345 CE1 TYR A 26 -11.734 4.794 -4.822 1.00 0.00 C ATOM 346 CE2 TYR A 26 -13.236 3.744 -3.283 1.00 0.00 C ATOM 347 CZ TYR A 26 -12.713 4.885 -3.854 1.00 0.00 C ATOM 348 OH TYR A 26 -13.169 6.121 -3.457 1.00 0.00 O ATOM 0 H TYR A 26 -10.910 -1.194 -6.930 1.00 0.00 H new ATOM 0 HA TYR A 26 -13.106 0.598 -6.162 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.381 0.333 -4.263 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.228 1.103 -5.335 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.515 3.485 -5.978 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -13.187 1.615 -3.235 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.325 5.689 -5.267 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -14.002 3.818 -2.525 1.00 0.00 H new ATOM 0 HH TYR A 26 -12.491 6.556 -2.900 1.00 0.00 H new ATOM 358 N GLN A 27 -12.582 1.868 -8.204 1.00 0.00 N ATOM 359 CA GLN A 27 -12.316 2.622 -9.423 1.00 0.00 C ATOM 360 C GLN A 27 -12.272 4.120 -9.138 1.00 0.00 C ATOM 361 O GLN A 27 -13.310 4.772 -9.029 1.00 0.00 O ATOM 362 CB GLN A 27 -13.385 2.323 -10.476 1.00 0.00 C ATOM 363 CG GLN A 27 -14.736 1.956 -9.884 1.00 0.00 C ATOM 364 CD GLN A 27 -14.811 0.503 -9.456 1.00 0.00 C ATOM 365 OE1 GLN A 27 -14.393 -0.394 -10.189 1.00 0.00 O ATOM 366 NE2 GLN A 27 -15.345 0.264 -8.265 1.00 0.00 N ATOM 0 H GLN A 27 -13.554 1.895 -7.894 1.00 0.00 H new ATOM 0 HA GLN A 27 -11.343 2.314 -9.805 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.504 3.195 -11.119 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.041 1.505 -11.109 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.937 2.595 -9.024 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.516 2.155 -10.618 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -15.678 1.038 -7.691 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -15.422 -0.694 -7.924 1.00 0.00 H new ATOM 375 N ALA A 28 -11.063 4.659 -9.019 1.00 0.00 N ATOM 376 CA ALA A 28 -10.884 6.080 -8.748 1.00 0.00 C ATOM 377 C ALA A 28 -11.881 6.920 -9.540 1.00 0.00 C ATOM 378 O ALA A 28 -12.074 6.706 -10.736 1.00 0.00 O ATOM 379 CB ALA A 28 -9.459 6.504 -9.073 1.00 0.00 C ATOM 0 H ALA A 28 -10.193 4.133 -9.106 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.069 6.248 -7.687 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.340 7.567 -8.866 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.761 5.934 -8.460 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.254 6.314 -10.127 1.00 0.00 H new ATOM 385 N ALA A 29 -12.512 7.874 -8.864 1.00 0.00 N ATOM 386 CA ALA A 29 -13.488 8.747 -9.505 1.00 0.00 C ATOM 387 C ALA A 29 -12.801 9.789 -10.381 1.00 0.00 C ATOM 388 O ALA A 29 -13.270 10.101 -11.475 1.00 0.00 O ATOM 389 CB ALA A 29 -14.357 9.426 -8.457 1.00 0.00 C ATOM 0 H ALA A 29 -12.365 8.062 -7.872 1.00 0.00 H new ATOM 0 HA ALA A 29 -14.122 8.134 -10.145 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.081 10.075 -8.950 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.884 8.669 -7.876 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.729 10.021 -7.794 1.00 0.00 H new ATOM 395 N GLY A 30 -11.686 10.324 -9.893 1.00 0.00 N ATOM 396 CA GLY A 30 -10.953 11.326 -10.644 1.00 0.00 C ATOM 397 C GLY A 30 -9.502 10.944 -10.859 1.00 0.00 C ATOM 398 O GLY A 30 -9.134 9.778 -10.721 1.00 0.00 O ATOM 0 H GLY A 30 -11.277 10.081 -8.991 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.433 11.474 -11.611 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.000 12.278 -10.115 1.00 0.00 H new ATOM 402 N ASP A 31 -8.677 11.928 -11.198 1.00 0.00 N ATOM 403 CA ASP A 31 -7.258 11.690 -11.433 1.00 0.00 C ATOM 404 C ASP A 31 -6.494 11.612 -10.114 1.00 0.00 C ATOM 405 O ASP A 31 -5.609 10.773 -9.946 1.00 0.00 O ATOM 406 CB ASP A 31 -6.671 12.795 -12.312 1.00 0.00 C ATOM 407 CG ASP A 31 -6.657 14.142 -11.616 1.00 0.00 C ATOM 408 OD1 ASP A 31 -5.715 14.398 -10.836 1.00 0.00 O ATOM 409 OD2 ASP A 31 -7.588 14.940 -11.851 1.00 0.00 O ATOM 0 H ASP A 31 -8.967 12.899 -11.316 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.156 10.735 -11.948 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.654 12.526 -12.598 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.251 12.870 -13.232 1.00 0.00 H new ATOM 414 N ASP A 32 -6.843 12.492 -9.182 1.00 0.00 N ATOM 415 CA ASP A 32 -6.191 12.524 -7.878 1.00 0.00 C ATOM 416 C ASP A 32 -6.249 11.154 -7.208 1.00 0.00 C ATOM 417 O ASP A 32 -5.250 10.669 -6.679 1.00 0.00 O ATOM 418 CB ASP A 32 -6.848 13.573 -6.980 1.00 0.00 C ATOM 419 CG ASP A 32 -6.858 14.951 -7.612 1.00 0.00 C ATOM 420 OD1 ASP A 32 -5.812 15.361 -8.156 1.00 0.00 O ATOM 421 OD2 ASP A 32 -7.912 15.620 -7.562 1.00 0.00 O ATOM 0 H ASP A 32 -7.574 13.193 -9.305 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.145 12.791 -8.029 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.872 13.270 -6.761 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.318 13.616 -6.029 1.00 0.00 H new ATOM 426 N GLU A 33 -7.427 10.538 -7.234 1.00 0.00 N ATOM 427 CA GLU A 33 -7.615 9.226 -6.627 1.00 0.00 C ATOM 428 C GLU A 33 -6.976 8.135 -7.481 1.00 0.00 C ATOM 429 O GLU A 33 -6.781 8.308 -8.684 1.00 0.00 O ATOM 430 CB GLU A 33 -9.106 8.935 -6.441 1.00 0.00 C ATOM 431 CG GLU A 33 -9.739 9.710 -5.297 1.00 0.00 C ATOM 432 CD GLU A 33 -11.252 9.750 -5.388 1.00 0.00 C ATOM 433 OE1 GLU A 33 -11.860 8.685 -5.625 1.00 0.00 O ATOM 434 OE2 GLU A 33 -11.828 10.846 -5.221 1.00 0.00 O ATOM 0 H GLU A 33 -8.264 10.926 -7.668 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.128 9.232 -5.652 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.632 9.173 -7.365 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.240 7.868 -6.264 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.447 9.256 -4.350 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.352 10.729 -5.295 1.00 0.00 H new ATOM 441 N ILE A 34 -6.651 7.012 -6.849 1.00 0.00 N ATOM 442 CA ILE A 34 -6.034 5.892 -7.550 1.00 0.00 C ATOM 443 C ILE A 34 -6.953 4.675 -7.559 1.00 0.00 C ATOM 444 O ILE A 34 -7.793 4.513 -6.674 1.00 0.00 O ATOM 445 CB ILE A 34 -4.688 5.501 -6.912 1.00 0.00 C ATOM 446 CG1 ILE A 34 -4.881 5.157 -5.433 1.00 0.00 C ATOM 447 CG2 ILE A 34 -3.678 6.628 -7.072 1.00 0.00 C ATOM 448 CD1 ILE A 34 -3.689 4.461 -4.815 1.00 0.00 C ATOM 0 H ILE A 34 -6.805 6.853 -5.853 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.859 6.219 -8.575 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.303 4.619 -7.424 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.084 6.073 -4.879 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.759 4.519 -5.328 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.732 6.336 -6.616 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.523 6.830 -8.132 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.055 7.526 -6.583 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.896 4.247 -3.766 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.498 3.528 -5.345 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.813 5.106 -4.888 1.00 0.00 H new ATOM 460 N SER A 35 -6.785 3.821 -8.563 1.00 0.00 N ATOM 461 CA SER A 35 -7.601 2.619 -8.689 1.00 0.00 C ATOM 462 C SER A 35 -6.746 1.365 -8.537 1.00 0.00 C ATOM 463 O SER A 35 -5.621 1.302 -9.035 1.00 0.00 O ATOM 464 CB SER A 35 -8.317 2.602 -10.040 1.00 0.00 C ATOM 465 OG SER A 35 -7.403 2.376 -11.099 1.00 0.00 O ATOM 0 H SER A 35 -6.091 3.939 -9.301 1.00 0.00 H new ATOM 0 HA SER A 35 -8.345 2.629 -7.893 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.079 1.823 -10.041 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.830 3.551 -10.195 1.00 0.00 H new ATOM 0 HG SER A 35 -7.886 2.368 -11.952 1.00 0.00 H new ATOM 471 N PHE A 36 -7.287 0.367 -7.847 1.00 0.00 N ATOM 472 CA PHE A 36 -6.575 -0.887 -7.628 1.00 0.00 C ATOM 473 C PHE A 36 -7.551 -2.054 -7.515 1.00 0.00 C ATOM 474 O PHE A 36 -8.710 -1.875 -7.139 1.00 0.00 O ATOM 475 CB PHE A 36 -5.720 -0.798 -6.363 1.00 0.00 C ATOM 476 CG PHE A 36 -6.319 0.072 -5.295 1.00 0.00 C ATOM 477 CD1 PHE A 36 -7.542 -0.247 -4.727 1.00 0.00 C ATOM 478 CD2 PHE A 36 -5.658 1.209 -4.857 1.00 0.00 C ATOM 479 CE1 PHE A 36 -8.095 0.552 -3.745 1.00 0.00 C ATOM 480 CE2 PHE A 36 -6.206 2.012 -3.875 1.00 0.00 C ATOM 481 CZ PHE A 36 -7.426 1.682 -3.317 1.00 0.00 C ATOM 0 H PHE A 36 -8.217 0.402 -7.429 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.925 -1.062 -8.486 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.572 -1.801 -5.963 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.735 -0.411 -6.626 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.069 -1.130 -5.056 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.703 1.470 -5.289 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.050 0.293 -3.312 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.681 2.896 -3.544 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.856 2.306 -2.548 1.00 0.00 H new ATOM 491 N ASP A 37 -7.074 -3.250 -7.844 1.00 0.00 N ATOM 492 CA ASP A 37 -7.904 -4.448 -7.779 1.00 0.00 C ATOM 493 C ASP A 37 -8.043 -4.935 -6.340 1.00 0.00 C ATOM 494 O ASP A 37 -7.264 -4.574 -5.458 1.00 0.00 O ATOM 495 CB ASP A 37 -7.307 -5.555 -8.650 1.00 0.00 C ATOM 496 CG ASP A 37 -5.797 -5.457 -8.756 1.00 0.00 C ATOM 497 OD1 ASP A 37 -5.103 -6.017 -7.882 1.00 0.00 O ATOM 498 OD2 ASP A 37 -5.311 -4.821 -9.714 1.00 0.00 O ATOM 0 H ASP A 37 -6.118 -3.416 -8.158 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.895 -4.195 -8.155 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.577 -6.526 -8.234 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.743 -5.503 -9.648 1.00 0.00 H new ATOM 503 N PRO A 38 -9.061 -5.773 -6.095 1.00 0.00 N ATOM 504 CA PRO A 38 -9.328 -6.327 -4.764 1.00 0.00 C ATOM 505 C PRO A 38 -8.267 -7.333 -4.332 1.00 0.00 C ATOM 506 O PRO A 38 -7.875 -8.207 -5.105 1.00 0.00 O ATOM 507 CB PRO A 38 -10.683 -7.019 -4.933 1.00 0.00 C ATOM 508 CG PRO A 38 -10.763 -7.347 -6.384 1.00 0.00 C ATOM 509 CD PRO A 38 -10.030 -6.245 -7.099 1.00 0.00 C ATOM 0 HA PRO A 38 -9.321 -5.557 -3.993 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.748 -7.918 -4.320 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.501 -6.366 -4.629 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.309 -8.316 -6.591 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.800 -7.404 -6.715 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.532 -6.610 -7.997 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.706 -5.449 -7.411 1.00 0.00 H new ATOM 517 N ASP A 39 -7.806 -7.204 -3.093 1.00 0.00 N ATOM 518 CA ASP A 39 -6.791 -8.104 -2.557 1.00 0.00 C ATOM 519 C ASP A 39 -5.425 -7.807 -3.168 1.00 0.00 C ATOM 520 O ASP A 39 -4.589 -8.700 -3.306 1.00 0.00 O ATOM 521 CB ASP A 39 -7.177 -9.559 -2.823 1.00 0.00 C ATOM 522 CG ASP A 39 -8.635 -9.838 -2.512 1.00 0.00 C ATOM 523 OD1 ASP A 39 -9.479 -8.961 -2.791 1.00 0.00 O ATOM 524 OD2 ASP A 39 -8.931 -10.933 -1.990 1.00 0.00 O ATOM 0 H ASP A 39 -8.119 -6.485 -2.441 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.730 -7.944 -1.481 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.979 -9.799 -3.868 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.548 -10.215 -2.221 1.00 0.00 H new ATOM 529 N ASP A 40 -5.207 -6.549 -3.533 1.00 0.00 N ATOM 530 CA ASP A 40 -3.942 -6.134 -4.130 1.00 0.00 C ATOM 531 C ASP A 40 -2.951 -5.699 -3.055 1.00 0.00 C ATOM 532 O ASP A 40 -3.303 -5.588 -1.880 1.00 0.00 O ATOM 533 CB ASP A 40 -4.172 -4.992 -5.122 1.00 0.00 C ATOM 534 CG ASP A 40 -3.118 -4.950 -6.211 1.00 0.00 C ATOM 535 OD1 ASP A 40 -2.443 -5.980 -6.424 1.00 0.00 O ATOM 536 OD2 ASP A 40 -2.968 -3.889 -6.850 1.00 0.00 O ATOM 0 H ASP A 40 -5.889 -5.798 -3.426 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.522 -6.988 -4.662 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.156 -5.103 -5.577 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.174 -4.043 -4.585 1.00 0.00 H new ATOM 541 N ILE A 41 -1.711 -5.454 -3.465 1.00 0.00 N ATOM 542 CA ILE A 41 -0.669 -5.031 -2.537 1.00 0.00 C ATOM 543 C ILE A 41 -0.253 -3.588 -2.800 1.00 0.00 C ATOM 544 O ILE A 41 -0.044 -3.190 -3.946 1.00 0.00 O ATOM 545 CB ILE A 41 0.572 -5.938 -2.633 1.00 0.00 C ATOM 546 CG1 ILE A 41 0.181 -7.400 -2.410 1.00 0.00 C ATOM 547 CG2 ILE A 41 1.623 -5.505 -1.622 1.00 0.00 C ATOM 548 CD1 ILE A 41 -0.479 -7.652 -1.072 1.00 0.00 C ATOM 0 H ILE A 41 -1.403 -5.541 -4.434 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.088 -5.109 -1.534 1.00 0.00 H new ATOM 0 HB ILE A 41 0.996 -5.844 -3.633 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.497 -7.712 -3.205 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.072 -8.022 -2.489 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.494 -6.155 -1.702 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.919 -4.475 -1.823 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.210 -5.574 -0.616 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.729 -8.709 -0.983 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.205 -7.372 -0.271 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.389 -7.057 -0.997 1.00 0.00 H new ATOM 560 N ILE A 42 -0.131 -2.810 -1.730 1.00 0.00 N ATOM 561 CA ILE A 42 0.264 -1.411 -1.844 1.00 0.00 C ATOM 562 C ILE A 42 1.441 -1.096 -0.927 1.00 0.00 C ATOM 563 O ILE A 42 1.527 -1.607 0.190 1.00 0.00 O ATOM 564 CB ILE A 42 -0.904 -0.467 -1.506 1.00 0.00 C ATOM 565 CG1 ILE A 42 -1.993 -0.562 -2.576 1.00 0.00 C ATOM 566 CG2 ILE A 42 -0.406 0.965 -1.375 1.00 0.00 C ATOM 567 CD1 ILE A 42 -3.013 -1.645 -2.305 1.00 0.00 C ATOM 0 H ILE A 42 -0.300 -3.124 -0.774 1.00 0.00 H new ATOM 0 HA ILE A 42 0.561 -1.250 -2.880 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.333 -0.771 -0.551 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.505 0.398 -2.648 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.526 -0.748 -3.543 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.243 1.621 -1.136 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.337 1.020 -0.580 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.045 1.281 -2.316 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.754 -1.655 -3.104 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.513 -2.613 -2.262 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.507 -1.449 -1.354 1.00 0.00 H new ATOM 579 N THR A 43 2.347 -0.248 -1.405 1.00 0.00 N ATOM 580 CA THR A 43 3.518 0.137 -0.629 1.00 0.00 C ATOM 581 C THR A 43 3.712 1.649 -0.638 1.00 0.00 C ATOM 582 O THR A 43 3.100 2.357 -1.437 1.00 0.00 O ATOM 583 CB THR A 43 4.795 -0.536 -1.167 1.00 0.00 C ATOM 584 OG1 THR A 43 5.102 -0.032 -2.471 1.00 0.00 O ATOM 585 CG2 THR A 43 4.626 -2.047 -1.229 1.00 0.00 C ATOM 0 H THR A 43 2.291 0.185 -2.327 1.00 0.00 H new ATOM 0 HA THR A 43 3.343 -0.198 0.393 1.00 0.00 H new ATOM 0 HB THR A 43 5.615 -0.306 -0.486 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.916 -0.463 -2.805 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.540 -2.500 -1.612 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.421 -2.432 -0.230 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.795 -2.293 -1.890 1.00 0.00 H new ATOM 593 N ASN A 44 4.567 2.137 0.254 1.00 0.00 N ATOM 594 CA ASN A 44 4.841 3.566 0.348 1.00 0.00 C ATOM 595 C ASN A 44 3.575 4.341 0.701 1.00 0.00 C ATOM 596 O ASN A 44 3.237 5.328 0.048 1.00 0.00 O ATOM 597 CB ASN A 44 5.417 4.084 -0.972 1.00 0.00 C ATOM 598 CG ASN A 44 6.762 3.463 -1.299 1.00 0.00 C ATOM 599 OD1 ASN A 44 6.978 2.971 -2.407 1.00 0.00 O ATOM 600 ND2 ASN A 44 7.673 3.482 -0.333 1.00 0.00 N ATOM 0 H ASN A 44 5.082 1.564 0.922 1.00 0.00 H new ATOM 0 HA ASN A 44 5.573 3.718 1.141 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.716 3.872 -1.779 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.523 5.167 -0.919 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.596 3.078 -0.494 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.450 3.901 0.570 1.00 0.00 H new ATOM 607 N ILE A 45 2.881 3.887 1.740 1.00 0.00 N ATOM 608 CA ILE A 45 1.654 4.538 2.181 1.00 0.00 C ATOM 609 C ILE A 45 1.959 5.771 3.025 1.00 0.00 C ATOM 610 O ILE A 45 2.904 5.776 3.815 1.00 0.00 O ATOM 611 CB ILE A 45 0.769 3.578 2.997 1.00 0.00 C ATOM 612 CG1 ILE A 45 0.201 2.482 2.093 1.00 0.00 C ATOM 613 CG2 ILE A 45 -0.354 4.343 3.680 1.00 0.00 C ATOM 614 CD1 ILE A 45 -0.533 1.396 2.848 1.00 0.00 C ATOM 0 H ILE A 45 3.148 3.071 2.291 1.00 0.00 H new ATOM 0 HA ILE A 45 1.116 4.839 1.282 1.00 0.00 H new ATOM 0 HB ILE A 45 1.382 3.108 3.766 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.479 2.934 1.371 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.016 2.032 1.526 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.970 3.650 4.253 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.070 5.090 4.350 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.968 4.838 2.927 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.908 0.653 2.144 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.149 0.917 3.551 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.369 1.834 3.394 1.00 0.00 H new ATOM 626 N GLU A 46 1.152 6.813 2.854 1.00 0.00 N ATOM 627 CA GLU A 46 1.336 8.052 3.602 1.00 0.00 C ATOM 628 C GLU A 46 0.019 8.517 4.216 1.00 0.00 C ATOM 629 O GLU A 46 -0.810 9.129 3.543 1.00 0.00 O ATOM 630 CB GLU A 46 1.901 9.144 2.692 1.00 0.00 C ATOM 631 CG GLU A 46 3.420 9.197 2.675 1.00 0.00 C ATOM 632 CD GLU A 46 4.013 9.374 4.059 1.00 0.00 C ATOM 633 OE1 GLU A 46 3.933 10.497 4.599 1.00 0.00 O ATOM 634 OE2 GLU A 46 4.556 8.390 4.603 1.00 0.00 O ATOM 0 H GLU A 46 0.365 6.825 2.205 1.00 0.00 H new ATOM 0 HA GLU A 46 2.044 7.858 4.408 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.540 8.981 1.676 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.516 10.111 3.016 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.807 8.279 2.233 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.744 10.019 2.037 1.00 0.00 H new ATOM 641 N MET A 47 -0.166 8.222 5.499 1.00 0.00 N ATOM 642 CA MET A 47 -1.382 8.610 6.204 1.00 0.00 C ATOM 643 C MET A 47 -1.654 10.102 6.038 1.00 0.00 C ATOM 644 O MET A 47 -1.031 10.933 6.701 1.00 0.00 O ATOM 645 CB MET A 47 -1.268 8.263 7.690 1.00 0.00 C ATOM 646 CG MET A 47 -1.029 6.785 7.951 1.00 0.00 C ATOM 647 SD MET A 47 -1.694 6.243 9.538 1.00 0.00 S ATOM 648 CE MET A 47 -2.116 4.543 9.165 1.00 0.00 C ATOM 0 H MET A 47 0.510 7.716 6.071 1.00 0.00 H new ATOM 0 HA MET A 47 -2.215 8.056 5.772 1.00 0.00 H new ATOM 0 HB2 MET A 47 -0.452 8.838 8.128 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.182 8.570 8.198 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.485 6.201 7.152 1.00 0.00 H new ATOM 0 HG3 MET A 47 0.042 6.583 7.922 1.00 0.00 H new ATOM 0 HE1 MET A 47 -2.918 4.214 9.825 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.446 4.469 8.129 1.00 0.00 H new ATOM 0 HE3 MET A 47 -1.241 3.910 9.314 1.00 0.00 H new ATOM 658 N ILE A 48 -2.585 10.434 5.151 1.00 0.00 N ATOM 659 CA ILE A 48 -2.939 11.826 4.900 1.00 0.00 C ATOM 660 C ILE A 48 -3.971 12.321 5.907 1.00 0.00 C ATOM 661 O ILE A 48 -3.714 13.258 6.664 1.00 0.00 O ATOM 662 CB ILE A 48 -3.495 12.017 3.476 1.00 0.00 C ATOM 663 CG1 ILE A 48 -2.444 11.621 2.437 1.00 0.00 C ATOM 664 CG2 ILE A 48 -3.935 13.459 3.269 1.00 0.00 C ATOM 665 CD1 ILE A 48 -1.116 12.320 2.624 1.00 0.00 C ATOM 0 H ILE A 48 -3.108 9.759 4.594 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.024 12.408 5.005 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.364 11.370 3.351 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.288 10.543 2.483 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.827 11.846 1.441 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.326 13.579 2.258 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.713 13.709 3.991 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.082 14.123 3.410 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.420 11.991 1.852 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.258 13.398 2.548 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.711 12.075 3.606 1.00 0.00 H new ATOM 677 N ASP A 49 -5.137 11.686 5.912 1.00 0.00 N ATOM 678 CA ASP A 49 -6.208 12.060 6.829 1.00 0.00 C ATOM 679 C ASP A 49 -6.736 10.839 7.575 1.00 0.00 C ATOM 680 O ASP A 49 -6.199 9.738 7.443 1.00 0.00 O ATOM 681 CB ASP A 49 -7.347 12.739 6.067 1.00 0.00 C ATOM 682 CG ASP A 49 -6.893 13.991 5.342 1.00 0.00 C ATOM 683 OD1 ASP A 49 -6.394 14.918 6.014 1.00 0.00 O ATOM 684 OD2 ASP A 49 -7.037 14.043 4.103 1.00 0.00 O ATOM 0 H ASP A 49 -5.365 10.909 5.291 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.800 12.761 7.558 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.767 12.037 5.346 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.145 12.995 6.764 1.00 0.00 H new ATOM 689 N ASP A 50 -7.788 11.041 8.360 1.00 0.00 N ATOM 690 CA ASP A 50 -8.388 9.956 9.128 1.00 0.00 C ATOM 691 C ASP A 50 -9.387 9.176 8.278 1.00 0.00 C ATOM 692 O ASP A 50 -10.361 8.628 8.793 1.00 0.00 O ATOM 693 CB ASP A 50 -9.082 10.508 10.374 1.00 0.00 C ATOM 694 CG ASP A 50 -9.112 9.506 11.512 1.00 0.00 C ATOM 695 OD1 ASP A 50 -9.121 8.289 11.231 1.00 0.00 O ATOM 696 OD2 ASP A 50 -9.126 9.939 12.683 1.00 0.00 O ATOM 0 H ASP A 50 -8.243 11.946 8.481 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.592 9.278 9.435 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.568 11.411 10.703 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.102 10.796 10.121 1.00 0.00 H new ATOM 701 N GLY A 51 -9.139 9.133 6.973 1.00 0.00 N ATOM 702 CA GLY A 51 -10.025 8.419 6.072 1.00 0.00 C ATOM 703 C GLY A 51 -9.364 8.087 4.750 1.00 0.00 C ATOM 704 O GLY A 51 -9.481 6.966 4.254 1.00 0.00 O ATOM 0 H GLY A 51 -8.340 9.580 6.523 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.358 7.497 6.550 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.914 9.022 5.889 1.00 0.00 H new ATOM 708 N TRP A 52 -8.668 9.062 4.177 1.00 0.00 N ATOM 709 CA TRP A 52 -7.986 8.867 2.902 1.00 0.00 C ATOM 710 C TRP A 52 -6.473 8.908 3.082 1.00 0.00 C ATOM 711 O TRP A 52 -5.953 9.706 3.862 1.00 0.00 O ATOM 712 CB TRP A 52 -8.422 9.937 1.899 1.00 0.00 C ATOM 713 CG TRP A 52 -9.881 9.879 1.565 1.00 0.00 C ATOM 714 CD1 TRP A 52 -10.922 10.246 2.369 1.00 0.00 C ATOM 715 CD2 TRP A 52 -10.462 9.424 0.337 1.00 0.00 C ATOM 716 NE1 TRP A 52 -12.114 10.047 1.716 1.00 0.00 N ATOM 717 CE2 TRP A 52 -11.859 9.545 0.468 1.00 0.00 C ATOM 718 CE3 TRP A 52 -9.938 8.930 -0.860 1.00 0.00 C ATOM 719 CZ2 TRP A 52 -12.736 9.187 -0.554 1.00 0.00 C ATOM 720 CZ3 TRP A 52 -10.809 8.575 -1.872 1.00 0.00 C ATOM 721 CH2 TRP A 52 -12.195 8.705 -1.715 1.00 0.00 C ATOM 0 H TRP A 52 -8.561 9.995 4.574 1.00 0.00 H new ATOM 0 HA TRP A 52 -8.260 7.885 2.518 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -8.188 10.921 2.304 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -7.842 9.824 0.983 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -10.823 10.636 3.371 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -13.039 10.242 2.099 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -8.871 8.827 -0.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -13.805 9.286 -0.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -10.414 8.190 -2.801 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -12.849 8.419 -2.526 1.00 0.00 H new ATOM 732 N TRP A 53 -5.772 8.043 2.357 1.00 0.00 N ATOM 733 CA TRP A 53 -4.317 7.981 2.438 1.00 0.00 C ATOM 734 C TRP A 53 -3.690 8.090 1.053 1.00 0.00 C ATOM 735 O TRP A 53 -4.393 8.099 0.042 1.00 0.00 O ATOM 736 CB TRP A 53 -3.878 6.679 3.109 1.00 0.00 C ATOM 737 CG TRP A 53 -4.334 6.560 4.532 1.00 0.00 C ATOM 738 CD1 TRP A 53 -4.605 7.585 5.394 1.00 0.00 C ATOM 739 CD2 TRP A 53 -4.570 5.350 5.259 1.00 0.00 C ATOM 740 NE1 TRP A 53 -4.996 7.084 6.612 1.00 0.00 N ATOM 741 CE2 TRP A 53 -4.983 5.715 6.555 1.00 0.00 C ATOM 742 CE3 TRP A 53 -4.474 3.992 4.940 1.00 0.00 C ATOM 743 CZ2 TRP A 53 -5.298 4.772 7.529 1.00 0.00 C ATOM 744 CZ3 TRP A 53 -4.787 3.057 5.909 1.00 0.00 C ATOM 745 CH2 TRP A 53 -5.195 3.450 7.190 1.00 0.00 C ATOM 0 H TRP A 53 -6.187 7.376 1.707 1.00 0.00 H new ATOM 0 HA TRP A 53 -3.975 8.824 3.039 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.267 5.836 2.539 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -2.791 6.611 3.077 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -4.524 8.635 5.153 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -5.254 7.641 7.427 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -4.161 3.679 3.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -5.613 5.073 8.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.716 2.005 5.674 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.433 2.695 7.925 1.00 0.00 H new ATOM 756 N ARG A 54 -2.364 8.172 1.013 1.00 0.00 N ATOM 757 CA ARG A 54 -1.643 8.281 -0.250 1.00 0.00 C ATOM 758 C ARG A 54 -0.543 7.227 -0.340 1.00 0.00 C ATOM 759 O ARG A 54 0.382 7.209 0.471 1.00 0.00 O ATOM 760 CB ARG A 54 -1.039 9.678 -0.397 1.00 0.00 C ATOM 761 CG ARG A 54 -2.008 10.705 -0.961 1.00 0.00 C ATOM 762 CD ARG A 54 -1.333 12.050 -1.174 1.00 0.00 C ATOM 763 NE ARG A 54 -2.266 13.058 -1.672 1.00 0.00 N ATOM 764 CZ ARG A 54 -1.932 14.326 -1.886 1.00 0.00 C ATOM 765 NH1 ARG A 54 -0.695 14.739 -1.648 1.00 0.00 N ATOM 766 NH2 ARG A 54 -2.837 15.183 -2.340 1.00 0.00 N ATOM 0 H ARG A 54 -1.767 8.165 1.840 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.352 8.112 -1.061 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.690 10.018 0.578 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.165 9.620 -1.046 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.411 10.345 -1.908 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.851 10.824 -0.280 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.899 12.391 -0.234 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.512 11.935 -1.881 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.226 12.773 -1.866 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.004 14.083 -1.300 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.442 15.713 -1.813 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.790 14.869 -2.525 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.580 16.156 -2.504 1.00 0.00 H new ATOM 780 N GLY A 55 -0.651 6.350 -1.334 1.00 0.00 N ATOM 781 CA GLY A 55 0.340 5.305 -1.512 1.00 0.00 C ATOM 782 C GLY A 55 0.588 4.983 -2.972 1.00 0.00 C ATOM 783 O GLY A 55 -0.235 5.297 -3.833 1.00 0.00 O ATOM 0 H GLY A 55 -1.407 6.345 -2.019 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.276 5.614 -1.047 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.010 4.404 -0.996 1.00 0.00 H new ATOM 787 N VAL A 56 1.725 4.356 -3.254 1.00 0.00 N ATOM 788 CA VAL A 56 2.079 3.992 -4.621 1.00 0.00 C ATOM 789 C VAL A 56 1.577 2.595 -4.965 1.00 0.00 C ATOM 790 O VAL A 56 2.143 1.594 -4.523 1.00 0.00 O ATOM 791 CB VAL A 56 3.603 4.047 -4.840 1.00 0.00 C ATOM 792 CG1 VAL A 56 3.949 3.699 -6.280 1.00 0.00 C ATOM 793 CG2 VAL A 56 4.145 5.418 -4.469 1.00 0.00 C ATOM 0 H VAL A 56 2.417 4.089 -2.554 1.00 0.00 H new ATOM 0 HA VAL A 56 1.599 4.719 -5.276 1.00 0.00 H new ATOM 0 HB VAL A 56 4.073 3.308 -4.191 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.030 3.743 -6.415 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.596 2.693 -6.506 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.470 4.411 -6.952 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.223 5.439 -4.630 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.671 6.177 -5.091 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.931 5.622 -3.420 1.00 0.00 H new ATOM 803 N CYS A 57 0.512 2.533 -5.757 1.00 0.00 N ATOM 804 CA CYS A 57 -0.068 1.257 -6.161 1.00 0.00 C ATOM 805 C CYS A 57 0.064 1.053 -7.666 1.00 0.00 C ATOM 806 O CYS A 57 -0.294 1.926 -8.457 1.00 0.00 O ATOM 807 CB CYS A 57 -1.540 1.190 -5.752 1.00 0.00 C ATOM 808 SG CYS A 57 -2.678 1.885 -6.974 1.00 0.00 S ATOM 0 H CYS A 57 0.033 3.352 -6.132 1.00 0.00 H new ATOM 0 HA CYS A 57 0.478 0.461 -5.655 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.809 0.149 -5.572 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.668 1.721 -4.809 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.021 2.193 -8.053 1.00 0.00 H new ATOM 814 N LYS A 58 0.582 -0.107 -8.057 1.00 0.00 N ATOM 815 CA LYS A 58 0.763 -0.428 -9.468 1.00 0.00 C ATOM 816 C LYS A 58 1.422 0.731 -10.210 1.00 0.00 C ATOM 817 O LYS A 58 1.185 0.934 -11.400 1.00 0.00 O ATOM 818 CB LYS A 58 -0.584 -0.760 -10.113 1.00 0.00 C ATOM 819 CG LYS A 58 -0.965 -2.226 -10.004 1.00 0.00 C ATOM 820 CD LYS A 58 -2.071 -2.589 -10.982 1.00 0.00 C ATOM 821 CE LYS A 58 -2.932 -3.726 -10.452 1.00 0.00 C ATOM 822 NZ LYS A 58 -3.543 -4.518 -11.555 1.00 0.00 N ATOM 0 H LYS A 58 0.884 -0.841 -7.416 1.00 0.00 H new ATOM 0 HA LYS A 58 1.416 -1.298 -9.536 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.361 -0.156 -9.644 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.553 -0.479 -11.166 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.089 -2.846 -10.197 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.291 -2.443 -8.987 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.695 -1.715 -11.168 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.633 -2.878 -11.938 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.325 -4.381 -9.827 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.719 -3.320 -9.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.491 -4.838 -11.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.619 -3.926 -12.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.946 -5.345 -11.761 1.00 0.00 H new ATOM 836 N GLY A 59 2.252 1.488 -9.498 1.00 0.00 N ATOM 837 CA GLY A 59 2.933 2.616 -10.106 1.00 0.00 C ATOM 838 C GLY A 59 2.057 3.851 -10.179 1.00 0.00 C ATOM 839 O GLY A 59 2.085 4.583 -11.169 1.00 0.00 O ATOM 0 H GLY A 59 2.465 1.340 -8.511 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.832 2.845 -9.534 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.256 2.343 -11.111 1.00 0.00 H new ATOM 843 N ARG A 60 1.276 4.084 -9.129 1.00 0.00 N ATOM 844 CA ARG A 60 0.386 5.238 -9.080 1.00 0.00 C ATOM 845 C ARG A 60 0.245 5.755 -7.651 1.00 0.00 C ATOM 846 O ARG A 60 -0.145 5.014 -6.748 1.00 0.00 O ATOM 847 CB ARG A 60 -0.990 4.872 -9.639 1.00 0.00 C ATOM 848 CG ARG A 60 -1.120 5.104 -11.136 1.00 0.00 C ATOM 849 CD ARG A 60 -2.549 5.452 -11.523 1.00 0.00 C ATOM 850 NE ARG A 60 -2.874 5.004 -12.874 1.00 0.00 N ATOM 851 CZ ARG A 60 -4.116 4.820 -13.309 1.00 0.00 C ATOM 852 NH1 ARG A 60 -5.144 5.045 -12.503 1.00 0.00 N ATOM 853 NH2 ARG A 60 -4.331 4.411 -14.553 1.00 0.00 N ATOM 0 H ARG A 60 1.242 3.489 -8.301 1.00 0.00 H new ATOM 0 HA ARG A 60 0.821 6.027 -9.693 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.193 3.823 -9.423 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.750 5.457 -9.122 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.453 5.911 -11.440 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.804 4.210 -11.673 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.238 4.994 -10.814 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.691 6.531 -11.455 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.105 4.822 -13.519 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.983 5.360 -11.546 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -6.096 4.903 -12.839 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.542 4.238 -15.176 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.285 4.270 -14.886 1.00 0.00 H new ATOM 867 N TYR A 61 0.566 7.029 -7.454 1.00 0.00 N ATOM 868 CA TYR A 61 0.478 7.644 -6.135 1.00 0.00 C ATOM 869 C TYR A 61 -0.645 8.675 -6.089 1.00 0.00 C ATOM 870 O TYR A 61 -0.553 9.738 -6.702 1.00 0.00 O ATOM 871 CB TYR A 61 1.808 8.305 -5.768 1.00 0.00 C ATOM 872 CG TYR A 61 1.738 9.152 -4.517 1.00 0.00 C ATOM 873 CD1 TYR A 61 1.958 8.594 -3.264 1.00 0.00 C ATOM 874 CD2 TYR A 61 1.452 10.509 -4.589 1.00 0.00 C ATOM 875 CE1 TYR A 61 1.895 9.364 -2.118 1.00 0.00 C ATOM 876 CE2 TYR A 61 1.388 11.288 -3.450 1.00 0.00 C ATOM 877 CZ TYR A 61 1.610 10.710 -2.217 1.00 0.00 C ATOM 878 OH TYR A 61 1.547 11.481 -1.078 1.00 0.00 O ATOM 0 H TYR A 61 0.889 7.656 -8.191 1.00 0.00 H new ATOM 0 HA TYR A 61 0.257 6.860 -5.410 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.563 7.531 -5.631 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.137 8.927 -6.600 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.182 7.541 -3.184 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.276 10.964 -5.553 1.00 0.00 H new ATOM 0 HE1 TYR A 61 2.068 8.915 -1.151 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.166 12.342 -3.524 1.00 0.00 H new ATOM 0 HH TYR A 61 1.465 12.425 -1.326 1.00 0.00 H new ATOM 888 N GLY A 62 -1.706 8.353 -5.355 1.00 0.00 N ATOM 889 CA GLY A 62 -2.833 9.261 -5.241 1.00 0.00 C ATOM 890 C GLY A 62 -3.653 9.012 -3.991 1.00 0.00 C ATOM 891 O GLY A 62 -3.279 8.198 -3.145 1.00 0.00 O ATOM 0 H GLY A 62 -1.805 7.480 -4.837 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.469 10.288 -5.234 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.472 9.155 -6.118 1.00 0.00 H new ATOM 895 N LEU A 63 -4.773 9.716 -3.871 1.00 0.00 N ATOM 896 CA LEU A 63 -5.649 9.569 -2.713 1.00 0.00 C ATOM 897 C LEU A 63 -6.491 8.302 -2.824 1.00 0.00 C ATOM 898 O LEU A 63 -6.907 7.915 -3.916 1.00 0.00 O ATOM 899 CB LEU A 63 -6.560 10.791 -2.580 1.00 0.00 C ATOM 900 CG LEU A 63 -5.997 11.963 -1.775 1.00 0.00 C ATOM 901 CD1 LEU A 63 -6.653 13.267 -2.202 1.00 0.00 C ATOM 902 CD2 LEU A 63 -6.191 11.729 -0.284 1.00 0.00 C ATOM 0 H LEU A 63 -5.096 10.394 -4.561 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.024 9.490 -1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.805 11.148 -3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.495 10.474 -2.117 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.928 12.035 -1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.240 14.090 -1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.462 13.441 -3.261 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.728 13.206 -2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.784 12.573 0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.254 11.629 -0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.673 10.816 0.011 1.00 0.00 H new ATOM 914 N PHE A 64 -6.740 7.662 -1.687 1.00 0.00 N ATOM 915 CA PHE A 64 -7.533 6.439 -1.656 1.00 0.00 C ATOM 916 C PHE A 64 -8.137 6.217 -0.272 1.00 0.00 C ATOM 917 O PHE A 64 -7.518 6.496 0.755 1.00 0.00 O ATOM 918 CB PHE A 64 -6.672 5.236 -2.048 1.00 0.00 C ATOM 919 CG PHE A 64 -5.661 4.857 -1.004 1.00 0.00 C ATOM 920 CD1 PHE A 64 -6.016 4.044 0.060 1.00 0.00 C ATOM 921 CD2 PHE A 64 -4.355 5.314 -1.087 1.00 0.00 C ATOM 922 CE1 PHE A 64 -5.088 3.694 1.022 1.00 0.00 C ATOM 923 CE2 PHE A 64 -3.422 4.967 -0.128 1.00 0.00 C ATOM 924 CZ PHE A 64 -3.789 4.155 0.927 1.00 0.00 C ATOM 0 H PHE A 64 -6.404 7.970 -0.774 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.345 6.545 -2.375 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -7.321 4.382 -2.241 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.153 5.459 -2.981 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -7.030 3.680 0.138 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -4.063 5.949 -1.911 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -5.378 3.061 1.847 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.408 5.330 -0.204 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.062 3.881 1.677 1.00 0.00 H new ATOM 934 N PRO A 65 -9.375 5.702 -0.243 1.00 0.00 N ATOM 935 CA PRO A 65 -10.090 5.431 1.008 1.00 0.00 C ATOM 936 C PRO A 65 -9.482 4.266 1.783 1.00 0.00 C ATOM 937 O PRO A 65 -9.235 3.198 1.224 1.00 0.00 O ATOM 938 CB PRO A 65 -11.504 5.080 0.539 1.00 0.00 C ATOM 939 CG PRO A 65 -11.328 4.575 -0.851 1.00 0.00 C ATOM 940 CD PRO A 65 -10.172 5.345 -1.428 1.00 0.00 C ATOM 0 HA PRO A 65 -10.050 6.279 1.692 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.957 4.324 1.180 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.157 5.952 0.563 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -11.124 3.504 -0.854 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.232 4.729 -1.440 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.598 4.742 -2.131 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -10.508 6.230 -1.968 1.00 0.00 H new ATOM 948 N ALA A 66 -9.243 4.480 3.073 1.00 0.00 N ATOM 949 CA ALA A 66 -8.666 3.447 3.924 1.00 0.00 C ATOM 950 C ALA A 66 -9.687 2.357 4.233 1.00 0.00 C ATOM 951 O ALA A 66 -9.383 1.388 4.926 1.00 0.00 O ATOM 952 CB ALA A 66 -8.139 4.060 5.213 1.00 0.00 C ATOM 0 H ALA A 66 -9.440 5.359 3.551 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.836 2.989 3.386 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.711 3.278 5.839 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.371 4.797 4.978 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.957 4.545 5.746 1.00 0.00 H new ATOM 958 N ASN A 67 -10.899 2.523 3.714 1.00 0.00 N ATOM 959 CA ASN A 67 -11.965 1.553 3.935 1.00 0.00 C ATOM 960 C ASN A 67 -11.845 0.382 2.965 1.00 0.00 C ATOM 961 O ASN A 67 -11.984 -0.778 3.355 1.00 0.00 O ATOM 962 CB ASN A 67 -13.332 2.222 3.778 1.00 0.00 C ATOM 963 CG ASN A 67 -13.688 3.097 4.965 1.00 0.00 C ATOM 964 OD1 ASN A 67 -13.064 3.010 6.023 1.00 0.00 O ATOM 965 ND2 ASN A 67 -14.695 3.946 4.794 1.00 0.00 N ATOM 0 H ASN A 67 -11.167 3.320 3.137 1.00 0.00 H new ATOM 0 HA ASN A 67 -11.869 1.171 4.951 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -13.336 2.826 2.871 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -14.096 1.455 3.653 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -14.979 4.560 5.557 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -15.184 3.984 3.900 1.00 0.00 H new ATOM 972 N TYR A 68 -11.586 0.693 1.700 1.00 0.00 N ATOM 973 CA TYR A 68 -11.449 -0.333 0.673 1.00 0.00 C ATOM 974 C TYR A 68 -10.095 -1.028 0.775 1.00 0.00 C ATOM 975 O TYR A 68 -9.731 -1.835 -0.081 1.00 0.00 O ATOM 976 CB TYR A 68 -11.616 0.282 -0.717 1.00 0.00 C ATOM 977 CG TYR A 68 -13.057 0.526 -1.103 1.00 0.00 C ATOM 978 CD1 TYR A 68 -13.713 1.688 -0.715 1.00 0.00 C ATOM 979 CD2 TYR A 68 -13.764 -0.406 -1.853 1.00 0.00 C ATOM 980 CE1 TYR A 68 -15.030 1.915 -1.064 1.00 0.00 C ATOM 981 CE2 TYR A 68 -15.081 -0.187 -2.208 1.00 0.00 C ATOM 982 CZ TYR A 68 -15.710 0.975 -1.811 1.00 0.00 C ATOM 983 OH TYR A 68 -17.022 1.197 -2.161 1.00 0.00 O ATOM 0 H TYR A 68 -11.467 1.648 1.361 1.00 0.00 H new ATOM 0 HA TYR A 68 -12.231 -1.076 0.830 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -11.074 1.227 -0.754 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -11.158 -0.378 -1.454 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -13.184 2.426 -0.131 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -13.275 -1.318 -2.164 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -15.525 2.823 -0.754 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -15.615 -0.921 -2.793 1.00 0.00 H new ATOM 0 HH TYR A 68 -17.353 0.439 -2.687 1.00 0.00 H new ATOM 993 N VAL A 69 -9.351 -0.710 1.830 1.00 0.00 N ATOM 994 CA VAL A 69 -8.038 -1.304 2.047 1.00 0.00 C ATOM 995 C VAL A 69 -7.845 -1.693 3.508 1.00 0.00 C ATOM 996 O VAL A 69 -8.625 -1.297 4.374 1.00 0.00 O ATOM 997 CB VAL A 69 -6.910 -0.340 1.630 1.00 0.00 C ATOM 998 CG1 VAL A 69 -7.122 0.145 0.204 1.00 0.00 C ATOM 999 CG2 VAL A 69 -6.829 0.833 2.595 1.00 0.00 C ATOM 0 H VAL A 69 -9.636 -0.044 2.548 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.989 -2.199 1.427 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.963 -0.878 1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.316 0.825 -0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.126 -0.709 -0.474 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.076 0.667 0.135 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.027 1.504 2.286 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.776 1.373 2.591 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.626 0.464 3.600 1.00 0.00 H new ATOM 1009 N GLU A 70 -6.800 -2.470 3.775 1.00 0.00 N ATOM 1010 CA GLU A 70 -6.505 -2.913 5.133 1.00 0.00 C ATOM 1011 C GLU A 70 -5.019 -2.765 5.443 1.00 0.00 C ATOM 1012 O GLU A 70 -4.165 -3.099 4.621 1.00 0.00 O ATOM 1013 CB GLU A 70 -6.934 -4.369 5.323 1.00 0.00 C ATOM 1014 CG GLU A 70 -7.170 -4.751 6.775 1.00 0.00 C ATOM 1015 CD GLU A 70 -8.308 -3.972 7.405 1.00 0.00 C ATOM 1016 OE1 GLU A 70 -9.477 -4.360 7.197 1.00 0.00 O ATOM 1017 OE2 GLU A 70 -8.031 -2.976 8.105 1.00 0.00 O ATOM 0 H GLU A 70 -6.144 -2.806 3.070 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.067 -2.283 5.823 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.848 -4.546 4.757 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.168 -5.022 4.904 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.387 -5.817 6.836 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.257 -4.579 7.345 1.00 0.00 H new ATOM 1024 N LEU A 71 -4.716 -2.260 6.634 1.00 0.00 N ATOM 1025 CA LEU A 71 -3.333 -2.066 7.054 1.00 0.00 C ATOM 1026 C LEU A 71 -2.681 -3.398 7.414 1.00 0.00 C ATOM 1027 O LEU A 71 -3.245 -4.192 8.167 1.00 0.00 O ATOM 1028 CB LEU A 71 -3.271 -1.115 8.251 1.00 0.00 C ATOM 1029 CG LEU A 71 -3.694 0.329 7.982 1.00 0.00 C ATOM 1030 CD1 LEU A 71 -3.892 1.079 9.290 1.00 0.00 C ATOM 1031 CD2 LEU A 71 -2.663 1.034 7.112 1.00 0.00 C ATOM 0 H LEU A 71 -5.410 -1.977 7.326 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.784 -1.627 6.220 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.904 -1.517 9.042 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.250 -1.109 8.632 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.643 0.316 7.447 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.193 2.105 9.079 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.667 0.587 9.878 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.958 1.083 9.852 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.981 2.061 6.931 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.699 1.037 7.620 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.570 0.510 6.161 1.00 0.00 H new ATOM 1043 N ARG A 72 -1.491 -3.634 6.873 1.00 0.00 N ATOM 1044 CA ARG A 72 -0.762 -4.868 7.138 1.00 0.00 C ATOM 1045 C ARG A 72 0.256 -4.669 8.257 1.00 0.00 C ATOM 1046 O ARG A 72 0.940 -5.609 8.660 1.00 0.00 O ATOM 1047 CB ARG A 72 -0.054 -5.350 5.870 1.00 0.00 C ATOM 1048 CG ARG A 72 -1.005 -5.691 4.734 1.00 0.00 C ATOM 1049 CD ARG A 72 -0.251 -5.991 3.448 1.00 0.00 C ATOM 1050 NE ARG A 72 0.313 -7.338 3.446 1.00 0.00 N ATOM 1051 CZ ARG A 72 1.486 -7.645 3.989 1.00 0.00 C ATOM 1052 NH1 ARG A 72 2.215 -6.705 4.574 1.00 0.00 N ATOM 1053 NH2 ARG A 72 1.932 -8.894 3.947 1.00 0.00 N ATOM 0 H ARG A 72 -1.011 -2.987 6.248 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.481 -5.624 7.454 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.638 -4.577 5.534 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.543 -6.230 6.109 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.611 -6.554 5.012 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.690 -4.860 4.570 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.924 -5.879 2.598 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.550 -5.263 3.319 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.223 -8.084 3.003 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.876 -5.744 4.608 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.115 -6.943 4.990 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.374 -9.620 3.497 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.833 -9.128 4.364 1.00 0.00 H new